#DEFINITION	Reference Metabolome for Vachellia farnesiana
#IDENTTFIER	RefMeta-Vachellia farnesiana.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Vachellia farnesiana
#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 Vachellia farnesiana 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	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87482	0.9
71.01268	0.2
73.02774	0.1
73.61610	0.1
78.79124	0.2
78.95773	11.6
85.59039	0.1
89.22022	0.2
96.95898	0.2
96.96815	0.5
98.19839	0.2
122.00012	0.3
140.01076	2.4
152.99483	1.8
171.00519	1.2
196.03725	1.2
209.11806	0.3
214.04787	2.8
261.22269	0.4
279.23267	100.0
280.23599	5.8
402.24002	0.2
476.27798	55.2
477.28110	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	997.5861
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57065	15.9
71.01268	3.0
77.28080	1.8
78.95776	29.2
96.95867	3.8
119.10661	2.6
126.73319	2.4
152.99495	43.9
165.60187	2.2
171.00624	11.2
191.92352	2.2
209.11768	6.6
227.03230	3.7
245.04297	56.2
253.21707	27.5
277.21884	2.4
481.25690	100.0
482.26117	8.4
889.28442	2.7
965.54376	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	999.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	11.0
71.56625	0.6
72.99180	1.0
73.02806	1.9
79.65416	0.4
81.03304	0.6
83.01236	1.2
83.04897	0.6
85.02819	2.5
87.00744	2.6
89.02320	7.4
93.03325	0.4
94.92333	0.5
95.01263	0.7
96.95878	8.4
97.02825	2.1
97.06472	0.4
99.00706	0.5
101.02319	6.0
109.06475	1.0
111.08038	7.6
113.02328	4.5
119.03413	2.7
125.02270	2.1
125.09592	0.4
143.03398	1.5
148.73138	0.4
149.04419	0.6
151.11183	1.0
153.12782	0.6
153.97319	0.4
161.04465	1.5
162.58104	0.5
163.11128	0.7
165.12689	1.2
167.10623	0.5
169.12202	4.0
171.10197	2.8
179.05534	2.3
181.12189	1.2
183.13858	0.5
193.12367	0.7
197.11754	38.4
198.12149	1.4
199.13329	2.8
202.75664	0.4
207.10103	0.5
209.11751	3.5
210.12141	0.5
211.13329	6.7
217.07161	0.5
221.06567	1.2
227.12895	2.3
235.08168	2.0
237.77306	0.4
247.20590	1.0
263.07712	0.5
263.20190	2.1
265.18216	0.7
273.18542	1.1
287.07483	0.5
291.19650	17.3
292.20062	1.0
293.21094	1.5
305.08771	0.6
308.19354	0.5
309.20688	100.0
310.21060	4.7
323.10077	0.5
340.22974	0.5
348.55206	0.5
379.12439	1.2
397.13455	21.1
398.13571	0.6
415.14590	13.9
416.14996	1.0
533.73950	0.5
601.41174	2.0
602.41455	0.5
689.33917	1.7
707.35071	4.1
800.52802	0.5
939.22711	0.5
999.55707	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	999.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56960	4.4
71.01253	12.3
72.99187	1.1
73.02800	1.8
81.03333	1.3
83.01266	1.0
83.04871	1.3
83.19124	0.6
85.02821	2.1
87.00727	3.0
89.02319	8.9
95.01273	0.6
96.95884	6.7
97.02829	3.0
97.06458	0.7
99.88435	0.5
101.02322	7.0
111.08044	9.4
113.02331	4.6
119.03378	2.5
125.02325	3.2
125.09576	0.6
127.07565	0.6
132.88246	0.6
137.09599	0.7
141.01851	0.5
143.03427	1.7
151.11140	0.8
153.12770	1.3
161.04459	2.3
163.11205	1.4
165.12720	2.6
169.12228	4.3
171.10172	2.2
179.05472	2.6
181.12270	1.5
183.13799	0.6
191.05547	0.7
197.11757	45.8
198.12019	1.3
199.13332	2.8
201.11325	0.7
207.10193	0.8
209.11745	3.8
211.13313	6.7
221.06622	1.0
225.11284	0.9
225.14903	0.9
227.12833	2.0
235.08162	2.8
247.20609	1.5
263.20090	2.2
265.18039	1.2
273.18600	1.4
287.07697	0.7
289.18051	0.7
291.19672	22.8
292.19769	1.5
305.08652	1.0
309.20694	100.0
310.20981	5.9
323.09787	0.5
327.21939	0.7
333.20480	0.9
379.12479	1.7
397.13498	23.5
398.13638	1.5
415.14523	14.5
601.41052	2.0
689.33795	3.2
707.35065	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	995.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	2.8
71.57912	2.4
83.04927	2.1
85.02821	4.4
88.98671	9.4
89.02296	2.1
93.03342	5.7
96.95885	22.0
101.02328	2.2
107.01279	2.1
108.02078	1.5
109.02849	3.9
111.04390	1.9
119.46864	1.6
125.02349	1.9
132.48927	1.7
133.02837	2.6
134.03661	1.8
135.04411	3.7
137.02312	3.2
145.02820	1.6
151.00310	4.1
153.01817	1.8
159.04417	1.6
169.01387	1.5
173.04440	5.5
175.02263	1.8
178.99792	2.3
179.03455	2.2
185.18245	1.3
191.05559	16.2
211.03882	1.6
227.03464	14.5
237.24165	1.6
243.02963	9.8
255.02937	38.2
256.03439	4.5
257.04456	1.8
271.02484	42.4
272.03061	6.2
275.09174	3.3
283.02594	5.8
284.03259	12.6
285.04025	4.8
285.65021	1.7
287.09717	1.8
289.11258	7.0
300.02722	58.4
301.03427	15.6
489.10388	19.0
505.09863	100.0
506.10016	8.7
901.65454	2.4
903.67920	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	993.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46853	6.3
71.01225	2.6
73.02789	1.8
81.03340	0.7
83.01253	11.8
85.02790	1.1
89.02292	0.8
90.82272	0.6
93.03307	3.0
95.01224	2.5
96.95869	2.0
107.01266	31.5
108.01470	0.9
109.02805	1.5
111.00791	0.9
121.02837	1.4
123.00774	1.9
123.04366	1.6
124.00778	0.8
124.01561	9.8
125.02370	4.6
131.01233	0.9
133.02760	2.2
135.00729	0.9
137.02299	2.5
139.00224	1.2
145.02747	0.8
147.00740	0.8
149.02309	2.5
150.03131	1.7
151.00272	86.8
152.01068	23.6
153.01845	17.7
159.04274	0.7
161.02214	1.0
163.00223	2.9
165.05418	1.2
168.99959	1.4
169.01344	19.2
169.02763	1.0
170.03514	0.7
175.00311	3.4
175.03836	1.8
177.01756	1.4
178.99780	81.9
180.00098	3.2
181.01295	3.1
182.49101	0.8
183.04388	1.2
183.80902	0.6
185.02353	1.1
187.03931	0.9
190.99670	0.8
191.03574	0.9
191.05492	2.6
192.00574	3.9
192.80627	0.7
193.01323	8.1
197.02339	1.4
198.03094	1.0
199.03804	1.9
201.01706	0.9
203.03380	3.2
205.01344	1.3
209.11737	0.9
211.03961	1.9
213.01924	0.9
214.02570	2.1
215.03448	1.4
219.02817	1.4
225.01849	1.9
226.02605	4.0
227.03439	7.9
228.04100	1.8
229.01379	1.5
229.04921	0.9
233.81113	0.8
237.01826	3.0
238.02467	0.7
239.03317	2.5
241.01439	1.5
242.02142	1.2
243.02927	1.3
244.03687	1.4
251.03387	1.0
253.01442	4.6
254.02122	7.5
255.02943	8.9
256.03549	1.4
257.00861	0.9
266.02142	1.6
267.02948	2.5
268.00089	1.7
268.03683	1.3
269.00961	6.5
269.03738	1.0
270.01505	2.0
271.02478	5.7
279.02792	1.4
281.00851	2.9
281.04236	0.8
282.01611	2.8
283.02420	2.8
284.03110	1.9
285.03937	2.3
286.93558	0.9
287.06903	1.0
291.02924	1.0
295.02377	2.5
299.01862	3.7
300.02518	1.4
311.01932	1.6
314.05811	1.0
315.06381	0.9
317.04446	1.8
319.02457	0.9
319.05984	1.0
329.04416	2.1
330.05295	0.9
331.06064	2.9
333.07520	2.6
335.05469	1.1
341.03775	0.8
343.06049	1.7
345.03979	2.2
346.04553	1.2
347.05624	3.7
357.03931	1.2
358.04721	1.7
359.05603	4.2
361.03378	1.6
361.07245	2.4
363.04871	2.1
365.02924	1.6
371.05438	1.0
373.03201	1.9
374.04291	1.0
375.05072	6.3
377.06610	2.1
386.04532	0.9
387.05243	3.9
388.05841	2.8
389.02115	7.1
389.07285	9.4
391.04495	2.5
393.06094	2.1
402.03790	5.0
403.04541	31.5
404.05069	4.2
405.06238	8.5
406.02875	1.7
407.04092	7.5
415.04825	3.8
416.01746	1.0
417.02240	1.3
429.02176	1.1
431.03961	1.6
432.05054	1.1
433.01563	2.4
433.05762	2.3
447.03494	1.4
453.06076	1.0
468.07236	0.8
535.19116	0.9
566.04651	1.4
567.05707	9.7
568.05951	1.7
583.21594	1.8
585.06726	40.9
586.06946	5.1
607.10779	1.5
637.10840	1.2
747.12042	1.7
771.12030	3.6
789.13037	100.0
790.13281	11.6
841.18408	1.0
951.18915	1.2
993.19360	58.6
994.19879	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	993.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01242	6.1
71.57289	1.8
83.01262	10.6
85.02815	3.2
87.45159	1.6
89.02280	1.8
93.03339	4.6
95.01279	2.1
96.95890	18.3
98.95487	2.3
101.02342	4.5
107.01265	23.4
109.02798	2.4
123.04346	2.6
124.01522	7.8
125.02321	5.5
130.92558	2.2
137.02365	3.1
141.03954	1.8
141.05251	1.7
151.00279	62.5
151.01497	3.5
152.01076	22.4
163.00201	3.5
169.01360	20.9
173.04518	2.1
175.00275	2.0
175.03934	5.2
178.98190	3.8
178.99779	76.7
180.00142	3.6
190.99843	2.2
191.05463	11.9
192.00505	7.1
193.01274	11.3
198.03212	2.5
199.04012	2.6
203.03450	6.5
211.03979	2.4
215.03467	2.4
226.02623	7.6
227.03389	10.0
228.04164	3.6
237.01988	4.6
239.03288	3.1
241.01404	3.6
243.02867	4.7
253.01344	7.1
253.08603	3.6
254.02174	12.0
255.02975	12.7
256.03674	3.8
262.18079	2.1
267.03061	4.0
269.00873	4.7
271.02481	8.5
281.00970	5.5
283.02420	4.5
284.03085	2.4
285.03973	2.3
295.02539	2.9
300.02640	4.8
303.09045	4.4
321.04193	2.3
321.10205	5.5
331.05963	3.1
333.04041	2.7
359.05637	4.3
361.07227	4.9
364.01849	2.2
377.06924	3.4
387.05164	2.6
389.02145	11.3
389.07278	14.4
393.06064	2.5
403.04407	3.0
405.06329	11.8
407.04031	12.0
409.78296	1.9
411.23499	2.3
415.04630	5.9
433.01724	4.6
443.19250	8.2
444.19339	3.0
447.03754	2.4
490.19388	2.2
515.09546	2.2
567.05542	13.8
585.06519	18.1
611.09979	3.6
771.11884	5.2
789.13074	95.2
790.12885	13.4
879.84601	2.2
961.31836	2.1
993.19409	100.0
994.19073	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	987.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94659	0.2
71.01281	0.2
72.67695	0.2
83.01263	0.3
83.04866	0.2
93.03330	0.8
97.06448	1.1
97.47633	0.2
98.19772	0.7
107.01279	1.6
108.02048	0.8
109.02823	0.7
111.04415	0.7
118.46508	0.2
121.02815	0.9
122.91517	0.3
123.60222	0.2
125.02308	0.3
133.02838	0.7
134.03630	20.3
135.00731	0.6
135.04463	2.9
137.02318	0.3
143.05005	0.2
143.31537	0.2
148.01544	0.8
150.99115	0.4
151.00279	5.7
155.03378	0.6
159.04492	0.3
163.00227	1.1
164.01039	0.4
165.01892	0.3
169.01300	0.6
173.04483	1.2
177.01833	0.8
178.02611	2.9
178.99785	2.5
179.03394	0.7
187.03976	0.3
191.05516	0.8
199.03850	0.4
201.05508	0.2
211.03888	0.4
215.03503	0.3
216.04179	0.5
226.02609	1.1
227.03418	1.9
228.04027	0.3
231.10150	0.7
241.77660	0.3
243.02951	7.6
244.03389	0.4
245.04500	0.5
254.02191	1.8
255.02962	18.2
256.03326	1.0
267.67685	0.2
271.02466	44.3
272.02957	2.9
273.03928	0.3
275.09219	1.4
283.02591	0.6
299.02026	0.9
300.02734	77.3
301.03436	17.4
302.03925	0.8
307.11862	18.3
308.12112	0.7
343.04822	0.3
463.08969	2.0
481.17188	5.3
482.17618	0.4
505.09879	100.0
506.10266	6.8
563.58820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5789
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	0.3
78.95778	12.9
81.39780	0.2
83.04904	0.4
95.87732	0.3
96.96835	0.7
97.11945	0.2
98.19781	0.9
122.00024	0.4
140.01067	2.3
152.99449	2.3
171.00595	1.2
196.03743	1.3
209.11812	0.2
214.02956	0.5
214.04805	3.5
230.20660	0.3
233.22678	0.5
245.94604	0.3
259.20837	0.3
275.20117	0.4
277.21707	100.0
278.22058	5.7
333.24149	0.3
364.30447	0.3
442.42639	0.3
474.26236	62.6
475.26593	4.9
556.13043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87991	0.4
69.03330	0.7
71.01257	1.8
71.57443	0.7
72.32413	0.5
73.02831	0.9
83.01254	12.9
83.01759	0.7
85.02817	1.3
85.71277	0.4
89.02352	1.2
93.03331	1.8
95.01283	2.1
96.95898	1.6
101.02303	1.0
107.01270	30.7
109.02811	2.3
111.00722	1.1
113.02320	1.3
121.02831	0.9
123.00775	2.0
123.04452	1.3
124.01559	9.1
125.02344	3.6
131.01326	0.7
133.02873	0.8
135.04396	1.0
136.01579	0.9
137.02330	1.8
139.00301	0.8
141.01897	0.5
149.02350	2.5
150.03162	2.6
151.00270	78.0
151.71219	0.6
152.01067	19.7
153.01840	22.4
154.02191	0.9
157.02798	0.6
161.02417	1.1
163.00279	3.7
163.04002	0.6
164.01070	0.5
165.01907	0.6
165.05515	2.9
165.54607	0.5
167.03423	1.0
169.01329	17.5
170.01656	0.7
173.02350	0.8
175.00317	3.2
175.03848	0.8
177.01848	1.7
178.99777	63.1
180.00110	1.7
181.01390	3.4
186.03098	0.7
187.03947	0.8
190.99770	1.3
191.05508	2.5
192.00551	0.9
193.01329	4.8
195.02892	0.7
195.04803	0.5
195.06595	1.6
198.03143	0.8
199.03857	1.1
205.01370	0.5
211.03911	1.7
213.01804	1.7
214.02599	0.9
215.03409	0.9
217.01314	1.1
222.11674	0.6
225.01865	1.6
226.02631	2.2
227.03447	4.3
228.03984	0.6
229.01285	0.6
241.01469	1.4
242.02173	1.1
243.02904	1.1
253.01430	2.9
254.02228	3.1
255.02997	6.1
256.03625	1.4
266.02136	0.7
267.02960	1.5
268.00189	1.2
269.00894	6.6
270.01489	1.3
271.02463	4.7
275.07056	0.7
281.00830	1.8
282.01666	2.9
283.02457	2.3
284.03156	0.9
285.03922	1.1
295.02524	1.7
296.03091	0.7
298.01239	0.7
299.01846	3.3
300.02768	1.3
302.05777	0.6
303.06525	1.6
311.01974	0.9
313.04788	0.7
314.00848	0.6
314.05875	1.2
315.06491	0.7
316.03821	0.7
317.04373	1.4
318.05057	0.6
319.06076	0.9
329.04504	1.5
330.05219	1.6
331.05887	2.6
333.03937	1.1
333.07678	0.8
343.06064	0.8
345.03821	2.7
346.04620	0.8
347.05566	3.6
357.04065	1.2
357.08368	0.8
357.13132	0.6
358.04749	1.6
359.05618	3.1
361.03345	0.9
361.07434	1.1
371.05399	0.6
373.03592	1.6
374.04047	1.2
375.05099	8.0
376.05542	1.0
377.06686	1.6
385.07730	0.7
386.04385	1.2
387.05182	4.4
387.14578	0.9
388.05917	1.7
389.02518	0.5
389.06760	5.5
391.04407	1.1
393.06381	1.0
402.03671	4.2
403.04541	39.1
404.05103	4.3
405.06116	4.7
415.04553	4.2
419.03912	0.7
431.04037	2.9
432.04904	2.0
433.05746	3.4
434.06094	0.6
447.09149	1.1
457.05692	0.7
459.03595	1.2
481.05646	0.6
495.06662	0.6
521.05402	0.7
535.19861	1.9
538.05255	0.6
539.06012	0.8
566.04669	1.4
567.05670	3.9
568.06012	0.9
583.21973	4.0
585.06702	53.9
586.07281	5.1
607.10773	1.5
627.08026	2.6
637.11652	1.1
729.10883	1.9
730.11078	0.6
747.12000	2.6
770.10895	0.5
771.12439	2.6
772.11145	0.7
789.13037	100.0
790.13477	15.9
831.13507	0.6
841.17853	1.0
951.18213	0.8
993.19312	25.8
994.19550	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	985.5741
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.8
70.01082	2.7
71.01257	16.2
72.99170	2.0
73.02827	2.6
78.68945	0.4
78.95776	1.0
81.03326	1.0
83.01252	1.7
84.02060	0.9
85.02818	9.8
87.00751	3.3
87.02286	0.5
89.02316	12.4
95.01251	1.0
95.04897	1.1
96.95908	1.3
97.02827	4.0
97.06478	2.8
98.20446	0.6
99.00725	0.9
101.01696	0.7
101.02323	10.7
101.02983	0.5
113.02333	7.0
116.92715	0.8
118.51460	0.6
119.03394	3.4
125.02342	4.3
125.05986	0.9
125.09715	0.5
127.11188	0.4
134.21512	0.5
137.09596	1.8
143.03394	2.1
152.99475	1.0
161.04425	3.0
167.14342	0.6
171.10187	17.1
179.05524	3.8
183.13826	8.8
185.04430	0.4
193.12201	0.6
195.13840	1.4
197.11710	2.4
199.06079	0.5
201.11243	1.2
209.11763	0.7
211.13344	8.6
217.07008	0.7
221.06601	1.3
221.11723	0.6
229.14326	3.4
233.15271	0.6
235.08177	5.0
245.04282	0.8
251.16545	1.4
253.09309	1.1
253.21768	0.6
263.07742	0.5
269.17548	0.9
277.21713	28.2
278.22150	2.2
287.07727	1.0
291.19675	3.3
291.22665	0.5
292.20108	0.5
293.21216	1.7
294.21396	0.7
295.22781	5.9
296.23071	0.5
305.08792	1.5
309.20712	13.7
310.20975	1.1
311.22278	2.1
323.09924	0.6
327.21750	100.0
328.22101	7.3
379.12491	0.7
397.13504	49.6
398.13660	2.8
415.08963	1.0
415.14532	16.5
415.19885	0.9
416.14996	1.0
481.25665	1.4
525.15527	0.6
546.75946	0.5
587.43378	2.0
588.43317	0.6
675.35797	3.3
707.34979	4.2
708.35742	0.7
720.30530	0.6
725.35718	3.3
985.57208	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	985.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	0.3
70.81948	0.2
71.01249	3.6
71.04889	0.2
71.56651	0.2
71.57107	0.2
72.99214	0.3
73.02808	0.8
81.03348	0.2
83.01289	0.4
83.04908	0.5
85.02810	1.0
87.00784	0.6
87.47339	0.1
89.02312	2.9
89.02805	0.3
89.46012	0.1
93.03326	0.3
95.01254	0.3
95.04913	0.3
96.95902	0.3
97.02831	0.7
97.06480	0.4
98.03635	0.2
99.00779	0.4
101.02324	2.9
107.08577	0.2
109.06505	0.5
111.04430	0.2
111.08027	1.5
113.02315	1.3
113.05998	0.2
113.09595	0.2
114.21838	0.2
119.03431	0.6
119.04991	0.2
120.05798	0.2
123.08054	0.2
125.02325	1.2
125.09629	0.8
127.07553	0.3
127.11171	1.1
129.09152	0.2
137.05962	0.2
137.09631	0.5
139.07570	0.4
139.11201	0.4
141.09100	0.3
141.12804	0.3
143.03427	0.5
143.10686	0.2
149.09679	0.4
149.45236	0.2
151.03973	0.3
151.07477	0.7
151.11168	0.7
152.08374	0.5
153.09122	0.6
153.12744	2.6
155.10706	1.1
161.04411	0.7
161.09653	0.2
163.11221	0.4
165.09137	0.3
165.12769	0.5
167.10675	1.3
169.12222	0.9
171.10210	0.3
179.05553	0.6
179.10710	0.6
179.14322	1.5
181.12245	2.5
193.08575	0.1
193.12294	0.2
193.15894	1.5
195.13737	0.2
197.11734	1.4
199.09624	0.2
199.13324	0.9
200.10492	0.3
201.11261	0.4
203.05681	0.2
207.10292	0.2
207.13864	1.7
209.11923	0.8
209.15422	0.8
210.12161	0.2
213.14778	0.2
215.12869	1.3
219.17511	0.4
221.06532	0.2
225.30946	0.2
226.12022	0.3
227.12799	1.1
228.13544	0.6
231.17380	0.3
235.08180	1.3
237.22276	0.2
238.85780	0.2
241.14471	0.2
245.18904	0.2
247.20657	3.5
248.21016	0.4
252.09955	0.3
253.09361	0.5
254.15350	0.2
263.20105	0.4
265.18262	0.3
265.21649	1.0
273.18576	2.0
277.21698	7.5
278.22015	0.7
281.21204	1.4
287.07675	0.5
289.18240	0.2
291.19641	19.9
292.20001	1.5
305.08643	0.6
307.19040	0.4
308.19440	0.5
309.20676	100.0
310.21027	7.5
323.09741	0.2
379.12296	0.2
397.13474	13.6
398.13947	1.0
399.13824	0.3
415.14560	4.5
416.14688	0.4
653.17938	0.2
675.35748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5739
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	1.5
71.00886	1.2
71.01254	13.4
72.99158	1.1
73.00784	0.6
73.02807	0.9
78.95770	8.6
81.03328	0.6
83.01248	1.5
83.04853	0.7
84.02054	0.7
85.02824	10.8
87.00752	3.1
89.02319	10.9
95.01271	1.5
96.95886	1.5
96.96868	0.7
97.02826	3.1
97.06460	2.6
97.56840	0.5
98.20544	2.3
99.00754	1.1
101.02324	11.2
111.08048	0.8
113.02337	5.8
113.73698	0.5
119.03394	3.3
125.02348	4.2
131.03415	0.6
135.84872	0.6
137.09631	1.8
143.03447	1.5
152.99490	11.3
161.04457	1.9
171.00589	3.4
171.10190	15.6
177.12808	0.9
179.05495	4.2
183.13852	9.2
192.18033	0.6
193.12254	0.8
195.13815	2.9
197.11653	1.5
201.11269	1.2
202.76030	0.6
209.11804	1.1
211.13361	10.7
212.13663	0.6
221.06595	2.6
221.11746	1.6
223.13327	1.0
229.14439	4.4
229.85493	0.8
235.08240	4.0
239.12808	1.2
239.16409	0.8
245.04285	13.7
251.16537	2.3
253.09315	1.2
253.21664	4.9
263.07779	0.7
275.19977	0.7
277.21725	18.9
278.22092	1.9
287.07748	1.3
291.19589	4.8
293.21252	12.0
294.21558	1.0
295.22763	6.4
305.08838	2.0
309.20691	14.7
310.21191	1.0
311.22256	11.2
323.09857	0.9
327.21756	100.0
328.22073	8.1
379.12531	0.9
397.13489	29.4
398.13757	3.1
415.14557	18.6
416.14597	1.0
481.25711	24.9
482.26007	2.7
587.43079	2.6
642.89160	0.7
675.36151	0.8
707.34717	5.5
725.36017	4.7
726.36731	0.8
985.51324	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	973.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	0.6
71.57489	0.7
83.04896	0.7
85.02831	4.4
87.00739	0.7
93.03332	7.1
97.06451	1.5
98.72443	0.5
105.03380	1.0
107.01272	2.2
108.02085	1.7
109.02822	1.5
111.00752	0.8
111.04426	3.1
121.02859	2.4
126.99915	0.5
133.02843	8.2
134.03635	34.7
135.04437	13.2
136.04759	0.6
137.02330	6.4
139.03917	1.7
147.02913	0.7
148.01588	1.4
151.00256	6.9
155.03398	2.1
162.03201	1.1
163.00316	1.5
164.01065	1.0
169.01410	0.7
173.04469	13.8
177.01863	9.2
178.02638	28.2
178.99849	2.6
179.03418	11.2
180.03651	0.6
191.01903	2.5
191.05498	3.3
192.00548	0.7
199.04002	0.8
203.03348	0.7
215.03494	0.7
226.02629	1.4
227.03404	2.5
228.03986	0.7
231.10196	3.6
243.02902	9.3
245.04477	1.0
254.02309	1.5
255.02983	22.2
256.03345	1.5
271.02469	55.3
272.02945	3.9
275.09238	12.2
276.09555	1.1
280.00989	0.6
283.02396	1.0
293.10318	26.1
294.10739	0.8
299.01953	1.2
300.02747	83.7
301.03442	20.2
302.03888	0.6
311.26129	0.5
437.14130	0.6
449.14597	3.4
463.08841	1.6
465.13632	0.9
467.15601	40.9
468.15906	3.5
505.09885	100.0
506.10165	9.5
955.71350	0.6
995.37921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35044	1.6
73.04795	0.2
78.95773	31.0
96.96851	2.5
97.48701	0.2
150.97893	0.5
152.99486	43.3
153.99808	0.5
171.00554	12.9
209.11771	0.4
227.03215	2.7
245.04282	58.3
246.04657	1.2
253.21696	25.4
254.22000	1.3
255.23349	0.5
314.63400	0.2
341.38956	0.2
377.66324	0.2
480.30688	0.2
481.25687	100.0
482.26062	7.5
685.77814	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	983.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03368	1.5
69.41875	3.3
71.01251	17.3
72.99215	1.5
73.02828	2.2
79.95646	0.9
81.03353	0.7
83.01292	1.6
83.04920	1.0
85.02819	4.3
87.00751	3.3
89.02312	12.8
95.01319	1.4
95.04931	0.6
96.95886	23.8
97.02833	4.2
97.06520	0.8
99.00794	0.9
101.02318	10.5
107.94092	0.5
109.06460	0.6
111.04422	0.6
111.08040	6.0
111.08660	0.5
113.02332	6.2
113.09573	0.5
117.84848	0.4
119.03383	3.4
125.02329	4.3
125.42412	0.5
131.03398	1.2
137.09705	0.7
141.01790	0.6
141.27904	0.5
143.03429	1.7
161.04466	3.4
163.11237	0.7
165.12772	1.3
167.10666	0.6
169.12241	2.8
171.10144	3.1
177.38478	0.5
179.05525	4.8
179.14330	0.6
181.12305	0.9
183.13945	0.8
195.13853	7.8
196.14429	0.6
197.11761	28.1
198.12183	1.1
199.13280	1.1
205.12297	0.7
205.15967	0.6
207.13846	1.3
209.11774	1.6
211.13322	4.5
221.06651	1.7
223.13313	6.2
225.15004	1.1
227.12901	2.2
228.13628	0.9
231.21124	0.6
235.08171	3.5
243.86823	0.4
247.20747	1.2
248.93333	0.5
253.09227	1.3
256.13120	1.1
263.16577	0.6
263.20099	1.3
265.18094	1.0
273.18784	1.2
275.20099	5.9
277.21729	1.2
287.07687	0.9
289.18158	1.9
291.19653	16.2
292.19989	1.5
293.21222	100.0
294.21594	6.4
295.22565	0.5
305.08878	0.9
309.20694	73.2
310.21030	4.3
323.09708	1.3
363.29758	0.5
379.12305	2.3
397.13477	34.5
398.13806	2.2
415.14548	20.4
416.15121	1.2
420.77710	0.5
585.41455	3.5
673.33618	1.2
689.33734	1.2
691.35834	2.5
707.34296	1.6
921.51392	0.7
947.53259	1.4
948.52856	0.5
983.56512	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	971.5942
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49425	0.2
68.99694	0.3
69.03311	1.1
69.31377	2.2
69.31790	0.5
71.01251	16.4
72.99181	1.4
73.02818	3.0
73.32813	0.2
75.00736	0.5
79.62517	0.2
81.03327	0.8
83.01244	2.4
83.04895	0.4
85.02817	4.1
87.00742	3.8
89.02313	14.3
93.03343	0.3
95.01246	1.1
95.04913	0.3
96.69303	0.3
96.95867	0.7
97.02833	3.1
97.06486	0.2
99.00764	1.2
99.04388	0.5
101.02318	13.3
102.02659	0.3
109.02808	0.4
111.00761	0.5
111.04396	0.4
111.08009	0.3
113.02328	6.0
113.09655	0.4
115.03934	0.3
119.03382	4.4
121.02714	0.3
125.02329	7.0
131.03392	0.5
133.04956	0.6
139.03854	0.6
143.03395	2.2
149.04430	0.5
161.04465	3.0
167.03412	0.6
167.10713	0.4
169.04948	0.4
171.02774	0.2
179.05525	3.4
179.14336	0.9
181.12212	0.4
185.04619	0.2
195.13831	8.1
196.14412	0.6
199.06004	0.3
204.88844	0.3
205.12265	0.8
205.16000	0.3
211.13414	0.6
221.06590	1.0
223.13341	6.2
224.13814	0.4
228.13620	0.9
231.20996	0.4
235.08203	7.0
245.06628	0.3
249.22205	0.3
253.09148	1.4
256.13174	1.3
261.22198	0.4
263.07645	0.6
265.21741	0.5
275.20108	4.2
277.09317	0.6
279.23273	48.0
280.23630	3.1
287.07703	2.6
293.21210	100.0
294.21533	5.8
305.08752	2.7
323.09799	1.1
338.83841	0.3
397.13467	71.1
398.13849	2.9
415.14548	23.5
416.14841	0.9
549.63501	0.3
677.37366	3.5
678.38068	0.6
1001.89874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.261
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15228	0.4
71.01241	0.6
81.36124	0.4
83.04916	0.9
85.02826	2.4
93.03336	4.9
96.95856	0.6
97.06457	1.8
105.03300	0.8
107.01254	1.8
108.02032	0.9
109.02818	1.2
110.74383	0.4
111.04391	1.9
115.06573	0.4
121.02809	1.9
123.04361	0.5
127.03927	0.6
133.02858	7.0
134.03632	27.6
135.00771	0.6
135.04424	13.5
137.02347	4.5
139.03889	1.7
148.01532	0.7
150.03076	0.6
151.00278	4.8
151.03871	0.6
155.03375	2.5
157.12778	0.4
162.03065	0.5
163.00238	1.5
163.03784	0.4
169.01355	0.4
173.04462	12.5
177.01845	8.8
177.03381	0.3
178.02631	26.8
178.99812	2.8
179.03404	10.2
187.39134	0.4
191.01842	0.8
191.05560	3.4
199.03944	0.5
203.03545	0.5
226.02637	0.9
227.03479	2.1
231.10236	3.4
232.10545	0.5
243.02950	6.9
245.04388	0.6
254.02235	2.2
255.02968	18.6
256.03253	0.7
271.02463	41.1
272.02869	2.9
275.09253	12.6
276.09631	1.4
283.02451	0.7
293.10312	25.6
294.10577	1.0
299.01883	1.1
300.02731	76.8
301.03452	19.2
302.03772	1.2
339.53531	0.5
343.83057	0.4
385.41473	0.4
423.13229	0.5
437.14273	0.6
449.14554	2.5
463.08755	1.0
466.14096	0.8
467.15552	45.1
468.15860	2.8
470.21542	0.5
505.09872	100.0
506.10028	7.0
507.10120	0.8
871.60144	0.4
879.85706	0.5
912.29224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	3.2
69.69834	6.1
71.01251	38.2
71.86930	1.1
72.99167	3.2
73.02818	15.9
75.00747	1.6
79.95656	1.1
81.03347	1.6
83.01260	10.2
85.02818	22.6
87.00743	5.5
89.02316	9.5
93.03345	1.0
93.12463	0.9
95.01263	6.2
95.04814	1.1
96.95885	5.2
97.02828	7.0
99.00770	8.9
99.04423	1.3
101.01691	1.9
101.02321	28.4
109.02807	2.0
111.00750	3.4
113.02325	28.3
116.92747	3.8
119.03408	1.8
124.01531	1.1
125.02321	9.7
131.03352	1.4
137.02307	1.2
142.02649	1.1
143.03372	6.3
159.02892	1.8
161.04462	10.7
167.03268	0.9
171.10223	1.3
191.05501	2.1
201.11180	1.9
203.05530	1.3
207.05096	1.5
207.10121	1.4
209.11771	4.9
213.14937	2.4
221.06612	1.3
227.05461	0.9
227.12782	1.6
287.07840	1.7
304.73297	1.0
318.84695	1.0
338.18073	1.0
357.28000	1.3
359.29535	3.9
391.28592	2.4
397.13327	2.4
402.09842	1.1
415.14047	1.3
453.29010	1.0
503.33542	1.8
521.34729	6.6
553.33813	6.1
554.34546	1.1
563.35736	6.4
570.98688	1.0
595.34955	6.1
595.43811	1.1
617.40643	1.0
665.39124	13.1
666.38556	1.3
683.40308	2.5
707.40100	23.4
708.40326	2.4
725.41089	11.9
739.38739	3.6
761.44116	1.0
767.42328	6.0
773.45361	1.5
779.45703	7.0
797.47040	7.6
821.46783	18.0
822.47321	3.0
839.47992	100.0
840.48273	12.7
857.45435	1.2
881.49011	12.5
882.49347	2.6
969.47284	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	969.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	22.7
71.57111	4.1
73.02815	5.4
81.03275	3.3
83.04906	5.3
85.02835	6.0
87.00741	7.5
89.02313	13.8
96.95906	17.5
97.02793	4.5
101.02319	11.1
113.02319	10.4
119.03371	5.9
121.02853	3.6
125.02351	5.2
162.70154	3.2
164.69914	4.4
171.10141	9.2
191.05501	5.9
197.11674	5.6
209.11783	78.8
227.12848	14.3
235.08101	4.1
275.20239	7.8
293.21234	100.0
294.21631	5.7
379.12448	5.0
397.13516	49.2
415.14481	13.8
589.25317	7.4
607.25824	15.1
673.34406	7.2
691.35352	4.7
839.47351	4.5
881.48669	4.3
882.47681	5.7
969.47821	52.3
970.48145	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	971.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	30.4
71.57548	1.8
72.99142	2.2
73.02811	8.2
75.00757	2.4
83.01255	7.6
85.02829	15.0
85.06459	5.0
87.00744	3.8
89.02330	6.8
93.03362	3.5
95.01255	3.6
96.95896	11.1
97.02806	4.6
99.00732	5.7
101.02325	15.9
109.06525	1.8
111.00707	3.2
113.02329	12.8
116.92675	2.1
123.41107	1.7
125.02289	5.3
152.27248	2.1
161.04425	2.2
171.10194	3.9
177.38232	1.6
179.05495	2.3
191.05524	5.4
197.11758	2.6
199.09621	2.1
201.11229	6.0
207.10146	5.9
209.11766	7.0
221.15390	4.3
225.11234	5.3
236.10490	3.3
291.19659	4.0
293.21304	10.3
309.20599	2.6
311.22379	2.9
397.13388	7.2
415.14697	4.1
431.38824	2.7
473.36185	1.8
475.37875	27.8
476.38535	3.3
529.39276	2.3
619.41791	13.8
637.43286	19.7
638.43549	3.0
661.43707	2.8
679.44238	16.5
680.44885	2.4
781.47412	4.0
823.48309	29.2
824.48529	7.7
841.33148	3.0
841.49408	50.7
842.49487	9.5
873.43860	2.3
883.50671	100.0
884.50891	22.6
899.46747	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	969.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	100.0
71.58170	3.6
72.99179	6.4
73.02818	35.5
75.00759	2.7
81.03325	2.7
83.01250	18.7
85.02822	47.2
85.99973	4.9
87.00751	9.0
89.02310	33.9
95.01267	8.9
96.95890	10.7
97.02819	4.3
99.00772	9.1
99.04408	4.2
101.02316	59.8
109.02833	4.0
113.02328	61.8
113.03066	4.7
116.92737	6.8
119.03416	11.1
124.01504	2.8
125.02359	7.7
127.03950	3.1
129.01822	2.6
131.03391	4.8
133.02895	5.0
135.04460	4.8
136.43863	2.6
139.07466	3.5
143.03397	11.6
149.04440	3.6
159.02956	3.9
161.04466	46.0
171.10197	4.9
179.05533	7.5
185.08107	7.4
191.05556	7.7
201.11343	2.9
203.05540	6.0
207.05058	5.7
209.11765	9.6
215.61736	2.5
227.12883	2.8
250.96062	2.2
275.11353	21.0
309.20694	3.0
317.12503	15.9
362.46481	2.9
397.13504	3.4
503.33240	3.4
521.34875	22.1
522.34906	3.3
531.36462	2.7
563.36243	9.3
599.39746	9.4
617.40253	11.3
618.41699	3.3
635.40790	2.7
659.41986	6.2
761.44775	17.5
779.45886	29.2
780.46277	4.7
797.46613	12.3
821.46564	27.9
822.46417	3.0
839.47949	49.0
840.48706	7.3
881.49219	22.3
882.49463	4.2
909.33624	2.8
969.39709	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	969.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21478	2.8
69.03335	4.4
71.01254	83.2
72.99202	4.0
73.02827	30.5
75.00744	3.3
83.01272	14.5
85.02826	47.5
85.99970	6.9
87.00746	38.3
89.02314	18.5
93.99365	3.1
95.01276	7.5
96.95882	15.3
97.02798	6.9
99.00751	17.5
101.02318	51.3
109.02863	3.2
111.00760	4.5
113.02332	50.6
116.92744	5.2
119.03432	7.9
119.51501	3.7
125.02338	8.5
129.01871	3.8
135.04398	4.2
137.09605	3.7
143.03459	7.1
153.09047	3.6
155.10759	4.9
159.02914	4.2
161.04408	15.6
163.11160	3.0
171.10147	4.7
179.05595	3.0
191.05568	8.5
201.11288	3.4
207.05095	3.5
209.11784	10.4
220.58139	2.9
227.12694	4.1
347.51923	3.2
397.13470	8.2
455.35431	6.6
473.36087	4.1
599.39282	4.6
611.32776	3.7
617.40521	4.1
635.41272	3.5
659.42218	4.3
673.43463	5.2
689.42810	5.9
703.44049	3.6
733.45911	3.9
761.44781	100.0
762.45300	12.3
779.45819	98.1
780.46356	14.6
797.47028	24.7
821.46875	71.1
822.47400	12.3
839.48010	75.5
840.47455	7.3
881.48785	21.8
882.48798	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	967.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	5.1
71.01253	69.4
71.28516	1.7
71.28864	2.6
72.99171	2.5
73.02817	24.8
75.00736	3.8
81.03325	2.2
83.01254	20.5
85.02818	43.0
87.00737	7.1
89.02313	10.6
95.01263	9.1
96.95899	12.5
97.02831	10.6
98.71267	1.4
99.00759	12.8
99.04388	1.9
100.03217	1.4
101.02318	48.5
101.15470	1.3
102.02764	1.5
109.02842	1.5
111.00764	4.6
113.02333	36.1
116.92719	1.9
121.02835	1.4
122.23180	1.6
125.02345	14.1
129.83049	1.3
137.02364	2.7
141.01846	1.6
143.03406	11.3
159.02881	3.5
161.04431	10.6
167.03377	1.9
171.10146	2.4
174.76375	1.7
181.42014	1.4
191.05516	1.6
197.11665	1.5
203.05498	3.2
209.11736	5.4
210.12073	1.5
221.06612	2.4
261.26080	1.4
356.50366	1.7
397.13275	1.5
464.91235	1.4
601.51868	1.6
633.43658	6.0
675.44714	2.2
717.45551	2.3
741.45813	1.9
777.48035	18.2
778.47693	3.5
795.48779	11.9
819.48920	20.5
820.48810	3.1
837.50018	97.9
838.49982	12.2
879.51086	100.0
880.51794	13.9
913.59778	1.6
967.52600	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	967.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	0.6
71.01251	8.5
72.99167	0.6
73.02820	1.1
78.95766	2.0
81.03365	0.3
82.79182	0.2
83.01251	0.7
85.02820	1.9
85.99983	0.2
87.00744	2.3
89.02317	5.3
93.03358	0.2
94.36715	0.2
95.01265	0.6
96.95899	1.2
97.02827	1.2
98.19752	0.4
99.00763	0.7
101.02317	5.2
111.04439	0.2
111.08006	0.3
113.02329	3.3
113.09566	0.2
119.03359	1.5
125.02342	2.0
131.03413	0.2
137.02367	0.3
139.03900	0.2
141.01826	0.2
143.03406	1.1
152.99486	3.3
161.04497	1.2
167.10666	0.4
171.00548	0.3
171.10155	0.5
177.12816	0.2
179.05498	1.8
179.10728	0.2
179.14348	0.6
192.38835	0.2
195.13823	7.9
196.14427	0.6
201.11310	0.3
205.12306	0.8
205.15807	0.4
207.10214	0.3
209.11768	1.0
211.13322	0.6
217.07123	0.2
221.06583	0.7
223.13344	5.6
224.13785	0.3
225.11365	0.3
225.14944	0.4
227.03227	0.6
227.12953	0.3
228.13583	0.7
231.21153	0.5
235.08142	2.1
245.04251	0.4
253.09132	0.7
255.23253	19.6
256.13077	1.2
256.23627	1.3
265.21783	0.4
275.20145	5.1
276.20523	0.4
287.07828	0.4
293.21201	100.0
294.21524	5.5
305.08731	0.7
309.20624	0.4
317.21280	0.4
323.09702	0.5
379.12488	0.9
385.73526	0.2
397.13461	16.3
398.13773	0.8
415.14548	10.5
416.14731	0.4
481.25385	0.3
482.25912	0.4
483.27228	15.4
484.27481	1.1
569.42041	1.4
636.25488	0.2
654.27173	0.4
673.34796	0.9
679.88794	0.2
691.35376	2.5
691.46735	0.3
692.35278	0.3
955.24463	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	967.563
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99676	0.2
69.03331	1.7
70.16531	0.2
71.01251	24.4
72.99178	2.5
73.02815	4.0
75.00725	0.6
81.03322	1.3
83.01260	2.7
83.04883	0.4
85.02341	0.4
85.02822	5.8
85.99944	0.3
87.00749	5.5
87.04372	0.2
89.02316	20.9
91.03885	0.6
93.03317	0.7
95.01255	1.5
96.95883	2.2
97.02237	0.4
97.02824	4.9
99.00726	1.3
99.04402	0.4
101.02325	20.8
103.00261	0.3
103.03849	0.3
109.02814	0.5
111.00746	0.4
111.04398	0.8
113.02325	9.7
115.03889	0.5
119.03384	5.8
119.04819	0.2
121.02823	0.7
123.00757	0.2
123.08038	0.3
124.01499	0.4
125.02332	8.6
127.03895	0.4
127.07511	0.3
129.01764	0.3
131.03400	1.1
133.04956	0.9
137.02359	0.5
139.03908	0.6
141.01802	0.5
143.03407	4.2
143.87167	0.2
148.08823	0.3
149.02261	0.3
149.04430	0.6
149.30046	0.2
150.10391	0.5
151.03868	0.4
151.11145	0.3
159.26270	0.2
161.04469	4.4
163.11281	0.5
165.12767	9.8
166.13139	0.4
167.03403	0.7
169.04977	0.4
171.10211	0.3
175.11256	0.3
179.05533	4.3
185.04497	0.4
191.14330	0.4
199.06097	0.4
209.04515	0.3
209.11801	1.4
210.11955	0.2
217.07092	0.7
217.15961	0.2
221.06609	1.6
229.23390	0.3
235.08186	10.3
236.08424	0.3
245.06615	0.6
247.20634	4.9
248.20821	0.2
253.09183	2.5
259.20718	0.4
263.07684	1.3
273.18585	2.7
275.19962	0.3
277.09570	0.5
277.21710	59.8
278.22055	3.9
287.07700	3.2
291.19653	33.1
292.19968	2.1
293.21088	0.3
305.08765	4.0
323.09769	1.3
361.11349	0.4
379.12589	0.5
397.13489	100.0
398.13821	5.2
415.14560	33.6
416.14780	1.6
482.42032	0.3
675.36023	3.9
676.36438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00494	7.7
79.07185	1.8
83.01265	12.3
95.01316	2.1
107.01273	26.6
109.02836	5.3
121.02848	8.0
124.01550	12.0
125.02332	4.2
133.02805	1.9
137.02310	4.8
139.00230	1.8
139.03931	2.4
142.13707	1.5
149.02373	3.9
151.00276	84.7
152.01059	20.1
153.01837	16.6
153.94255	1.7
161.02304	1.9
163.00241	4.5
163.04030	1.4
165.01956	2.0
169.01341	18.7
175.00349	1.9
175.03923	2.1
177.01846	2.1
178.99782	100.0
180.00070	3.2
181.01324	2.9
185.02388	1.6
190.99774	2.9
192.00592	5.2
193.01335	12.2
198.03096	2.0
199.03992	4.2
203.03452	5.6
211.04012	3.8
213.01880	2.3
214.02609	2.3
215.03418	2.2
225.01891	4.1
226.02660	4.6
227.03461	8.0
228.04137	2.1
231.02852	1.7
237.01881	4.3
241.01425	3.7
242.02121	4.3
243.02931	6.3
253.01410	10.3
254.02274	7.6
255.02943	18.0
255.99963	2.2
256.03632	1.9
268.98233	2.8
269.00931	43.3
270.01437	4.1
271.02457	20.3
281.00931	5.0
282.01721	4.7
283.02457	6.6
284.03033	2.2
295.02576	3.2
297.00357	4.3
297.03967	2.4
298.01349	1.8
299.01880	11.2
300.02631	3.5
311.01926	2.9
317.04587	2.4
319.06146	2.5
321.04019	1.9
333.04025	2.1
341.02856	2.7
347.05618	2.7
359.05365	2.0
361.03448	3.4
362.04468	2.7
363.05225	2.5
373.03650	4.1
375.05048	4.1
377.02954	2.0
389.02972	6.4
390.03574	3.4
391.04480	3.5
403.04837	3.2
404.05225	4.6
405.06253	14.9
407.04077	5.1
418.03253	9.9
419.04080	36.1
420.04535	5.4
421.05731	10.8
431.04153	2.1
433.01962	6.8
447.03491	7.1
448.04391	3.6
449.05127	8.3
545.29602	2.2
583.05035	6.1
584.05225	2.2
601.06226	59.6
602.06622	5.8
609.14227	2.8
763.11426	56.7
764.11621	8.2
804.97119	3.6
805.12543	76.5
806.12762	12.9
841.19031	1.7
967.17822	72.2
968.18518	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	967.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
68.27528	2.1
69.40607	14.7
71.01207	2.5
83.01256	9.5
85.02805	2.9
93.03337	3.8
95.78458	2.0
96.95876	8.9
107.01270	25.2
109.02843	7.0
115.31905	1.8
121.02828	5.5
124.01561	5.8
125.02319	4.5
139.03906	3.4
145.02847	2.7
147.00781	2.3
148.01572	3.0
149.02354	7.8
151.00272	70.1
152.01070	17.2
161.02339	4.9
163.00284	4.1
169.01334	18.1
175.00267	2.9
175.03905	7.1
178.98206	4.9
178.99782	88.1
183.04434	3.3
185.02513	1.8
187.04073	2.5
189.01831	2.8
190.99844	3.5
191.03871	3.9
191.05490	26.8
192.00548	4.7
192.05829	3.7
193.01343	20.7
199.03978	3.7
203.03412	13.0
211.03917	4.0
213.01950	3.8
214.02705	4.8
215.03467	5.9
226.02605	10.1
227.03505	15.1
228.04164	2.4
229.04808	2.5
237.01836	6.9
239.03313	4.0
241.01279	3.8
243.02895	4.3
253.01334	7.6
254.02127	12.5
255.02985	20.1
267.02930	6.2
269.00916	10.5
271.02472	30.7
281.00803	7.0
283.02594	4.8
284.03012	2.6
293.04510	3.2
295.02435	4.9
295.05972	2.4
296.03058	3.4
297.03775	4.2
299.01950	8.7
300.02621	2.8
305.10626	3.5
311.02121	2.7
311.08044	2.8
317.04486	3.5
333.04138	4.7
335.05676	2.7
337.09201	4.1
339.05176	3.4
340.02496	2.4
341.02966	6.4
347.05627	3.1
361.03421	4.3
362.03998	2.1
363.05338	3.4
365.02881	3.0
375.05466	3.4
377.02878	2.7
389.02716	13.3
391.04266	3.8
401.02805	2.1
404.05402	5.0
405.06116	15.5
406.03036	4.5
407.04010	18.7
408.04037	3.0
419.03912	4.6
420.04562	2.6
421.05490	5.9
433.01785	11.7
449.05658	2.4
451.03207	4.3
479.02451	2.9
583.05011	8.0
601.06232	26.9
602.06635	5.4
739.80511	2.8
763.11365	38.3
764.11792	8.1
787.12421	2.7
805.12665	55.0
806.12982	4.8
811.60724	2.9
967.17773	100.0
968.18103	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	959.55
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24151	1.7
69.24586	1.7
71.01254	0.9
78.95769	6.7
89.02280	0.4
96.95912	0.6
98.20573	0.6
102.06859	0.3
110.98419	4.2
139.53738	0.3
167.01080	1.7
171.10196	0.4
185.02104	4.2
193.96184	0.3
203.97083	0.3
209.11751	0.5
223.09781	0.4
223.13477	0.3
259.20612	0.5
277.21701	100.0
278.22055	5.9
283.07120	0.3
397.13715	0.8
445.23566	48.2
446.23877	3.4
648.16663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03309	1.7
70.90487	1.1
70.90829	1.0
71.01253	16.3
71.95571	0.5
73.02814	8.9
74.08385	0.5
75.05492	0.7
81.03336	0.8
83.01256	3.9
83.04924	0.6
84.76274	0.6
85.02808	5.3
85.99969	0.6
87.00745	2.3
89.02323	4.0
93.03355	2.2
95.01255	1.3
96.95892	2.0
97.02821	1.2
99.00787	1.1
101.02312	9.2
107.01305	1.2
107.04897	1.1
111.08020	1.2
113.02329	5.5
119.03362	0.8
125.02328	1.3
125.93402	0.6
131.03403	0.7
131.69232	0.5
133.02847	4.4
134.03618	0.9
135.04382	2.5
137.09575	1.2
139.03851	0.7
143.03357	0.9
149.04529	0.8
151.00240	1.7
151.11174	0.9
161.04425	2.5
161.09558	0.7
163.11206	14.5
164.11554	0.8
165.09125	1.8
165.12779	0.9
171.08005	0.7
173.04453	1.3
177.01817	1.0
178.02446	0.8
179.03453	0.9
179.10695	0.7
181.12253	35.0
182.12624	1.8
187.11215	4.5
189.12747	6.5
190.09918	8.9
191.05585	2.0
203.05573	2.3
204.11723	0.7
205.10516	1.1
205.12292	12.2
206.12654	0.8
211.03894	1.0
219.60095	0.7
223.13342	3.9
227.03439	41.5
228.03845	2.5
229.04965	0.9
229.12346	1.4
231.13960	0.7
244.57715	0.6
247.13335	2.9
255.02957	60.2
256.03558	7.6
284.03247	71.6
285.03922	16.5
289.11154	0.8
299.05789	0.7
327.05087	1.2
349.16602	4.9
367.17514	7.7
385.18582	1.3
395.78622	0.6
409.18698	1.7
427.19696	13.6
428.19678	0.7
428.33118	0.7
489.10361	100.0
490.10739	7.6
583.49115	0.8
616.25964	0.7
770.91724	0.7
787.30121	1.0
961.35748	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	963.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28923	2.7
71.01257	0.4
78.95769	30.3
96.96821	2.4
113.02307	0.3
119.77273	0.2
152.99481	41.1
153.99802	0.4
157.26955	0.2
171.00552	10.6
171.10207	0.4
209.11739	1.5
223.44968	0.3
227.03172	2.6
227.12881	0.3
235.41177	0.2
245.04271	58.0
246.04628	1.0
253.21686	26.0
254.22041	1.5
277.21695	0.6
305.62564	0.3
367.61008	0.2
397.13327	0.4
481.25684	100.0
482.26022	7.5
482.31174	0.2
786.09778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	1.9
71.01254	17.8
72.99158	1.4
73.02819	2.3
75.00725	0.5
75.25795	0.3
80.62091	0.3
81.03316	0.7
83.01263	1.5
83.04887	0.7
84.02029	0.5
85.02824	8.8
87.00755	3.2
87.04382	0.4
89.02317	11.4
89.91103	0.3
95.01239	1.3
95.04866	0.7
97.02833	3.1
97.06443	1.5
99.00727	0.8
100.29738	0.3
101.02322	10.9
108.63784	0.3
108.94240	0.3
111.00710	0.3
111.04355	0.4
113.01601	0.6
113.02329	5.7
115.03893	0.3
119.03368	4.0
121.02788	0.4
125.01528	0.4
125.02349	3.9
125.09592	0.9
127.11169	1.1
133.96877	0.3
137.08606	0.4
137.09540	1.6
139.03894	0.5
141.01744	0.5
143.03384	1.5
145.04980	0.4
149.04552	0.4
155.10651	0.9
161.04439	2.1
165.09195	0.4
165.12732	0.6
169.04866	0.3
171.10176	21.8
172.10431	0.4
177.12703	0.6
179.05499	2.9
183.13849	2.1
185.11693	0.6
193.12122	0.6
197.11673	0.5
201.11189	1.0
203.10608	0.5
207.10139	0.8
209.11711	1.6
211.13344	9.5
217.07162	0.5
221.06616	1.4
221.11772	2.3
225.11224	0.5
227.12903	0.4
229.14404	6.8
230.14679	0.4
235.05994	0.6
235.08179	4.7
239.12868	1.0
247.20580	0.6
253.09253	0.8
255.23264	31.7
256.23657	2.0
263.07898	0.4
275.69382	0.3
283.26184	0.6
287.07764	1.3
291.19653	3.9
305.08728	2.0
307.19040	0.5
309.20703	7.2
310.21146	0.6
311.35086	0.4
323.09738	1.0
327.21753	100.0
328.22122	5.7
351.22177	0.3
379.12347	0.4
386.42120	0.3
397.13498	51.3
398.13968	2.3
415.14554	14.8
416.14917	0.7
525.95422	0.3
565.45038	1.8
580.45917	0.4
653.37537	5.5
707.34894	6.3
708.35730	0.7
725.36060	3.2
963.58929	1.7
974.71313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6851
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	0.8
81.03326	6.2
83.04894	15.8
85.02814	0.4
87.00748	0.3
93.03339	0.8
96.95878	3.9
100.07560	0.4
101.02309	0.4
107.06071	0.3
108.04447	0.3
109.02840	0.3
113.02328	0.4
122.05966	0.3
125.02306	0.3
125.07123	0.8
126.05473	0.6
133.02844	1.2
134.03622	0.9
135.04388	1.2
143.08195	0.5
150.03108	0.5
161.02260	0.6
163.03816	0.3
165.05461	0.5
173.04494	0.7
175.03915	0.6
177.01851	0.5
179.03419	0.4
191.05527	2.4
193.05017	0.3
195.04221	0.3
198.27148	0.3
207.14957	1.1
224.17639	2.8
225.16039	11.6
227.03362	0.4
229.01515	0.4
242.18774	0.5
255.02960	0.8
271.02597	0.3
275.09241	0.3
284.03137	1.1
287.09644	0.5
289.11188	0.6
291.20908	0.3
300.02692	0.4
309.21799	0.8
317.58542	0.3
324.26486	0.4
333.22876	0.5
339.05219	0.4
341.29208	0.7
362.16071	0.5
367.27106	0.9
385.28104	0.3
433.31735	1.4
450.34152	1.3
451.32880	8.6
452.33231	0.8
489.10449	0.9
506.91284	0.3
550.43311	0.9
565.44928	0.3
567.45966	0.7
593.44452	0.4
649.11218	0.4
673.40033	0.3
677.49762	2.0
685.49030	0.3
767.31183	0.3
776.60492	0.8
885.65753	0.6
903.66479	100.0
904.66785	19.8
963.36334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43353	0.5
67.01765	7.0
69.03324	2.0
69.25179	6.0
71.01251	4.0
73.02794	1.0
79.57711	0.6
81.03324	2.3
82.60278	0.5
83.04893	1.6
85.02818	6.2
87.00760	9.1
89.02286	0.6
93.03337	56.8
94.03654	1.5
96.95870	1.3
97.06474	2.3
99.00762	0.9
101.02304	1.0
109.02830	2.5
109.32732	0.5
111.00748	0.7
111.04395	8.0
112.55937	0.5
113.02311	1.3
114.26267	0.6
121.02905	0.6
125.02409	0.7
127.03917	0.9
129.01851	1.5
133.02832	2.4
134.03633	34.3
135.04442	10.2
137.02354	3.2
147.02856	1.3
151.00270	1.8
153.01886	0.9
155.03400	4.9
161.02286	0.6
173.04471	47.7
173.97292	0.5
173.98856	0.5
174.03174	0.6
174.04813	1.3
177.01797	3.5
178.02629	14.8
178.99869	0.8
179.03406	5.1
182.80884	0.5
186.52908	0.6
191.01892	3.8
191.05571	4.5
192.05859	0.7
209.11751	2.1
211.04021	0.7
227.03442	37.2
228.03816	2.4
229.04893	0.7
231.10236	1.8
239.03397	0.8
255.02969	51.1
256.03564	6.2
275.09305	4.9
276.09579	0.8
284.03259	54.6
285.03925	13.2
286.04367	0.9
289.11227	0.7
293.10312	34.1
294.10583	1.7
300.02972	0.9
301.03210	0.8
357.06564	0.5
375.00269	0.6
445.80502	0.6
449.14478	21.0
450.14713	2.4
465.14148	1.3
466.14343	2.3
467.15567	60.6
468.16135	4.8
489.10361	100.0
490.10712	8.8
505.09698	0.9
506.10016	0.9
507.10617	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	951.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43408	5.0
69.43842	5.9
71.01266	3.1
73.02824	2.5
75.66586	1.5
83.01239	13.9
85.02813	2.4
93.03323	3.6
95.01234	3.4
96.95899	6.8
98.19701	2.6
101.02305	2.6
107.01273	35.6
111.00692	1.5
113.02390	1.9
123.00793	3.3
123.04366	2.3
124.01559	11.7
125.02348	7.4
133.02800	1.5
136.07509	1.6
137.02351	2.9
145.02885	1.5
149.02303	1.7
151.00272	100.0
152.01074	32.0
153.01823	18.0
161.02328	2.4
161.04486	2.1
163.00282	5.3
165.01797	2.0
169.01358	26.8
175.00304	3.6
175.03889	2.9
175.11200	1.5
177.01855	2.2
178.99777	90.7
180.00108	3.4
181.01346	4.0
189.05634	1.4
190.99789	2.1
191.05476	5.3
192.00528	5.4
193.01357	9.5
195.02994	2.0
198.03200	2.4
202.15401	1.3
203.03403	5.5
211.03984	2.9
213.01852	2.7
215.03418	2.7
219.02820	1.9
226.02577	6.0
226.04556	1.4
227.03398	7.0
227.48712	1.4
228.04164	2.9
237.01840	2.8
239.03372	1.7
243.02913	1.9
244.03653	2.1
253.01321	4.1
254.02271	8.3
255.02968	12.2
256.03754	2.6
261.05609	1.9
266.02075	2.0
267.02917	4.2
269.00897	6.5
270.01447	1.7
271.02423	7.9
281.00873	3.1
282.01892	2.6
283.02484	5.1
285.03906	1.9
295.02411	1.8
299.01874	3.2
311.01764	2.2
315.06708	1.9
321.03790	1.9
331.06195	3.5
333.03864	2.2
333.07559	2.2
347.05557	3.7
359.05804	3.0
361.03198	2.0
361.07196	3.6
363.05008	2.2
373.03397	1.6
375.04962	6.8
376.05844	1.7
377.06671	4.0
387.04901	5.0
388.02048	1.7
389.02795	5.5
389.07257	10.8
391.04575	2.2
402.03711	2.5
403.04526	21.5
404.05081	3.7
405.06216	9.2
407.04095	6.1
415.04498	2.2
433.01202	3.0
433.06186	2.7
459.03558	2.3
523.05762	1.7
555.04706	1.9
567.05566	9.8
584.06360	1.8
585.06689	38.8
586.07263	4.1
627.07935	1.6
729.10492	3.3
744.05762	1.6
747.12048	45.9
748.12213	8.8
789.13062	52.5
790.13007	8.2
909.16705	1.8
951.18201	49.8
952.18561	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	952.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28663	0.2
75.06192	0.2
75.99185	0.1
78.95773	57.6
96.95879	0.3
96.96839	7.0
116.92743	0.3
121.20257	0.2
150.97934	1.9
152.72963	0.2
152.99484	100.0
153.99820	1.1
161.15935	0.1
170.99185	0.3
171.00549	4.0
191.16771	0.2
196.31360	0.2
279.23221	1.0
325.18658	0.2
357.60574	0.2
409.48083	0.2
431.22052	0.2
433.23575	33.3
434.23834	3.1
640.33264	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	949.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34350	0.2
69.03320	0.7
71.01251	20.6
71.37646	0.4
72.01569	0.3
72.99189	0.9
73.02816	22.9
74.03120	0.2
75.00731	0.3
81.03336	0.2
83.01257	8.0
84.01592	0.2
85.02818	1.8
87.00758	0.5
89.02307	3.1
92.21008	0.2
92.23022	0.2
95.01277	0.2
96.95860	0.4
97.02816	0.5
99.00753	0.6
101.02318	19.1
102.02681	0.2
113.02325	3.9
119.03387	1.4
120.07398	0.2
121.06479	0.3
125.02344	0.9
131.03403	1.1
132.44371	0.2
133.10120	0.4
134.03593	0.3
143.03410	1.1
149.04456	1.7
155.03404	0.4
159.07994	1.0
160.08870	0.3
161.04451	3.4
173.04478	0.3
173.09598	0.4
175.11192	18.9
176.11531	1.0
177.65645	0.2
178.99760	0.3
191.05470	0.3
193.12280	1.4
203.05554	0.3
219.10236	2.1
220.10696	0.2
221.06647	0.5
248.28822	0.2
255.03043	0.6
271.02487	1.6
284.03146	0.3
300.02771	2.3
301.03476	1.0
337.16684	0.4
355.17593	0.7
357.09546	0.3
357.41119	0.2
399.16586	8.4
400.16815	0.6
400.81458	0.2
441.17633	100.0
442.17996	9.5
442.22647	0.2
443.18469	0.3
463.08862	2.2
464.09201	0.2
485.16489	2.0
615.30994	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	945.5951
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04881	0.3
71.57522	0.2
79.95571	1.4
85.02806	0.2
93.03355	0.2
95.95142	0.2
96.95892	81.0
97.95798	0.2
99.08005	0.2
102.38049	0.1
109.02755	0.1
138.18086	0.2
141.12785	0.7
150.45030	0.2
169.12230	0.5
173.04472	0.3
177.01842	0.3
185.11681	0.3
187.13329	12.7
188.13669	0.5
191.03468	0.4
191.05548	0.9
215.82036	0.2
225.65347	0.1
231.28265	0.2
243.03020	0.2
250.01347	0.1
255.03047	0.4
267.09070	100.0
268.09409	4.1
271.02509	1.2
300.02734	2.3
301.03366	0.7
358.27267	0.1
363.79117	0.2
489.30014	0.2
505.09940	2.2
506.10275	0.5
893.78156	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	947.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95526	0.7
71.01253	2.2
84.50613	0.7
85.02818	1.5
93.03347	2.0
96.95908	1.3
97.36035	0.8
101.02325	1.1
106.06519	0.8
107.01266	2.2
107.86569	0.7
108.02058	1.4
109.02884	0.7
121.02851	0.8
135.57439	0.8
148.01563	1.0
150.67474	0.7
151.00282	6.0
163.00285	1.3
169.01326	0.7
173.04500	4.9
175.60081	0.8
178.99811	2.7
191.05540	3.4
193.12254	3.1
226.02689	0.8
227.03415	1.6
243.02988	6.7
250.93806	0.7
254.02130	1.5
255.02989	18.5
256.03348	1.3
271.02478	35.3
272.02924	3.2
300.02750	75.4
301.03439	21.4
302.03857	1.7
337.16553	7.8
355.17734	5.4
397.18613	9.6
398.19061	1.0
442.13702	1.4
463.08765	1.6
505.09882	100.0
506.10355	10.1
594.55219	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	943.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39538	1.4
68.44942	1.4
69.03333	1.8
71.01250	24.0
71.04860	1.8
72.99169	2.5
73.02824	2.2
75.00731	1.6
83.01268	3.3
85.02836	4.0
87.00729	4.5
89.02326	8.7
95.04919	1.9
97.02827	13.7
97.06444	1.8
98.19727	2.5
99.00747	28.2
101.02315	11.2
109.06477	3.2
111.04400	2.3
113.02313	8.8
116.92703	1.4
119.03353	2.3
123.08069	2.5
125.02346	7.0
125.09600	7.2
142.02596	4.1
143.03392	1.8
161.04472	2.7
163.11194	13.0
168.80751	1.4
181.12231	22.5
182.12558	1.6
197.11694	1.8
199.13383	2.1
207.10184	62.9
208.10553	4.0
209.11774	3.5
225.11264	97.7
226.11539	4.8
235.08192	4.3
243.12335	31.1
244.12723	2.6
255.23181	2.5
263.07553	1.9
277.21716	63.1
278.22058	6.1
329.42249	1.6
379.12512	2.3
397.13553	16.6
415.14551	1.9
419.20251	2.0
605.24536	24.0
623.25641	10.4
682.64014	1.6
769.41791	1.7
826.72601	2.0
883.46942	100.0
884.47351	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	943.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	17.4
71.04909	1.8
71.58006	1.5
72.99168	2.2
73.02801	2.1
80.96414	2.0
83.01279	2.2
85.02833	4.8
87.00762	6.7
89.02317	10.0
95.01237	3.0
97.02819	9.7
97.06476	2.4
99.00758	21.5
100.96469	1.6
101.01753	1.7
101.02318	10.3
109.06448	2.4
113.02341	8.1
123.04453	1.9
125.02348	6.6
125.09612	5.7
142.02591	3.8
152.43860	1.7
161.04567	2.1
163.11191	11.9
176.80746	1.7
179.05574	2.7
181.12294	21.9
197.11798	2.2
199.13286	4.2
207.10207	60.0
208.10463	3.4
225.11272	100.0
226.11559	3.9
235.08220	2.4
243.12360	36.0
277.21729	57.1
278.22104	5.2
317.16129	3.3
362.39264	1.7
372.86523	2.0
379.12650	2.5
384.57135	1.7
387.44601	2.1
397.13599	10.2
415.14746	2.7
605.24438	26.9
606.25012	4.1
623.25500	29.3
624.25916	1.8
721.42084	1.9
773.01733	1.9
813.82440	2.2
883.47058	92.2
884.47131	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	935.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	4.6
70.15063	8.8
71.01251	68.4
72.99162	4.9
73.02814	26.4
78.42940	1.7
79.95588	2.1
80.96371	3.1
80.97061	1.5
81.03375	1.6
83.01254	17.7
85.02821	40.7
87.00748	7.0
88.98679	3.5
89.02312	7.8
95.01271	8.6
96.95892	20.0
97.02826	9.0
99.00749	11.3
99.04427	1.6
101.02320	43.3
109.06525	2.5
111.00767	3.2
113.02329	36.7
116.92695	1.6
119.03386	3.3
125.02321	12.4
127.03898	2.5
131.03365	2.1
143.03386	8.2
155.03423	2.5
159.02878	2.1
161.04494	13.1
171.10217	4.0
203.05614	2.2
207.10197	6.8
209.11790	9.3
219.62636	1.7
221.06781	2.5
225.11238	5.0
293.21231	11.1
295.22687	6.1
397.13510	7.1
413.84674	1.8
536.71979	1.8
589.69330	2.0
601.40900	6.4
745.45319	14.5
746.45251	2.5
763.46106	8.3
787.46069	21.1
788.47833	2.6
805.47388	100.0
806.47882	13.3
847.48474	99.4
848.48651	14.9
899.46710	6.3
935.46954	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	937.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00208	0.3
69.52456	1.4
69.52861	0.6
71.01234	0.4
72.64162	0.2
83.01270	0.4
93.03330	1.2
96.47991	0.2
96.95882	0.3
98.19820	0.4
101.02359	0.3
106.04064	0.2
107.01247	0.8
108.02065	0.8
119.04913	15.0
120.05189	0.3
121.02872	0.5
132.05730	0.3
133.02875	0.3
133.08168	0.3
143.04916	1.0
148.01576	0.6
151.00279	2.6
163.00287	0.7
163.03915	13.5
164.01041	0.3
164.04263	0.6
169.01355	0.4
178.99808	1.7
191.05481	0.7
199.03973	0.4
211.04059	0.3
211.07565	0.7
226.02704	0.6
227.03438	2.3
229.04887	0.4
237.09102	0.7
239.10764	0.7
243.02971	4.2
244.03391	0.4
254.02234	1.0
255.02960	15.0
256.03372	1.0
257.04556	0.3
265.08664	0.9
271.02460	25.4
272.02936	2.1
273.03769	0.4
283.02509	0.3
283.09763	3.4
284.03271	4.7
285.03940	1.9
299.01987	1.3
300.02728	66.1
301.03293	7.0
327.08716	28.8
328.09109	1.8
328.12393	0.3
401.18100	1.1
445.07581	0.3
609.14575	100.0
610.14911	10.3
898.15497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29759	4.1
69.30180	1.9
71.01255	2.0
71.64731	0.6
75.27269	0.5
78.32714	0.6
78.95303	1.2
78.95768	24.2
79.95555	0.9
80.96384	1.2
91.86681	0.6
96.95872	3.8
96.96837	1.7
98.19839	1.3
152.99483	38.0
171.00543	10.0
171.10159	0.9
186.93462	0.6
196.92519	0.6
197.11801	0.9
209.11784	1.4
216.58795	0.5
227.03186	2.6
245.04272	56.6
246.04729	1.3
253.21687	23.6
254.22034	1.3
254.31546	0.6
255.23213	1.7
306.96249	0.6
452.27881	0.9
481.25684	100.0
482.26031	6.9
868.93097	0.7
937.14032	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	935.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	1.1
70.56853	2.6
71.01261	6.8
73.02826	2.2
78.15868	0.9
82.16508	1.1
83.04885	2.1
85.02831	3.2
87.00753	1.8
89.02307	5.1
93.03341	2.3
96.95912	8.6
97.02807	1.0
99.00771	1.8
101.02331	7.1
105.09089	0.9
113.02329	4.0
119.03367	1.3
125.02325	2.9
135.04449	1.5
136.66225	0.9
143.03238	1.0
151.03885	1.3
161.04507	1.8
163.11198	4.0
165.12743	2.4
173.04381	1.2
179.03558	0.8
179.05511	2.4
191.05568	6.6
192.05946	0.9
199.13293	0.9
209.11771	100.0
210.12154	5.7
227.12837	25.3
228.13138	1.5
229.92461	1.0
235.08221	3.2
305.08795	1.7
323.09756	1.7
327.21686	3.2
379.12491	11.8
397.13477	26.4
398.13751	2.7
415.14749	5.8
589.25079	13.8
590.25372	1.5
607.26019	15.1
709.03973	1.0
799.37775	6.1
800.38239	1.4
817.38983	2.2
835.39355	3.3
836.39655	1.1
881.24414	1.0
935.42651	24.1
936.43011	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	933.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53719	13.7
69.54125	4.7
71.01244	31.6
72.99162	2.6
73.02796	3.0
74.58978	2.3
79.95608	2.1
80.96384	3.3
81.03344	2.3
83.01244	2.5
83.04886	7.3
85.02840	7.0
87.00738	6.4
89.02313	15.1
95.01287	3.0
96.95894	16.3
97.02820	8.2
101.02324	16.6
109.06465	4.9
111.90200	2.3
113.02317	9.5
119.03409	4.0
125.02322	3.9
143.03381	2.6
161.04413	4.7
163.11183	8.1
171.10185	16.9
179.05482	5.1
181.12312	2.7
191.05614	3.4
195.13817	7.6
205.41547	2.7
207.10176	11.4
209.11777	92.3
210.12004	5.1
211.13261	3.1
216.44739	2.3
221.06577	2.4
223.13290	5.0
225.11157	7.1
225.40826	2.3
227.12808	15.4
235.08127	7.7
247.09471	3.4
275.20245	6.1
291.19495	5.6
293.21228	100.0
294.21457	8.6
309.20532	4.4
314.44452	2.3
327.21829	7.2
379.12479	2.9
397.13559	37.1
398.14133	3.1
415.14468	14.6
559.11072	2.9
589.24799	2.6
607.26147	4.5
673.34113	3.3
933.46021	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	933.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51404	1.8
71.01250	34.6
71.56805	2.9
73.02812	3.8
75.00723	2.3
80.96389	2.8
81.03371	2.2
83.01264	3.7
83.04892	4.2
84.02020	2.2
85.02825	6.9
87.00762	4.6
88.62425	1.8
89.02328	15.5
89.38877	1.7
95.01255	3.2
96.95897	14.7
97.02844	4.3
99.00780	3.0
101.02322	10.4
107.93452	2.0
109.06413	2.1
111.04406	2.8
113.02311	9.7
119.03382	4.3
125.02340	6.3
125.09608	4.0
135.04416	1.8
161.04483	4.2
163.11180	7.1
169.12239	3.1
171.10182	10.9
172.10532	2.6
179.05556	4.0
180.89299	2.0
181.12302	3.1
195.13872	5.9
197.11826	2.8
201.11221	5.6
207.10172	8.1
209.11769	95.8
210.12140	5.7
210.90125	2.1
211.13300	5.3
223.13342	3.2
225.11253	9.1
227.12804	16.2
235.08119	5.4
247.09392	3.2
275.20099	2.9
285.03900	2.9
291.19577	4.8
293.21216	100.0
294.21570	8.2
309.20615	3.9
327.21780	4.4
336.47052	2.3
379.12503	6.6
397.13507	47.3
398.13937	3.7
415.14505	20.5
473.16638	2.1
517.30981	2.7
589.47754	2.3
607.25769	2.7
628.43616	2.4
933.46381	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	933.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	2.6
71.01254	25.4
71.04883	1.2
72.99186	2.2
73.02815	3.2
80.02540	2.0
81.03309	3.5
83.01263	3.8
83.04886	7.3
84.02061	1.3
85.02829	7.3
87.00772	5.3
89.02317	17.5
93.03344	1.4
95.01250	1.5
95.04894	3.6
96.95891	20.1
97.02824	5.9
97.06475	2.4
101.02326	14.2
109.02837	1.2
109.06480	12.5
111.04404	1.2
111.08095	1.1
113.02338	7.9
114.59444	0.9
119.03383	5.4
120.66163	1.0
124.77063	0.8
125.02329	6.0
125.09598	3.1
127.11205	0.9
129.67172	1.1
131.03331	1.0
135.08044	2.7
137.09581	1.4
143.03441	2.2
153.09096	3.8
155.10669	1.3
161.04456	4.0
163.11179	9.6
165.12729	3.6
171.10172	20.5
172.10550	1.6
173.04477	1.1
179.05478	5.1
181.12248	3.2
183.13824	1.9
185.11792	2.4
191.05586	4.7
191.10696	1.6
193.12233	1.1
197.11810	9.2
199.13290	1.1
201.11246	4.0
207.10205	19.8
209.11768	100.0
210.12103	6.2
211.13364	11.6
220.52805	1.0
221.06598	1.6
221.11586	1.0
225.11258	11.1
227.12860	13.1
229.14400	3.0
235.08276	5.3
235.13281	1.4
237.14941	2.0
239.12910	1.3
253.09161	1.5
287.07663	1.3
289.18170	7.2
291.19568	2.5
305.08752	1.7
307.19131	28.3
308.19507	1.6
309.20633	6.9
323.09879	1.6
325.20187	47.1
326.20438	3.4
327.21762	32.6
328.22067	3.5
345.20636	1.3
379.12424	3.0
397.13501	41.1
398.13864	2.2
415.14569	20.6
440.40298	1.1
481.02313	1.2
517.31482	1.2
605.24890	1.5
607.25421	1.1
623.25586	2.7
687.31836	2.7
705.33197	6.5
707.34674	2.6
714.71478	1.0
723.34668	2.2
725.36688	1.8
872.89099	1.2
897.44550	3.4
915.46997	5.1
916.44507	1.2
933.47064	15.3
934.47101	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	933.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00887	5.1
71.01254	66.6
72.99200	3.8
73.02805	7.1
74.31691	2.7
76.55227	2.9
78.95771	3.9
80.96382	6.5
81.03379	3.2
83.01264	3.8
85.02821	6.3
85.46346	3.6
87.00747	7.0
89.02325	21.4
89.09621	2.8
95.01315	3.7
96.95885	18.5
97.02827	7.7
99.00762	4.0
101.02336	20.7
109.06496	4.7
110.88048	3.2
113.02313	12.1
119.03400	7.8
125.02380	8.8
138.89891	3.1
155.10609	4.1
161.04454	5.4
163.11198	6.4
171.10178	37.1
176.84840	3.1
179.05522	7.3
181.08620	3.9
181.12300	3.8
199.09676	28.9
201.11258	40.8
207.10208	20.7
209.11778	11.6
221.06584	4.4
223.09720	3.7
225.11281	33.0
235.08173	6.1
243.12350	4.4
255.23262	100.0
256.23630	6.2
277.21741	5.3
336.58841	3.6
359.11386	4.0
379.12488	6.4
397.08444	3.8
397.13538	75.0
398.13660	5.9
415.14758	15.1
579.23083	5.2
581.25433	3.3
589.87964	3.6
623.25781	4.4
629.61749	3.3
635.35828	4.4
653.37445	7.2
653.89594	3.5
673.22021	3.8
835.46722	23.0
843.45294	6.2
859.83563	4.0
861.48303	22.3
862.49268	5.3
879.49628	10.0
897.50964	30.1
898.50842	9.2
915.48859	4.2
927.15381	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	923.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90870	2.2
70.09295	11.5
71.01254	12.8
73.02816	3.3
80.87273	2.5
81.03332	2.7
81.56384	2.6
83.04861	5.1
85.02834	2.7
87.00764	3.3
89.02319	9.5
96.95867	5.3
99.92438	3.4
101.02322	11.4
113.02314	7.3
116.91989	3.7
116.92749	46.7
125.02311	9.6
143.03308	2.9
161.04553	3.7
163.11238	2.8
165.12715	3.0
171.10133	3.1
171.19957	2.3
176.65617	2.2
179.05563	4.3
209.11772	100.0
209.13780	5.1
210.12047	7.3
227.12790	14.2
235.08109	4.8
255.23265	57.4
256.23462	3.1
287.07764	2.6
305.08582	3.5
315.18774	2.9
379.12323	12.8
397.13535	41.5
398.13757	2.8
415.14380	8.9
495.49554	2.7
515.17767	2.4
547.78888	3.1
607.25360	2.4
619.84906	3.0
653.37286	4.7
783.30042	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	929.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92471	0.6
70.92811	0.5
71.01252	0.4
79.95583	1.5
96.95889	100.0
109.06457	1.2
123.08020	0.9
125.09596	0.6
135.08124	0.3
151.11212	2.2
160.28236	0.3
168.63483	0.3
179.10753	0.4
190.41214	0.3
191.05545	1.4
195.13832	7.8
196.14148	0.5
239.12854	16.8
240.13139	0.7
250.38460	0.3
300.02597	0.6
303.09058	5.4
305.10593	0.6
319.08557	68.1
320.08862	2.9
355.96420	0.3
438.40097	0.3
440.20822	0.3
609.14636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03300	1.8
71.01251	16.6
71.04896	2.1
72.67331	0.9
72.82763	0.8
72.99174	2.0
73.02818	2.1
75.00738	1.1
83.01245	2.6
83.21282	0.9
85.02832	4.7
87.00763	4.5
89.02312	7.5
95.01236	1.3
96.95901	1.3
97.02838	9.0
97.06496	1.9
98.20556	2.6
99.00751	23.9
101.02315	10.7
109.06489	1.4
110.03603	1.7
113.02328	4.6
116.92700	2.2
119.03419	2.3
119.30399	1.0
123.08045	1.9
125.02321	6.8
125.09589	5.7
136.05205	1.4
141.85741	0.8
142.02614	2.4
143.03386	1.6
149.33495	0.9
161.04446	2.1
163.11179	9.7
171.10439	0.8
173.09785	0.9
179.05611	1.3
181.12251	17.7
192.64618	0.9
192.67668	1.0
197.11781	0.9
199.13301	1.6
207.10197	50.3
208.10481	2.7
221.06635	1.3
225.11269	83.2
226.11603	3.2
235.08167	3.6
243.12341	24.3
244.12613	1.3
255.23259	65.0
256.23547	5.2
299.15240	1.0
308.98477	1.0
317.16156	1.2
379.12460	1.3
397.13565	8.7
415.14514	1.9
605.24506	19.1
606.24780	2.6
623.25708	7.0
792.45111	1.1
827.94525	1.0
861.48486	100.0
862.33508	1.5
862.48755	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	921.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32000	10.2
70.89651	0.9
71.01254	5.7
72.99183	2.6
73.02802	1.9
80.96363	1.0
83.01252	2.1
83.04885	1.0
85.02827	3.8
87.00751	1.9
89.02309	2.0
93.03326	3.2
95.01216	1.1
96.95886	8.9
97.06473	1.2
99.00777	2.2
99.04389	4.2
101.02324	3.0
109.06470	1.5
109.54649	1.0
113.02309	3.5
119.04907	1.4
121.02831	1.4
121.06425	1.1
133.02913	1.2
134.06007	1.4
135.04417	1.9
145.02901	1.6
147.04359	1.2
151.00317	1.1
161.02298	1.1
165.12769	3.8
167.10693	1.3
167.47836	1.1
173.04471	3.2
175.03969	1.7
190.06277	1.3
191.03810	1.1
191.05550	8.6
191.07179	1.5
193.05048	1.0
203.06961	1.5
207.13881	6.0
209.11757	21.3
210.12082	2.2
225.14897	14.5
226.15196	1.4
227.12836	100.0
228.13142	4.7
251.12845	3.0
255.03137	1.5
269.08252	2.2
269.13895	18.1
279.06726	1.4
281.08221	6.0
282.08740	1.7
283.09729	1.7
287.15002	54.3
288.15305	3.0
293.08340	2.1
294.08929	2.3
296.10376	1.1
297.07758	8.9
297.11035	1.7
309.07639	20.2
309.11258	5.9
310.08191	1.9
311.09235	1.8
311.12845	1.2
312.10025	9.9
323.09180	4.2
323.12708	1.3
324.10019	21.7
325.10373	1.9
327.08737	1.7
327.12369	22.9
328.12643	1.7
339.12357	38.0
340.12643	3.1
367.10605	1.1
489.10645	1.2
505.31705	1.2
528.42035	1.1
566.89911	1.1
615.20972	2.2
625.26471	1.7
633.22150	5.2
651.23041	15.3
652.22894	1.9
735.57733	1.2
878.42468	1.0
903.36761	12.5
904.37256	1.3
921.37579	81.3
922.38013	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	919.491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	2.4
69.86897	9.3
71.01253	100.0
72.99186	2.2
73.02828	6.8
78.95773	2.8
79.95593	2.9
80.96407	4.3
83.01284	2.6
85.02824	5.5
87.00733	7.9
89.02317	21.6
95.01282	2.5
96.95894	5.9
97.02834	6.6
99.00756	3.7
100.37309	1.8
101.02319	18.1
109.06467	9.7
111.04432	1.9
113.02347	10.7
115.54993	1.7
119.03403	3.8
125.02326	7.9
125.09612	3.9
127.11179	3.2
135.08044	2.9
143.03378	2.5
155.10715	2.3
161.04488	3.7
161.54648	1.5
163.11211	5.0
171.10188	57.7
171.82176	1.4
172.10574	1.8
179.05527	5.3
181.08739	1.8
181.12216	3.9
193.64969	1.4
199.09677	16.0
199.13345	2.8
201.11259	25.3
201.13014	2.7
207.10182	26.9
209.11736	3.1
211.13234	2.1
217.10678	2.6
221.06664	3.0
225.11256	20.4
235.08200	7.0
243.12408	4.7
265.14682	2.6
277.21735	53.4
278.22186	3.4
293.21353	2.4
379.12341	4.7
397.13550	34.0
398.14288	1.6
408.68973	1.6
415.14481	10.6
579.23053	2.4
597.24677	1.9
605.24567	2.7
623.25641	3.6
857.45331	2.7
883.46722	8.9
884.47595	3.2
901.46667	3.3
919.49414	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.8
69.28145	7.0
69.28562	3.2
71.01252	7.9
72.05540	0.8
72.99163	2.4
73.02808	3.3
83.01293	1.0
83.04884	1.5
85.02824	5.4
87.00731	3.0
89.02304	2.8
93.03323	3.0
95.01227	1.7
96.95901	7.7
97.06382	1.0
98.20488	2.1
99.00172	1.1
99.00752	6.3
99.04398	3.9
100.66459	1.1
101.02319	5.1
101.55402	0.9
101.78286	1.0
109.02824	2.4
111.04404	1.1
111.08057	1.3
113.02329	4.6
114.64933	0.9
120.60464	0.9
121.02847	1.5
128.03429	1.0
134.03664	1.3
135.04399	2.8
136.00504	2.0
136.01552	40.0
137.02283	1.5
146.03661	0.9
151.03914	58.9
152.04242	1.4
155.10660	1.5
156.21693	1.2
160.01624	1.5
160.05136	1.1
162.06679	1.9
165.12802	4.6
167.10791	1.4
173.04498	2.7
175.02473	1.2
175.03912	3.2
175.07462	1.5
176.04695	1.7
177.01808	1.6
177.09059	2.3
191.05495	4.4
191.06987	1.9
207.13786	5.6
209.11737	16.8
214.52533	1.0
225.14908	13.9
227.12831	100.0
228.13158	3.7
251.12869	3.1
269.13943	18.4
285.17017	5.2
287.14996	48.5
288.15295	2.7
325.10483	1.3
327.12369	4.5
339.12360	5.0
342.11029	3.4
343.11847	2.0
357.13425	23.7
358.13803	2.5
397.13129	1.8
633.21771	9.6
634.21942	1.3
651.22870	19.1
652.23010	2.6
693.24963	1.3
861.44409	1.3
903.36877	11.6
904.37128	2.0
909.54913	1.2
921.37640	84.6
922.37927	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	919.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01751	1.0
69.03298	1.4
71.01250	100.0
72.01599	1.7
72.99191	2.1
73.02808	4.0
78.95790	2.3
79.95558	0.9
80.96362	0.9
81.03346	1.0
83.01247	2.0
83.04878	0.8
85.02810	5.3
86.83047	1.0
87.00757	4.5
89.02309	14.7
95.01266	1.5
96.95891	8.6
97.02810	3.9
97.06462	0.9
98.20547	2.5
99.00749	3.2
101.02312	12.4
109.06474	5.6
111.00723	0.9
113.02299	6.9
119.03413	2.9
125.02308	6.1
125.09625	2.1
127.11163	2.7
141.01743	0.9
143.03363	2.9
153.09077	1.0
161.04436	3.2
163.11159	3.7
171.10184	54.9
172.10515	2.4
179.05516	4.6
181.12253	2.4
199.09697	10.7
199.13339	1.3
201.11230	17.4
207.10223	16.2
209.11783	2.0
221.06558	3.2
225.11310	15.4
235.08098	4.5
241.71576	0.9
243.12361	3.4
253.09045	1.8
277.21710	43.7
278.22107	3.2
293.21188	1.3
305.08722	2.1
313.17874	1.2
323.09793	1.1
379.12534	2.9
397.13483	25.5
398.13855	1.4
415.14648	8.2
429.17426	0.9
597.24023	1.5
605.24231	1.1
623.25507	2.9
857.45825	1.3
883.47211	6.2
884.47614	2.5
919.49335	10.5
920.49890	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	919.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	1.7
69.23430	1.5
69.23836	11.4
71.01252	100.0
72.99170	1.9
73.02826	4.5
78.95780	2.3
79.51871	1.0
79.95599	1.8
80.96388	2.6
81.03382	1.3
83.01258	2.9
85.02798	6.1
87.00748	6.6
89.02313	16.3
95.01279	1.6
95.04885	1.4
95.40073	1.0
96.95884	1.9
97.02820	6.7
99.00766	3.1
101.02322	18.2
102.02618	1.5
109.06448	5.5
111.00723	1.2
113.02331	10.0
119.03392	3.4
125.02309	7.1
125.09634	2.5
127.11215	3.0
137.09564	1.4
141.01881	1.3
143.03416	3.8
155.10641	1.1
161.04437	4.4
161.41849	1.2
163.11194	5.6
171.10181	47.0
172.10492	1.4
179.05539	4.3
181.12183	2.3
199.01912	1.2
199.09677	13.6
199.13368	1.7
199.73853	1.0
201.11247	16.7
207.10168	21.7
208.10533	2.2
209.11713	2.5
221.06584	3.2
225.11267	16.1
235.08168	7.6
243.12456	2.7
253.09187	2.0
277.21707	67.0
278.22064	5.5
287.07672	1.7
302.58685	1.1
305.08789	1.5
323.09769	1.4
379.12570	5.0
397.13498	36.7
398.13779	3.5
415.14627	11.2
415.19992	1.7
544.51624	1.2
605.24335	1.7
847.70276	1.4
857.45642	2.3
883.46936	9.3
884.47662	3.6
896.52551	1.5
901.47937	3.3
919.48901	18.7
920.48932	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	915.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	0.5
71.10960	0.8
71.66879	0.4
73.02805	0.4
77.01087	0.4
83.01234	0.6
85.02827	1.1
87.00723	0.5
89.27264	0.4
92.09845	0.4
93.03341	0.9
96.95885	7.5
107.01282	1.3
109.02840	0.5
113.91803	0.4
125.02445	0.4
133.02884	0.5
135.00772	0.8
135.04308	0.5
151.00296	3.8
163.00255	1.6
169.01257	0.5
173.04497	1.2
178.99802	2.3
187.07550	0.6
191.05533	2.9
192.05872	0.6
199.03748	0.6
201.59218	0.6
213.09138	0.6
214.09633	0.5
216.04222	0.5
226.02649	3.5
227.03415	1.9
231.10260	1.0
243.02977	10.8
254.02135	4.1
255.02951	5.1
257.08035	1.0
271.02469	43.5
272.02930	3.5
275.09320	1.0
299.01968	1.3
300.02747	54.9
301.03433	14.3
302.03720	1.3
303.09192	0.9
316.02258	0.5
321.10077	2.1
343.04312	0.7
435.36774	0.5
449.14468	0.7
450.14935	0.6
451.16055	1.3
462.08069	0.9
463.08820	100.0
464.09229	8.5
465.08951	0.8
555.13654	0.5
698.17657	0.5
871.01685	0.5
948.91473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	2.3
69.87282	4.6
71.01247	23.5
72.99168	1.5
73.02816	2.5
75.00779	1.1
80.02546	1.8
81.03342	2.6
81.45251	0.9
83.01272	3.3
83.04897	7.2
84.02029	1.2
85.02817	4.6
87.00739	4.2
89.02314	13.8
92.92655	1.1
93.03368	1.2
95.01250	1.1
95.04935	2.1
96.95901	3.3
97.02834	5.2
97.06460	2.8
99.00799	1.7
101.02322	14.5
109.06480	6.4
111.00755	1.0
111.08031	1.9
113.02320	7.6
119.03394	4.1
123.04422	1.9
123.08052	1.5
125.02339	4.7
125.09605	3.4
133.44362	0.9
135.08051	2.1
137.09586	1.5
142.02673	1.2
143.03404	3.2
151.11203	0.9
153.12781	0.9
161.04491	3.2
161.09573	1.7
163.11198	13.3
165.12758	3.2
169.12378	0.9
171.10173	3.8
179.05510	4.0
181.12267	3.8
182.14548	1.0
185.11749	3.7
191.05502	1.5
191.10722	1.6
191.14389	2.1
197.11771	10.1
199.13301	1.3
207.10167	16.3
208.10480	1.4
209.11760	100.0
210.12079	3.9
211.13374	3.0
221.06560	2.1
225.11282	11.3
227.12817	15.2
235.08112	5.0
245.19098	6.9
253.09183	1.5
263.08081	1.0
263.20120	2.9
287.07855	1.0
289.18063	29.9
290.18359	2.0
291.19702	3.9
293.21188	1.2
305.08774	1.6
307.19125	32.2
308.19351	2.7
309.20682	13.1
310.20972	1.1
379.12439	3.5
397.13446	31.7
398.13913	2.1
415.14539	12.4
605.24292	1.9
623.25201	2.4
758.64099	1.3
799.37823	2.0
897.44958	3.4
915.45892	14.5
916.46417	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	915.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71414	30.2
71.01257	40.8
72.99187	5.8
73.02821	9.1
75.00770	4.3
80.96397	12.4
85.02832	9.4
86.01463	4.3
87.00766	11.0
88.93834	4.6
88.98651	5.4
89.02301	26.6
94.97982	6.2
97.02845	6.4
99.00747	5.3
101.02318	25.1
109.06481	10.3
113.02367	9.2
119.03445	6.1
125.02332	8.7
161.04411	7.5
163.11209	8.7
164.98454	4.9
171.10165	18.1
179.05528	7.8
181.08655	9.3
182.80083	5.7
197.11826	5.6
199.09674	36.4
201.11264	7.5
207.10204	37.3
209.11790	7.9
225.11324	41.9
235.08171	8.7
255.23256	68.7
256.23584	6.2
264.75705	4.4
277.21729	6.6
379.12482	9.1
397.13467	70.7
415.14478	13.5
579.23474	6.1
605.24353	10.8
635.36432	8.1
653.37549	18.4
835.46869	100.0
836.47443	24.9
861.48529	75.4
862.48730	9.7
880.93317	5.1
914.65912	5.6
915.46631	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	917.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.9
70.32983	1.5
70.34722	0.4
71.01252	18.7
71.04884	0.6
72.99172	1.9
73.02818	3.1
75.00746	0.7
76.69090	0.3
78.95780	1.5
79.59657	0.4
79.95165	0.4
79.95633	0.4
80.02547	1.7
81.03329	2.4
82.67243	0.4
83.01264	1.8
83.04902	6.5
84.02058	1.0
85.02811	4.6
87.00750	4.0
89.02315	13.0
93.03351	1.0
95.01279	2.0
95.04916	1.6
96.95886	6.5
96.96826	0.5
97.02818	4.4
97.06461	0.7
98.20420	0.4
98.86722	0.4
99.00751	1.3
99.04414	0.4
100.33265	0.4
101.02322	12.4
104.93861	0.4
109.02808	0.5
109.06487	1.2
111.00727	0.7
111.08032	6.0
113.01611	0.8
113.02331	8.6
115.03877	0.4
119.03407	3.7
123.08046	0.7
125.02324	6.0
125.05968	0.7
125.09621	1.2
127.03967	0.4
127.07574	0.6
131.03403	1.0
135.08063	0.8
137.09618	0.4
139.03894	0.4
141.01781	0.8
143.03404	2.9
149.04466	0.5
151.11179	0.5
153.12729	0.6
161.04456	3.2
163.11194	5.5
165.12756	4.1
169.12250	2.7
171.10181	6.3
173.04446	0.5
179.05542	3.8
179.10597	0.5
179.14354	0.5
181.12270	1.7
183.13875	0.9
185.11763	0.5
191.05611	0.4
191.10667	0.9
193.12253	0.8
197.11752	29.8
198.12079	1.0
199.13341	1.6
201.11264	1.6
207.10144	1.8
209.11761	100.0
210.12088	5.1
211.13391	4.1
221.06561	1.5
223.13371	1.1
225.11256	4.8
225.14915	0.4
227.12828	15.1
228.13266	0.8
235.08174	5.3
241.01151	0.5
247.20663	0.8
251.16640	0.8
253.09171	1.7
263.07657	0.6
263.20209	1.6
265.18103	0.7
273.18542	1.2
275.20166	0.8
287.07712	1.5
291.19659	17.8
292.19980	0.9
293.21201	8.5
294.21652	0.5
305.08771	1.3
309.20697	66.1
310.21048	4.0
323.09915	1.2
379.12405	3.1
397.13474	40.2
398.13806	1.6
415.08990	0.9
415.14584	15.0
416.15149	0.9
446.14484	0.5
501.32211	0.5
607.25806	1.6
623.25385	0.8
707.34821	1.5
739.61334	0.5
899.47186	0.9
907.55566	0.4
917.48718	0.8
943.42395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66280	1.4
69.03323	13.6
71.01254	9.6
71.04906	3.4
71.58647	2.4
72.99167	4.9
73.02834	3.4
78.83848	1.6
81.03358	1.5
83.04895	2.9
85.02821	5.3
87.00752	4.0
89.02320	4.8
93.03337	2.0
96.95889	13.3
99.00771	3.7
101.02331	7.0
108.02022	1.9
109.02831	3.5
111.04433	2.2
111.08039	2.7
113.02343	6.0
121.02844	3.4
125.02321	3.8
135.04358	3.4
136.01549	36.9
137.02322	2.4
137.09564	1.8
139.11177	33.1
139.12234	2.2
150.06807	3.9
151.03912	44.9
152.04210	2.0
160.05151	2.4
164.08330	2.7
165.05467	2.0
171.10208	2.4
173.04517	2.4
173.05913	2.2
176.04735	3.5
179.03362	2.0
179.05617	2.2
179.10692	4.8
183.10187	100.0
184.10504	4.0
191.05524	6.0
209.11778	40.9
223.13388	2.6
225.11391	1.8
227.12827	9.9
249.06218	1.7
267.16058	17.5
268.16403	2.7
269.17609	2.8
271.02509	2.4
312.09882	2.1
324.09845	2.4
327.12277	3.5
329.13907	3.6
336.77136	1.9
339.12427	11.1
342.11005	4.2
357.13443	28.9
379.12393	2.2
397.13470	13.2
415.14243	1.7
419.52832	2.0
420.84354	1.9
427.13153	1.6
460.24274	1.7
547.59003	1.7
589.24591	3.8
607.26074	5.0
623.23096	3.0
633.21832	8.5
637.39374	3.1
651.23065	6.8
652.22369	2.4
653.24335	4.4
655.40167	4.5
657.21973	5.5
675.22845	19.1
676.22583	2.9
693.23853	29.6
694.24170	4.3
697.41473	2.9
903.39679	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	903.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	0.9
70.45684	1.5
70.46040	1.4
71.01254	8.9
71.68625	0.7
72.99162	0.6
73.02813	2.1
80.02528	0.8
83.01257	1.3
83.04897	4.2
85.02808	2.3
87.00737	3.0
87.04374	2.3
89.02321	7.1
92.14115	0.6
93.03284	1.4
95.01247	0.9
95.04912	0.8
96.95882	5.2
97.02850	0.9
99.00745	1.6
99.04459	0.7
101.02333	7.2
109.02848	0.8
113.02316	3.8
119.03412	1.7
121.02839	1.1
125.02303	2.4
134.06036	1.2
134.38448	0.6
135.04399	1.0
136.01520	0.7
136.81317	0.6
137.09537	0.7
143.03400	1.8
150.06723	1.6
161.04433	3.2
163.07498	0.9
163.11198	3.2
163.86679	0.7
165.12733	2.6
173.04361	0.7
179.05525	3.1
179.10716	1.5
181.12233	0.9
191.05536	1.8
209.11760	100.0
210.12097	5.5
221.06499	1.1
223.13350	0.9
227.12828	26.6
228.13179	1.9
235.08160	2.5
269.14651	0.7
269.17538	4.0
284.03165	0.9
287.07739	1.1
300.02887	0.8
305.08679	1.1
309.07291	1.0
323.09637	1.0
339.12299	1.3
341.10931	0.8
379.12433	8.4
397.13458	38.4
398.13602	1.5
415.14587	7.6
416.15231	0.9
589.24902	8.2
590.25348	1.1
607.26044	12.0
608.26508	1.1
651.23285	2.9
655.40643	1.4
697.41650	1.2
799.38135	2.8
835.39514	1.5
903.39941	20.9
904.41040	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	911.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	100.0
73.02827	4.5
78.95779	6.5
83.01274	3.8
83.04881	2.7
85.02824	7.1
87.00750	7.3
89.02304	18.4
92.28158	2.9
95.01215	2.8
97.02824	11.5
97.06464	3.4
98.20584	5.5
99.00750	10.8
101.02324	21.1
109.06477	23.9
113.02319	11.1
116.92749	17.9
117.14571	3.1
117.77463	3.3
119.03383	6.0
125.02354	4.8
135.08075	4.7
143.03456	5.1
152.99532	2.9
161.04456	3.6
163.11206	14.1
171.10133	10.9
179.05591	6.3
179.59810	3.5
181.12282	9.8
201.11301	4.1
207.10190	62.1
208.10472	3.2
209.11703	5.9
225.11282	37.6
235.08173	6.1
241.01074	3.4
243.12427	6.2
255.23273	86.5
256.23624	6.1
309.16275	3.5
368.90210	3.1
372.45569	3.0
379.12424	5.2
397.13553	37.8
398.13702	4.9
415.14572	11.0
426.24936	3.4
438.37503	2.9
645.32184	2.9
861.48438	28.3
862.49524	11.4
879.48804	3.7
880.49854	3.8
911.51489	21.9
912.51447	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	903.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01245	9.7
71.06963	4.6
73.02834	2.2
75.00737	2.4
83.01262	3.7
85.02843	6.0
87.00750	10.2
89.15774	2.3
93.03320	5.6
94.06482	3.5
96.95891	17.6
99.00773	3.4
101.02338	4.1
106.06499	10.3
108.04424	2.5
113.02343	3.8
115.00250	15.7
120.08073	11.0
121.02822	2.1
122.06016	14.7
127.00266	8.1
132.04474	2.7
134.03662	2.6
134.06012	55.8
135.04372	4.1
137.90714	2.3
148.07600	8.8
152.07108	7.1
152.76273	2.4
154.00188	2.5
158.02400	2.4
158.05946	2.8
160.03981	5.1
160.06325	4.5
166.08667	6.7
173.04472	6.6
174.05510	5.0
175.02425	23.0
176.07051	4.0
179.54347	2.2
190.04970	9.6
190.08708	2.9
191.05508	13.9
194.08089	5.4
204.06445	2.4
213.10301	16.8
223.13409	3.4
239.11818	11.1
241.13448	10.1
248.09265	3.0
249.10553	5.1
251.11909	4.4
263.08243	4.8
263.11819	3.1
265.09799	7.0
267.11688	3.3
276.08997	5.3
277.09775	9.6
278.06964	2.9
278.10507	5.7
279.11258	13.0
285.03955	3.5
285.12457	39.2
286.04288	3.6
290.10287	2.9
291.11359	5.8
293.09540	4.3
293.12961	8.7
295.10922	3.3
303.07553	2.8
305.09283	12.8
306.09872	3.3
307.10873	8.9
309.12363	3.6
311.45187	2.5
323.10287	4.0
325.11627	3.1
326.99789	2.8
337.11926	23.6
349.11942	3.0
358.15500	9.9
365.11288	3.9
384.17621	4.3
397.13959	35.1
398.14624	6.7
400.16852	11.2
412.16815	7.4
426.18362	4.8
438.33240	3.1
562.22345	3.2
565.24408	4.0
574.21735	27.1
586.18524	4.2
591.21790	2.7
603.21863	3.0
607.25690	27.7
616.22919	3.8
618.21027	10.6
619.21307	5.0
630.21014	3.2
639.27490	3.0
642.20941	6.9
643.21600	3.9
644.19153	4.6
651.24561	73.6
652.24329	9.6
653.24139	3.8
660.21399	11.4
665.26080	5.8
674.23529	5.2
675.23969	7.8
676.21967	15.4
677.21295	3.3
683.27148	100.0
684.27155	14.3
692.24329	8.8
693.25592	4.9
709.25250	36.5
710.25378	6.3
718.22906	3.3
736.23279	3.7
741.27972	23.1
742.28369	4.2
799.29126	3.7
903.36737	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	901.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
68.17322	0.4
68.28242	0.5
69.03302	0.9
70.15053	1.6
71.01253	17.1
72.01588	0.5
72.99187	1.5
73.02813	1.4
80.02538	1.0
81.03326	1.6
83.01242	1.4
83.04898	6.2
84.02043	0.6
85.02839	3.5
87.00747	2.7
89.02316	13.5
93.03320	0.7
95.01273	1.4
95.04919	1.3
96.95886	7.8
97.02833	3.1
99.00776	0.8
101.02326	11.4
109.06458	0.7
111.04428	0.8
113.02329	6.6
119.03385	4.2
125.02342	4.8
125.05951	0.8
125.09595	0.6
131.03377	0.7
135.08046	1.2
137.02321	0.6
143.03391	2.1
149.04480	0.7
161.04475	3.8
163.11171	5.2
165.12782	2.7
169.12239	0.8
171.10176	0.7
179.05521	4.2
181.12259	1.0
183.13846	0.6
191.10681	1.2
195.13815	5.4
196.14513	0.5
199.13300	0.7
201.87753	0.6
207.10213	1.5
209.11760	100.0
210.12122	5.6
211.13327	2.3
217.06927	0.5
221.06863	1.0
223.13330	3.9
225.11194	1.4
227.12830	13.7
228.13263	0.6
235.08163	5.0
235.16977	2.2
238.25691	0.5
241.70511	0.5
249.21964	0.5
251.12944	0.6
253.09283	1.6
256.13171	0.8
263.27090	0.5
265.21490	0.6
271.02505	0.6
275.20154	7.1
287.07755	0.8
293.21216	94.4
294.21552	7.7
295.22641	0.9
300.02823	0.7
305.08777	1.7
309.20703	1.4
323.09573	1.2
379.12393	3.2
397.13467	38.8
398.13937	2.7
415.14514	13.7
416.14667	1.3
456.00107	0.5
485.33362	0.6
535.98798	0.5
607.26044	2.4
625.25861	0.8
628.11005	0.5
691.35199	0.9
901.46936	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	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.1
71.01253	16.8
71.04890	0.5
72.99181	1.4
73.02818	2.7
75.00735	0.5
80.02538	1.2
81.03310	1.8
83.01263	2.2
83.04903	6.0
83.20028	0.4
84.02030	0.9
85.02826	3.8
87.00749	3.5
87.04396	0.5
89.02315	11.6
95.01250	2.1
95.04897	1.2
96.95880	6.0
97.02820	2.2
97.06447	0.6
98.20551	0.9
99.00751	1.0
101.02325	10.6
109.06471	0.6
111.00797	0.5
111.08041	0.6
113.02324	6.9
113.09624	0.5
115.39423	0.3
119.03404	3.0
125.02320	4.3
125.05957	0.6
131.03384	0.7
133.04881	0.5
135.08054	0.9
139.03925	0.5
141.01894	0.7
143.03433	1.9
157.17490	0.4
161.04425	2.6
163.11209	4.6
165.12743	3.0
171.10144	1.4
179.05536	3.8
181.12302	0.9
183.13821	0.6
188.76981	0.4
191.05444	0.6
191.10591	1.0
193.12276	0.4
195.13852	5.8
196.14474	0.5
197.11743	0.6
199.13361	0.6
205.12328	0.7
207.10277	0.4
209.11765	100.0
210.12125	4.6
211.13368	2.2
217.07013	0.6
219.05028	0.4
221.06590	1.5
223.13359	4.6
225.11304	0.7
227.12830	13.0
228.13263	0.7
235.08151	3.3
235.17003	1.3
253.09352	1.1
256.13187	0.7
275.17245	0.3
275.20129	7.4
287.07684	1.2
293.21216	98.6
294.21545	8.8
295.22678	0.6
299.01822	0.5
305.08768	1.5
309.20615	1.0
323.09900	0.9
341.23291	0.9
379.12396	3.5
380.12503	0.7
397.13489	37.2
398.13977	2.2
415.14551	13.4
416.14844	1.2
589.24902	0.8
607.25861	2.3
608.26495	0.5
673.34344	0.5
691.36371	0.9
832.41632	0.5
901.45953	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	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03304	1.7
70.07713	5.8
71.01250	30.5
71.04891	1.8
72.99190	3.2
73.02820	4.1
79.95590	1.6
80.44829	1.1
80.96381	3.5
83.01250	2.4
85.02797	6.3
87.00742	4.9
89.02318	12.3
94.98010	1.3
95.01268	2.2
96.95892	3.0
97.02843	7.2
97.06473	1.4
99.00744	10.8
101.02323	13.9
109.06464	2.8
110.03661	1.4
113.02318	6.4
119.03388	2.3
125.02343	4.8
125.09625	5.6
141.01634	8.9
142.02597	1.5
143.03349	1.7
161.04439	3.0
163.11179	7.5
167.55226	1.0
171.10179	18.6
179.05505	2.1
181.12256	16.2
182.12598	1.2
197.11798	3.0
199.13313	14.5
201.11314	4.7
207.10193	39.0
209.11737	3.1
221.06618	4.0
225.11258	55.7
226.11612	3.2
235.08170	2.4
243.12364	16.0
277.21704	36.5
278.22040	4.4
293.21429	1.6
295.22687	1.8
311.22195	1.3
379.12360	2.1
397.13501	19.6
398.14072	1.4
415.14514	4.1
538.46674	1.2
605.24518	4.2
623.25549	9.2
883.46967	13.6
884.47375	3.0
901.47906	100.0
902.48010	19.7
907.54688	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	899.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
67.07092	0.7
69.03309	5.0
71.01251	17.4
71.04885	1.4
72.99159	1.6
73.02811	2.5
78.95782	1.6
80.96378	2.3
83.01251	1.9
83.04891	1.6
85.02826	3.3
87.00753	3.3
89.02318	7.3
94.97955	0.8
95.01244	1.3
96.95895	0.9
97.02820	3.0
97.06478	1.4
99.00764	1.2
101.02321	9.1
109.06492	1.2
111.04350	1.1
111.69037	0.7
113.02343	4.2
119.03422	2.1
123.08012	1.2
125.02351	1.7
125.09605	2.0
131.95351	0.7
133.06505	0.8
143.03374	1.0
144.78941	0.8
151.11176	2.3
153.12794	1.0
161.04456	1.1
161.09654	3.2
163.11150	1.4
171.10135	2.4
179.05484	1.0
179.10692	6.2
197.11761	36.6
198.12102	2.2
207.10159	2.5
209.11783	9.0
211.13515	0.9
214.25250	0.8
221.06621	2.2
221.16507	0.9
223.09669	2.1
225.11230	2.1
227.12885	1.0
235.08162	1.8
241.10693	2.2
253.09230	1.6
277.21707	31.0
278.22064	1.8
293.21207	2.3
309.20737	1.2
341.23254	1.1
397.13400	3.5
415.14560	1.3
523.27643	1.0
881.46094	1.3
899.46423	100.0
900.46832	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	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	3.5
69.33157	1.3
69.33557	7.3
69.95766	0.9
71.01254	16.2
71.04880	2.1
72.99162	1.0
73.02792	2.9
77.41370	0.8
78.95779	1.0
79.95615	1.0
80.96380	3.6
83.01234	2.8
85.02821	3.5
87.00739	2.8
89.02310	9.3
94.97919	1.2
95.01244	1.2
96.95882	1.0
97.02805	2.6
97.06490	0.9
101.02324	9.2
111.00813	0.8
113.02326	4.1
119.03353	2.1
125.02354	1.7
125.09584	1.8
133.10190	1.0
151.11198	2.0
153.12743	1.0
161.04411	1.5
161.09587	2.3
171.10153	3.1
175.02357	0.9
179.05518	1.3
179.10666	4.3
197.11761	55.0
198.12061	2.2
202.91357	0.8
207.10097	2.0
209.11800	5.6
211.13412	1.0
220.86885	1.0
221.06589	1.5
223.09691	2.6
223.13281	1.0
225.11307	1.1
233.65184	0.9
235.08145	1.7
241.10709	3.8
277.21686	21.4
278.22034	1.2
293.21085	2.4
295.22751	3.6
397.13550	5.1
415.14407	2.1
456.26913	0.9
639.24646	1.2
789.97791	1.0
899.46417	100.0
900.46661	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	899.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.6
71.01249	32.2
72.99155	2.3
73.02815	3.1
74.84462	1.2
75.00774	1.5
79.95602	1.5
80.96387	2.5
81.03330	4.5
83.01279	1.9
83.04896	3.8
85.02818	7.2
87.00751	4.5
87.96570	1.0
89.02318	15.7
93.03316	1.8
95.01252	2.9
96.95892	10.6
97.02312	1.4
97.02834	13.4
97.06457	1.5
99.00735	4.0
101.02324	18.7
106.04170	1.0
109.02805	1.5
109.05708	1.7
109.06465	35.6
111.00687	1.2
113.02313	11.1
119.03399	5.2
121.06452	2.3
123.04407	3.3
125.02351	5.5
125.09516	1.2
134.71420	1.1
134.72559	1.4
135.08040	4.9
136.05132	1.6
141.01666	4.1
142.02617	3.2
143.03383	2.5
149.88873	1.1
161.04424	2.7
161.09569	2.0
163.11200	19.0
171.10185	3.6
179.05495	4.8
179.10654	1.4
179.14381	1.4
181.12273	6.8
183.13768	1.6
189.09119	2.7
191.05531	1.5
195.13837	7.7
197.11681	1.7
205.12070	1.7
207.10202	90.9
208.10449	3.4
209.11757	20.9
210.12199	1.2
211.13332	5.0
221.06624	2.8
223.13377	5.9
225.11273	53.9
226.11646	2.5
227.12865	3.3
235.08159	3.4
253.09254	1.5
275.20078	5.7
281.14078	1.3
291.19644	7.2
293.21231	100.0
294.21515	5.7
299.15234	2.1
305.08755	1.8
397.13480	40.8
398.13739	1.7
415.14578	18.2
416.14612	1.6
457.33527	1.3
474.66479	1.6
500.32700	1.4
605.24536	7.8
623.25555	10.0
624.25195	1.4
673.34955	1.3
691.35693	1.5
881.44910	3.9
899.46411	56.2
900.46674	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	897.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07535	0.5
68.99689	0.7
69.03316	1.6
70.89381	0.9
71.01251	100.0
72.01578	1.7
72.99170	1.6
73.02806	4.2
73.15998	0.4
75.00739	2.7
78.95786	1.0
80.02538	0.4
80.96389	0.7
81.03324	1.5
83.01257	2.7
83.04904	1.1
85.02819	4.5
85.80118	0.4
87.00751	5.4
89.02312	14.4
95.01255	1.3
95.04929	0.5
97.02821	5.1
99.00771	2.2
99.04436	0.4
101.02325	17.0
109.02818	0.8
109.06473	4.6
111.00755	0.8
111.04417	0.8
113.02330	7.6
115.03887	0.4
119.03404	4.0
121.06467	0.4
123.08003	0.8
125.02330	6.6
125.09575	2.4
127.11173	1.6
131.03384	0.8
131.32045	0.4
133.04993	0.7
135.08044	0.7
137.02325	0.5
137.09601	0.5
139.03888	0.7
141.01811	0.6
142.02637	0.6
143.03377	3.3
153.09117	0.7
155.10683	1.1
161.04462	4.0
161.12677	0.4
163.11221	3.4
164.11494	0.5
167.03381	0.6
171.10176	49.3
172.10526	1.6
179.05528	4.1
181.08586	0.6
181.12257	1.2
185.11723	0.5
197.11749	0.6
199.06041	0.9
199.07948	0.8
199.09698	9.5
199.13261	1.1
200.10046	0.5
201.09505	0.8
201.11252	9.4
207.10205	13.8
209.11830	1.3
215.12805	1.0
217.07130	1.0
221.06599	1.6
221.11674	1.3
225.11259	9.1
235.08191	5.8
239.12943	0.8
243.12424	2.1
253.09392	1.0
255.23262	64.9
256.23587	5.8
263.07709	0.6
269.24753	0.6
277.21603	1.3
287.07742	1.5
305.08896	2.1
309.20847	0.8
311.22055	0.6
323.09897	0.6
361.11435	0.5
379.12415	5.2
397.13492	35.2
398.13904	3.2
415.14578	8.5
416.14767	0.5
456.88666	0.5
579.22992	0.8
605.24524	1.3
623.25684	1.2
653.37573	1.0
835.46954	1.7
836.47711	0.6
861.48328	7.1
862.49243	2.7
879.49463	1.5
897.50616	10.0
898.50421	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	897.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29433	0.5
69.03338	1.1
70.08963	1.2
70.09370	1.8
71.01253	100.0
72.01597	1.6
72.95190	0.6
72.99175	1.5
73.02818	3.7
75.00755	2.4
78.95770	2.3
79.94125	0.5
81.03323	1.1
83.01273	2.5
83.04891	0.6
85.02834	5.2
87.00746	5.1
89.02319	15.3
95.01279	1.5
97.02836	4.7
99.00748	3.0
101.02322	15.8
109.02839	0.9
109.06458	4.4
112.56303	0.6
113.02330	8.8
119.03391	3.7
125.02335	7.3
125.09620	2.0
127.11163	2.1
131.03407	1.2
136.05186	0.7
141.01859	1.0
142.02666	0.8
143.03381	3.0
155.10721	1.3
155.67665	0.6
161.04445	4.8
163.11197	2.4
167.03322	0.6
171.10178	53.0
172.10548	2.8
179.05554	4.1
181.12265	1.2
185.11798	0.7
199.09674	9.6
199.13336	1.2
201.11249	10.4
207.10187	12.3
209.11815	2.0
217.07047	0.9
221.06647	1.8
221.11867	3.2
225.11263	10.0
235.08215	5.3
239.12833	1.6
243.12344	1.4
245.06346	0.8
253.09198	1.4
255.23268	66.1
256.23718	4.6
269.25031	0.6
277.21786	2.3
287.07684	1.3
291.19812	1.3
299.30862	0.6
301.28769	0.6
305.08878	1.4
307.19022	0.6
309.20712	2.7
323.09940	1.0
379.12454	6.2
397.13492	35.8
398.13934	3.1
415.14597	8.2
416.14905	0.7
605.24597	1.4
623.25720	1.2
635.85571	0.7
653.37616	0.9
655.77148	0.6
835.47302	2.0
836.47028	0.7
861.48798	6.6
862.49774	2.1
879.49542	1.6
897.50385	11.6
898.50854	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	897.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	1.0
69.39880	2.1
69.40305	4.5
71.01252	100.0
72.01606	1.5
72.99184	2.4
73.02816	5.4
75.00744	1.1
78.95790	2.8
80.96365	1.3
81.03336	1.9
83.01263	3.3
83.04893	1.2
85.02807	6.2
87.00752	7.8
89.02315	17.4
95.01272	1.5
97.02832	7.0
98.19801	1.2
99.00768	3.2
101.02322	18.3
109.06483	6.5
111.04408	1.5
113.02345	10.6
119.03421	5.1
121.06493	0.7
123.08060	0.9
125.02328	7.5
125.09599	3.0
127.11195	2.5
131.03413	0.7
133.04997	0.9
135.08034	1.0
141.01624	4.8
143.03424	3.3
152.99538	1.0
155.10753	1.8
161.04456	3.4
163.11243	4.8
170.88416	0.9
171.10179	49.1
172.10559	2.2
179.05495	3.9
181.12277	3.1
199.09691	12.4
199.13393	2.1
200.39034	0.7
201.11246	16.4
207.10201	23.4
207.12148	1.4
209.11755	3.6
221.06686	3.1
225.11278	15.8
235.08174	5.5
236.20305	0.8
241.01228	1.0
243.12376	2.4
253.09328	1.0
255.23270	78.8
256.23587	7.2
269.24857	1.3
277.21692	1.2
287.07721	1.3
305.08902	1.4
379.12384	5.4
388.60620	0.8
397.13495	41.3
398.13907	3.1
415.14645	11.3
535.16559	0.8
579.22906	1.2
605.24890	1.8
623.25482	1.5
653.37817	1.5
790.61115	0.8
835.47504	3.4
861.48492	10.9
862.49292	3.4
879.49738	3.2
897.33868	0.7
897.50623	17.7
898.51166	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	899.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	0.7
71.01254	11.6
72.99177	1.0
73.02814	1.9
75.00739	1.0
76.25510	0.6
80.02537	1.0
81.03331	2.5
83.01247	1.7
83.04899	5.4
84.02026	0.9
85.02815	5.6
86.82792	0.7
87.00746	3.7
89.02319	8.1
93.03329	4.2
95.01267	0.8
95.04890	0.7
96.95896	3.8
97.02821	1.4
98.19770	1.2
99.00772	1.7
99.04404	0.7
101.02328	5.6
105.05671	0.6
109.02821	1.3
109.74548	0.7
113.02331	5.0
119.03393	2.8
121.02843	1.3
122.33922	0.5
125.02305	2.6
125.09566	0.8
133.02763	0.8
134.03600	0.6
135.04442	3.2
135.08051	0.7
136.01488	0.6
137.02342	2.1
143.03377	1.3
151.03911	1.1
161.04424	2.0
163.11226	4.7
165.12791	1.5
173.04489	3.7
179.03436	0.9
179.05527	1.5
191.05550	15.0
191.10699	0.6
192.05977	0.9
207.04999	1.1
207.10207	0.9
209.11763	100.0
210.12109	5.3
221.06438	0.8
225.11235	1.2
227.12813	16.5
235.08124	2.5
265.14499	0.7
305.08990	1.4
379.12433	5.2
397.13516	23.3
398.13956	1.6
415.14539	4.8
429.64551	0.7
449.14304	1.6
551.18964	0.9
589.25049	2.0
607.26147	3.6
718.74030	0.7
799.38019	0.8
899.31342	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	893.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87878	1.1
69.03316	1.7
69.86342	1.9
69.86754	4.5
71.01245	7.9
80.96395	1.8
83.01260	4.0
83.04930	1.4
85.02831	2.1
87.00748	1.5
89.02340	4.6
95.04903	2.7
96.95881	1.7
97.02839	2.7
97.06481	4.7
99.00787	1.8
101.02301	6.4
109.02871	1.4
111.00806	1.6
113.02331	3.5
119.03375	1.7
121.06438	1.7
123.04411	3.5
123.08073	1.4
125.09608	7.1
130.70934	1.3
135.08060	1.9
137.09627	4.2
143.03427	1.3
151.62448	1.1
161.04523	2.4
163.11220	7.1
171.10197	6.1
174.30862	1.1
177.12785	1.4
181.12277	2.8
185.11790	9.2
191.14354	11.0
197.11682	1.7
207.10207	4.6
209.11766	23.0
210.12045	1.5
211.13293	1.6
217.15953	1.4
225.11212	5.9
235.08070	2.7
237.11244	4.4
245.19102	20.1
246.19479	1.7
253.09277	15.8
255.23230	3.8
263.20181	5.2
269.24951	2.7
271.17029	3.3
287.82285	1.5
289.18100	100.0
290.18439	5.1
305.17535	1.5
307.19150	82.5
308.19348	5.5
379.12100	1.5
397.13443	3.6
499.30551	1.7
525.26837	2.3
543.28424	1.6
687.65729	1.2
893.47693	4.6
901.91809	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	895.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01242	12.3
74.78847	4.1
82.92484	4.3
87.00739	17.9
89.02312	6.7
97.06469	4.3
98.19781	11.9
101.02303	6.9
111.08043	15.4
113.02256	5.1
125.09550	4.9
144.73555	4.5
151.11070	4.7
169.12187	8.9
171.10149	12.9
172.10431	5.0
179.05449	4.8
185.11798	7.0
189.16296	3.8
191.14261	8.4
195.66090	3.8
197.11758	78.8
199.13338	8.7
207.10207	7.2
209.11784	28.4
211.13377	7.6
214.02870	4.5
225.11401	4.4
229.41260	5.1
235.08156	4.4
245.19090	13.9
253.09303	29.1
255.23177	5.7
263.19922	9.2
271.17017	4.6
279.23297	8.0
289.18103	83.6
290.18234	5.5
291.19595	26.5
307.19131	82.2
309.20703	100.0
310.21069	10.0
358.21405	4.0
378.79550	4.9
397.13327	6.2
895.48810	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
67.19096	2.9
69.62896	3.1
70.70450	2.7
71.01238	16.2
83.01233	2.9
83.04894	2.7
89.02310	6.5
89.35258	2.8
97.02827	5.2
97.06512	4.3
101.02332	9.9
104.00858	2.4
109.06527	2.5
111.08028	11.2
113.02311	5.0
125.09618	9.9
137.09621	3.4
161.04437	3.1
163.11200	9.0
165.09016	3.3
169.12231	8.0
171.10179	11.4
185.11757	6.9
191.14334	5.5
197.11757	61.0
199.13350	4.4
207.10190	4.4
209.11783	23.7
210.12053	3.1
211.13362	9.6
225.11482	3.3
227.12904	2.9
235.08182	4.2
237.11255	6.3
245.19034	18.0
253.09277	32.9
263.20135	8.0
271.16965	3.1
277.21661	3.7
289.18097	100.0
290.18445	5.7
291.19574	40.0
307.19159	87.4
308.19507	6.4
309.20703	96.3
310.20966	7.0
397.13336	3.5
403.25052	3.3
525.26837	6.1
540.33264	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	895.527
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58907	1.6
70.59332	2.7
71.01252	17.6
72.34899	0.8
72.99190	1.6
73.02824	4.0
75.00738	3.1
78.95779	3.3
79.08685	0.8
79.95602	1.1
80.78177	0.8
80.96385	2.1
81.03349	0.9
81.65492	0.8
83.01247	2.2
83.04905	5.2
85.02812	3.8
86.24513	0.8
87.00751	4.4
89.02312	14.8
90.16883	0.8
94.63325	0.8
94.97989	0.9
95.01285	1.2
97.02835	3.4
101.02322	13.2
109.06506	1.3
113.02331	5.1
115.03812	1.0
119.03399	3.2
125.02344	6.8
125.05918	0.8
143.03413	2.6
157.03658	1.0
161.04483	2.9
163.11197	3.5
165.12726	2.3
170.41809	0.9
171.10167	2.2
172.09674	0.9
179.05545	4.1
186.57149	1.0
186.94177	0.9
203.20758	1.1
209.11765	100.0
210.12154	5.1
217.07057	1.1
221.06699	0.9
225.00723	1.1
227.12834	13.3
235.08148	4.4
241.01100	1.2
255.23270	55.8
256.23547	4.8
287.07639	1.7
293.21198	0.9
305.08835	2.1
323.09552	1.4
379.12436	11.4
397.13495	46.8
398.13904	3.4
415.14536	5.8
589.24774	1.8
607.26843	1.7
635.36908	1.3
653.37524	3.4
895.48822	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	897.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52465	32.2
69.52898	22.9
70.06245	6.1
71.01266	11.3
73.62687	6.1
75.00785	6.6
80.96365	12.3
84.62043	6.0
89.02325	11.5
93.70243	5.8
99.00764	10.2
101.02299	9.7
110.21960	6.3
113.10834	7.1
130.04677	7.2
133.02812	6.5
181.12227	11.0
188.52504	6.4
207.10226	27.8
209.11777	13.8
225.11305	60.6
243.12283	11.7
255.23166	49.3
291.19574	12.7
306.21356	6.1
309.20651	19.6
350.66385	8.6
397.13315	12.2
605.24908	31.9
861.48737	99.8
862.48657	16.3
897.46362	100.0
898.46423	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	897.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12926	0.5
69.03294	3.0
70.28288	0.5
71.01254	16.3
72.99169	1.7
73.02798	2.1
75.00746	1.0
81.03324	0.9
83.01264	1.6
83.04902	0.8
85.02821	4.4
85.49270	0.5
87.00751	3.7
89.02316	13.0
93.03349	0.5
95.01245	1.7
96.95867	0.7
97.02843	2.6
98.19762	1.3
99.00715	1.1
101.01689	0.8
101.02319	11.3
111.04378	0.9
113.02327	7.9
119.03403	3.7
125.02336	4.6
125.09569	0.6
139.03926	0.6
143.03381	1.5
149.09627	0.4
151.97783	0.5
153.28453	0.5
161.04485	2.5
167.10703	3.3
171.10126	0.8
177.12767	0.6
179.05531	3.8
179.10684	1.6
179.14331	3.4
191.05600	0.6
195.13838	15.2
196.14284	0.8
205.12283	7.3
209.11722	2.7
211.13277	0.9
221.06636	1.8
223.13344	67.7
224.13724	3.4
225.14893	1.1
235.08188	3.6
253.09216	0.9
256.13165	1.2
265.14615	0.5
275.20074	4.6
287.07819	1.8
293.21225	100.0
294.21570	6.9
305.08786	1.5
323.09924	1.4
343.84995	0.5
379.12469	2.1
397.13495	32.9
398.14008	1.5
415.14532	12.4
416.14929	0.6
448.89294	0.5
531.05725	0.5
537.13507	0.5
603.26740	3.3
621.27594	7.7
622.27869	0.8
673.34686	1.3
691.35394	1.7
897.47729	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	887.4645
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98698	2.6
66.82317	1.0
69.03293	1.8
69.92460	1.0
71.01253	16.3
72.99182	1.8
73.02808	2.6
75.00722	1.0
81.03330	1.2
83.01257	2.4
85.02814	3.1
87.00738	2.3
89.02305	9.5
95.01232	1.5
95.04911	1.0
96.95884	44.5
97.02869	1.9
97.06461	3.7
99.00726	1.4
101.02301	8.5
108.16648	1.2
113.02373	4.9
113.02975	1.0
116.92732	7.3
119.03357	3.1
125.02364	2.4
131.03304	1.0
133.04924	2.1
143.03340	1.4
151.00244	1.3
151.11174	11.2
152.11566	1.2
155.00476	1.0
161.04439	1.3
169.12248	64.9
170.12589	2.4
171.10225	1.7
179.05576	1.5
191.05562	1.3
195.10133	1.5
195.13799	3.2
197.11761	1.1
209.11815	2.5
213.11301	8.1
221.06595	3.3
223.13417	1.8
225.11150	1.2
227.12691	1.2
235.08150	1.7
253.09308	2.1
255.02870	1.8
275.20087	1.6
277.72736	1.1
284.03119	1.3
293.21222	9.0
294.21841	1.6
397.13342	2.9
415.14832	1.5
611.25549	2.7
647.92865	1.1
887.46460	100.0
888.46906	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	2.6
67.84357	0.7
69.03345	0.9
71.01250	16.5
71.57439	0.8
72.99178	1.3
73.02817	2.2
75.00833	0.5
78.98449	0.8
79.95590	2.0
80.02551	1.1
80.96391	4.5
81.03326	1.7
82.76331	0.6
83.01249	2.3
83.04893	4.8
84.02063	0.8
85.02824	4.4
87.00753	4.4
89.02313	14.0
90.02699	0.5
94.97976	0.9
95.01252	0.9
95.04882	0.9
97.02828	2.4
99.00749	1.3
99.04356	0.7
101.02319	11.1
111.00714	0.5
113.02329	5.6
119.03385	2.7
125.02338	5.5
127.03933	0.8
135.08060	1.0
139.03922	0.9
143.03394	2.6
148.98990	0.7
149.04488	0.7
161.04449	3.9
163.11162	3.8
164.98534	1.1
165.12764	2.4
179.05537	3.8
181.21526	0.6
191.10716	1.2
199.06023	0.5
209.11760	100.0
210.12088	4.1
221.06583	1.1
225.00636	1.6
225.11150	0.8
227.12798	11.2
228.13232	0.7
235.08182	5.6
251.12712	0.8
253.09225	1.1
277.21637	0.8
279.23267	59.2
280.23679	4.3
287.07785	2.0
295.22849	0.7
305.08783	2.2
323.09769	1.1
379.12405	6.0
397.13486	36.4
398.13757	2.0
415.14551	7.6
494.19333	0.6
887.47931	6.0
888.46997	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	889.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
96.95895	4.4
101.02353	0.4
103.00257	1.1
104.04926	2.6
106.06512	4.7
122.06007	0.7
129.21678	0.4
130.06480	1.1
134.06017	40.3
135.06343	1.2
141.46602	0.4
148.03943	25.3
149.04277	1.2
152.07057	1.5
160.03946	14.1
161.04774	2.0
161.31534	0.4
162.05511	0.5
173.04520	0.5
174.05515	13.3
175.05779	0.4
177.00006	0.3
191.05563	0.4
193.03749	1.1
199.57613	0.4
204.94876	0.4
223.12395	0.8
229.77287	0.5
237.06715	2.0
251.07994	2.0
252.09105	1.0
265.06143	0.9
266.10580	0.9
267.11383	19.3
268.11798	1.0
279.07727	1.0
280.08548	1.7
281.09000	0.4
284.03442	0.5
289.11090	1.9
295.10870	92.5
296.11172	6.6
313.11841	1.5
355.12985	100.0
356.13303	7.5
436.46490	0.5
466.94907	0.5
489.10269	0.5
783.65582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.2
71.01250	16.7
72.99189	0.9
73.02800	3.0
75.00764	0.6
78.95775	0.7
79.31680	0.6
79.63983	0.5
79.86438	0.7
80.71037	0.6
80.96379	1.5
81.03329	1.2
81.23729	0.6
81.93324	0.6
83.01247	1.6
85.02816	4.8
87.00752	4.9
89.02322	12.8
91.03912	0.6
95.01284	1.5
97.02811	3.5
99.00758	1.1
100.90508	0.5
101.02321	12.7
113.02333	8.9
115.69853	0.6
119.03381	3.8
121.02812	0.8
125.02339	7.4
125.09602	1.2
127.11188	2.6
131.03360	1.0
133.04919	0.9
143.03398	2.9
161.04486	3.7
171.10178	100.0
172.10512	4.1
179.05479	3.4
209.11684	1.2
217.07158	1.2
221.06602	1.5
225.11404	0.6
229.48204	0.7
235.08192	5.8
253.09143	1.2
259.08173	0.8
277.21704	67.3
278.22018	4.4
287.07742	2.3
305.08737	2.3
323.09912	1.1
361.11713	0.7
369.67386	0.7
379.12405	13.8
380.12714	0.8
397.13510	41.5
398.13837	2.1
415.14529	9.3
427.92181	0.6
529.13568	0.6
551.23541	2.8
569.24542	2.2
653.97955	0.7
657.34912	1.2
669.53406	0.6
675.36060	2.4
703.66199	0.8
889.47656	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	887.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01756	4.3
69.03333	1.2
70.10259	0.6
70.10673	0.4
71.01248	2.2
73.02834	0.2
81.03319	0.8
83.04890	0.8
85.02818	5.7
87.00750	5.1
93.03331	28.5
94.03673	0.9
99.00758	0.5
99.04368	0.6
105.96301	0.2
109.02839	0.8
111.00793	0.2
111.04400	4.6
113.02350	0.6
119.04912	9.8
120.05348	0.2
127.03887	1.7
129.01796	0.7
137.02306	1.0
140.22166	0.2
143.03334	0.3
145.02832	1.5
155.03362	1.1
163.03911	9.1
171.02914	0.5
173.04459	26.4
174.04800	0.5
185.85768	0.2
191.05527	100.0
192.05873	3.3
256.07404	0.2
337.09256	37.3
338.09610	2.7
434.65427	0.2
549.16266	1.9
646.25470	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	885.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	0.3
69.03323	1.4
71.01250	18.5
71.12620	0.3
72.01555	0.3
72.99184	1.7
73.02817	2.4
75.00743	0.4
80.02569	1.2
80.96386	1.5
81.03323	1.7
83.01260	2.2
83.04893	5.3
84.02036	1.1
85.02818	4.7
85.99963	0.3
87.00751	4.4
89.02316	14.0
95.01249	1.5
95.04902	0.7
97.02821	2.7
99.00729	1.0
101.02321	12.6
109.02832	0.5
109.06474	0.8
111.00783	0.4
111.04398	0.7
113.02323	7.6
115.03899	0.5
119.03395	3.0
124.01557	0.4
125.02333	6.0
125.05952	0.4
127.11233	0.3
131.03406	0.6
133.04933	0.4
135.08046	0.7
139.03902	0.5
141.01859	0.6
143.03403	2.6
149.04434	0.6
161.04466	3.4
163.11192	4.4
165.12762	3.3
179.05544	3.4
181.12268	0.6
191.10693	0.7
199.13393	0.3
202.25984	0.2
207.10211	0.9
209.11765	100.0
210.12109	5.1
217.07141	0.3
221.06651	1.2
225.11261	0.6
227.12839	11.6
228.13165	0.7
235.08173	5.4
245.06769	0.4
253.09227	1.0
259.08234	0.4
259.20505	0.3
263.07773	0.4
277.21716	53.4
278.22043	4.0
287.07681	1.7
305.08780	2.0
323.09860	0.7
379.12439	6.4
379.16965	0.5
397.13489	35.6
398.13815	2.3
415.14536	8.9
416.14932	0.3
571.23059	0.3
589.24329	0.4
607.26233	0.6
675.35999	0.4
885.47217	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	885.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	0.2
69.03323	0.8
70.44260	0.4
70.44659	0.4
71.01249	14.8
71.04880	0.2
72.99181	1.2
73.02819	2.3
75.00741	0.3
78.95776	0.2
80.02537	0.8
80.96384	0.2
81.03332	1.6
83.01257	1.7
83.04898	4.5
84.02033	0.5
85.02824	4.3
86.84834	0.2
87.00748	3.5
89.02312	11.8
91.03909	0.2
93.03342	0.2
93.04128	0.2
95.01279	1.2
95.04900	0.8
97.02823	2.6
97.06499	0.2
98.84817	0.2
99.00753	0.9
99.04405	0.3
100.68394	0.2
101.02316	10.7
102.02678	0.2
109.02872	0.3
109.06462	0.4
111.00734	0.2
111.04375	0.4
113.02328	6.6
119.03379	3.1
123.00761	0.2
125.02325	5.0
125.05922	0.5
127.03896	0.2
131.03375	0.6
133.04953	0.4
135.08066	0.5
137.02318	0.3
139.03896	0.4
141.01816	0.2
143.03394	2.6
147.11713	0.2
149.02211	0.2
149.04503	0.4
149.19072	0.2
161.04469	2.8
161.05782	0.2
163.11195	3.7
165.12767	2.3
179.05525	3.9
181.04942	0.2
181.12227	0.6
191.10738	0.9
199.05975	0.4
199.13362	0.2
207.10190	0.3
209.11758	100.0
210.12100	5.1
217.07109	0.8
221.06590	1.4
225.11198	0.4
227.12834	11.6
228.13239	0.5
235.08179	4.7
251.12961	0.4
253.09276	0.9
259.08020	0.5
259.20486	0.3
263.07663	0.4
277.21701	47.5
278.22055	3.7
287.07742	1.5
291.23282	0.3
293.21344	0.2
305.08685	2.1
319.22693	0.2
323.09720	1.0
341.10977	0.2
379.12463	5.9
380.12692	0.3
397.13474	34.5
398.13843	2.1
415.14511	7.8
416.14941	0.6
448.68332	0.2
484.62610	0.2
607.26257	1.1
675.35278	0.4
885.47095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	1.0
71.01250	15.4
71.05535	0.5
72.99165	1.4
73.02830	2.2
78.58889	0.2
80.02529	1.2
80.96418	0.4
81.03323	2.4
83.01252	2.1
83.04892	6.1
84.02042	0.7
85.02820	3.7
87.00742	3.9
89.02312	13.0
91.03895	0.3
95.01273	0.9
95.04892	0.6
97.02824	2.5
99.00749	0.9
101.02319	10.5
109.02782	0.4
109.06451	0.5
111.04378	0.4
113.02322	6.5
115.03843	0.3
119.03386	3.1
121.02878	0.3
125.02332	4.8
125.05952	0.6
131.03366	0.4
133.04970	0.4
135.08017	0.8
139.03899	0.5
141.01807	0.4
142.56081	0.2
143.03403	1.9
149.04460	0.4
161.04469	3.0
163.11183	4.6
165.12764	2.5
167.03331	0.2
169.04935	0.3
171.20416	0.2
179.05501	3.5
181.12250	0.9
183.57962	0.2
191.10699	1.0
199.06033	0.3
207.10139	0.6
209.11758	100.0
210.12086	6.0
217.07111	0.7
221.06552	2.2
225.11247	0.6
226.11578	0.4
227.12833	10.8
228.13194	0.6
235.08194	4.4
236.08647	0.3
251.12985	0.6
253.09225	0.9
259.08276	0.7
263.07693	0.5
277.21704	40.5
278.22009	3.5
287.07608	1.2
293.21219	0.3
305.08691	1.4
323.09750	0.9
358.49094	0.2
379.12427	5.3
380.12494	0.4
397.13461	28.8
398.13861	2.6
399.13690	0.2
415.14545	7.3
416.15045	0.6
589.24933	0.7
607.26184	0.9
766.42072	0.3
885.47656	0.8
902.00293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	2.9
71.01249	2.2
71.28487	0.5
72.99162	0.2
73.02801	0.5
78.95761	0.2
79.95588	0.3
80.02530	1.1
80.96393	0.3
81.03314	1.3
83.01218	0.3
83.04891	5.2
84.02032	0.6
85.02802	0.7
87.00726	0.6
89.02321	0.9
93.03322	0.8
94.97986	0.2
95.04910	0.8
96.95886	7.1
97.02795	0.3
97.06451	0.4
101.02335	0.9
109.06454	0.7
111.08041	0.2
113.02316	0.8
123.08061	0.4
125.02352	0.3
125.05981	0.6
125.09590	0.5
135.08069	0.9
147.11755	0.3
149.09740	0.2
161.04553	0.3
163.11192	4.3
164.11528	0.3
165.12770	2.4
166.13213	0.2
171.10179	5.4
173.04497	0.3
181.12303	0.8
185.11708	0.4
191.05537	0.5
191.10707	1.0
194.14862	0.2
197.11720	0.3
207.10251	0.5
209.11761	100.0
210.12106	4.6
221.11774	0.4
223.13329	0.3
225.11275	0.3
227.12827	14.9
228.13141	0.7
235.08171	1.1
237.14973	0.3
239.12854	0.2
247.13393	2.4
248.13843	0.2
249.14995	0.3
251.12929	0.2
253.09242	2.1
265.14478	0.6
289.17944	0.2
293.21347	0.2
385.14911	0.2
401.23364	0.4
407.18756	0.2
419.24292	0.6
437.25507	0.3
445.20850	1.0
446.21072	0.2
481.14304	0.2
510.56134	0.2
619.31042	0.4
637.32306	1.0
655.33575	0.4
706.52100	0.2
829.43921	0.2
847.44971	0.6
865.46368	0.3
883.45313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	8.2
65.63457	1.2
65.74355	1.5
69.03342	2.4
69.79386	6.3
71.01254	100.0
72.99183	5.8
73.02821	24.5
74.87661	1.2
75.00780	2.2
79.95602	1.8
80.96394	3.5
81.03335	2.2
82.01070	1.3
83.01245	9.9
83.04888	1.4
85.02824	42.2
85.03342	2.2
85.99955	7.1
87.00777	6.4
89.02311	22.6
93.03342	2.8
95.01247	8.6
96.95892	13.4
97.02839	3.5
99.00754	11.1
99.04396	4.2
101.02322	47.1
101.05939	2.1
109.02856	1.5
113.02322	35.0
119.03383	8.8
125.02371	3.8
129.01794	3.1
139.07568	4.3
143.03397	3.7
157.08624	1.4
159.02930	7.3
161.04466	57.7
163.11264	2.1
167.07259	1.4
171.10172	3.4
173.04474	2.9
174.63695	1.5
185.08113	7.9
191.05548	7.8
205.03484	2.5
209.11775	27.7
210.12143	3.1
211.13474	1.4
225.11270	2.9
227.12779	2.2
273.40637	1.4
275.11346	35.2
317.12354	6.3
323.43301	1.5
521.34802	23.2
531.22144	1.4
763.47559	1.6
779.45911	23.6
780.46558	3.5
797.46863	18.4
798.47339	2.1
839.48065	22.0
840.48120	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	883.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	4.2
69.03343	1.7
69.46961	9.6
70.68977	1.1
71.01250	100.0
72.01557	1.6
72.99175	4.8
73.02814	12.6
75.00739	2.2
81.03298	2.1
83.01255	11.2
83.04883	3.1
85.02827	26.8
85.99963	4.7
87.00767	8.0
89.02315	41.6
90.02626	1.1
90.98438	2.2
93.03325	4.8
95.01271	6.9
96.95879	8.4
97.02826	4.2
99.00750	12.4
101.02320	52.4
101.03008	2.5
109.02802	2.6
109.06462	3.9
111.00751	7.5
112.98663	1.9
113.02328	31.7
115.00273	1.7
119.03394	13.6
124.01556	1.6
125.02324	4.5
125.09614	2.1
127.03930	1.3
127.07531	4.3
127.11181	1.1
129.01785	3.0
131.03445	1.3
135.04382	2.6
135.08017	2.1
137.02335	1.4
141.01759	2.9
142.02538	1.8
143.03368	5.3
149.88142	1.1
151.00224	1.3
153.01938	1.5
159.02895	6.2
159.04057	0.9
161.04457	18.4
161.09625	1.2
163.11206	5.4
165.12776	1.5
171.10199	5.3
173.04449	4.0
179.05508	4.1
181.12230	3.0
189.09131	1.1
191.05554	20.6
191.10526	1.2
192.05821	1.3
197.11746	1.3
199.13307	2.9
201.11353	2.6
207.10190	14.5
209.11757	53.5
210.12108	7.7
215.07010	2.8
221.06592	1.4
225.11317	14.4
227.12866	6.9
235.08119	2.2
243.12372	3.1
273.17023	8.6
274.17398	5.5
275.17603	2.2
291.23260	1.7
308.31567	1.1
343.17538	2.6
379.12177	2.0
386.14221	1.1
397.13516	7.7
398.13712	2.9
399.14069	1.6
415.14584	3.4
416.15088	1.2
434.31015	1.2
435.27451	1.6
453.28552	23.2
454.28647	2.4
495.30051	1.8
623.25684	2.6
779.45850	46.5
780.46594	7.3
797.46991	33.8
798.47125	5.0
833.38086	2.8
839.48053	18.7
840.47534	2.2
851.38458	6.0
852.39233	1.5
883.42145	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	883.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	0.9
64.49927	0.5
69.03331	1.3
69.33121	5.4
71.00891	0.8
71.01252	11.8
71.04905	2.9
72.99171	1.5
73.02797	2.3
80.02525	1.4
81.03329	1.6
83.01255	1.9
83.04909	3.2
85.02814	5.6
87.00745	3.8
89.02312	9.4
93.03341	4.0
95.04873	1.6
96.95897	4.0
97.02833	4.8
97.06455	2.5
99.00758	18.7
99.04385	0.7
101.01691	0.8
101.02317	9.8
104.45441	0.5
109.02855	1.2
109.06448	1.7
111.00779	0.8
111.04414	1.4
113.02332	3.2
117.39929	0.6
119.03381	2.1
119.04890	1.9
121.02815	1.3
123.08044	1.8
125.02314	2.1
125.09619	7.5
127.03853	0.6
127.11176	0.8
134.03514	0.6
135.04443	0.7
135.08057	2.0
136.05185	0.7
137.02333	1.2
141.77739	0.5
142.02588	1.6
143.03401	1.2
150.03148	0.6
151.00246	0.7
153.12769	0.7
154.02524	0.7
155.14279	0.7
161.04468	1.5
163.03917	3.0
163.11212	13.7
164.11563	0.8
165.12695	1.5
171.10165	3.1
173.04462	2.6
174.01570	1.2
178.99699	0.9
179.03384	0.6
179.05511	1.7
179.10706	0.9
181.12265	17.6
187.07513	0.8
189.09178	0.8
191.05539	22.2
192.05824	1.0
197.11823	1.2
198.12172	0.7
199.13315	10.0
201.05516	0.6
201.11163	0.6
205.25870	0.6
207.10202	30.4
208.10519	2.0
209.11774	38.4
210.12073	2.4
215.07048	2.7
221.06693	3.1
225.11275	44.1
226.11607	1.6
227.12802	2.6
235.08116	0.8
243.12355	25.6
244.12679	1.1
246.02328	0.6
271.02417	1.8
299.01935	1.7
300.02667	2.4
301.03549	0.6
306.95178	0.6
317.16003	0.7
397.13348	4.3
415.14261	1.2
418.78860	0.7
623.25073	1.2
624.10919	0.8
641.26617	1.8
833.38507	1.7
851.39154	100.0
852.39380	21.8
883.26477	1.0
883.42035	12.3
884.42627	2.8
909.33844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.178
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00185	0.9
67.61762	0.4
71.01245	0.7
83.01273	0.5
89.36269	0.5
93.03342	0.9
96.95888	1.2
101.02332	0.4
102.21453	0.4
107.01270	1.2
108.02066	1.1
109.02830	0.8
121.02852	0.9
126.81033	0.5
132.04474	0.6
135.00754	0.5
135.04404	0.4
148.01564	1.1
151.00258	5.6
163.00227	1.4
169.01309	0.5
178.99783	2.9
191.05534	2.0
199.03909	0.6
211.03876	0.8
215.03575	0.6
226.02588	0.9
227.03467	7.4
228.03903	0.5
229.04875	0.7
243.02985	6.5
244.03485	0.6
254.02100	1.4
255.02959	24.3
256.03442	1.8
271.02466	39.5
272.02954	4.3
273.03928	0.5
284.00339	0.7
284.03259	8.2
285.03906	2.4
294.37140	0.4
299.02097	1.0
300.02737	100.0
301.03397	23.1
302.03922	1.3
402.14200	0.4
433.07718	95.0
434.07953	6.9
447.09317	10.6
448.09564	0.7
463.08932	0.5
471.55923	0.4
608.77368	0.4
735.41785	0.5
763.53766	0.5
767.51282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4028
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.52569	0.9
61.98695	2.9
69.03322	6.9
71.01254	24.3
71.04892	2.8
71.44171	1.0
71.57997	1.1
72.98396	0.8
72.99174	2.9
73.02810	3.4
75.00737	1.6
77.37872	0.9
80.02506	1.2
81.03337	2.7
83.01257	3.2
83.04898	6.5
84.02048	1.6
84.28251	0.9
85.02826	5.6
85.03276	0.9
87.00747	5.2
89.02311	17.4
89.02835	1.7
93.03357	2.1
95.01264	1.7
95.04929	1.3
96.95892	6.7
97.02812	2.9
99.00737	2.9
101.02319	16.3
108.02019	1.5
109.02842	1.4
109.06436	1.1
111.00772	1.3
111.04402	1.1
113.02328	5.8
119.03400	3.6
122.40305	1.0
123.07993	2.3
125.02324	3.6
125.06004	1.5
125.09633	3.7
128.06300	0.9
133.02805	1.1
135.04382	2.3
135.08025	1.3
140.56201	0.9
143.03436	1.1
143.06726	0.9
149.09656	1.0
151.11186	3.7
153.01784	2.0
153.12718	2.3
161.04410	2.1
161.09602	4.7
163.11203	7.3
165.12749	3.4
171.10130	1.5
173.04420	1.4
179.03319	1.8
179.05515	1.8
179.10721	8.0
188.95139	1.5
191.05568	6.6
191.10751	1.1
196.02736	0.9
197.11766	73.5
198.12085	4.2
209.11765	82.4
210.12100	3.9
221.06622	3.7
223.09741	1.5
225.11201	1.7
227.12952	5.6
229.14273	1.3
241.10783	8.1
397.13388	5.2
415.14255	1.2
734.52209	1.1
829.48938	1.1
831.36224	1.4
849.37592	100.0
850.37939	14.5
881.40210	47.8
882.40625	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	881.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.5
70.88882	1.8
70.89226	1.0
71.01254	25.9
72.01559	0.9
72.99187	2.4
73.02814	3.6
75.00731	0.8
77.75245	0.8
78.95757	1.7
80.02534	1.3
80.96402	1.6
81.03316	2.5
83.01243	3.3
83.04897	4.5
85.02827	5.5
87.00757	5.0
87.01192	0.8
89.02316	20.8
95.01241	2.4
95.04893	1.4
97.02846	4.7
99.00740	3.4
101.01704	1.1
101.02325	18.4
102.56156	0.8
109.02847	0.9
109.41631	0.8
111.00718	0.8
111.04412	1.2
113.02328	12.6
119.03381	5.6
121.02834	0.8
122.14702	0.7
125.02338	8.8
125.09594	3.3
127.11229	4.0
137.09625	1.0
143.03391	3.7
145.04892	1.0
155.10698	1.2
155.76801	0.8
161.04443	4.1
163.11169	5.2
165.09152	1.4
165.12772	2.3
171.10176	5.5
172.10446	1.2
176.95935	0.8
179.05505	4.7
181.12276	1.8
189.28029	1.0
191.10661	1.1
197.11871	1.1
199.09726	1.1
201.11250	78.4
202.11607	3.1
207.10124	2.6
208.10512	1.7
209.11758	100.0
210.12065	4.2
211.13348	2.0
221.06619	1.3
225.11290	4.0
226.11528	1.2
227.12857	14.4
235.08215	7.5
253.09282	3.9
255.23257	80.4
256.23663	8.5
263.07498	1.1
269.24786	1.0
277.21802	1.4
287.07663	3.7
291.19614	2.9
293.21204	6.3
305.08835	3.8
309.20596	5.1
323.09900	1.3
379.12460	13.3
380.12643	1.6
397.13492	68.5
398.13870	5.5
415.14514	15.7
581.24829	2.6
589.25006	1.4
599.25354	1.6
607.25812	1.3
635.36249	2.3
653.37622	7.9
654.37689	1.8
837.47778	1.1
880.49658	1.2
881.50208	12.2
911.89258	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	883.418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98688	1.2
69.03326	2.5
71.01255	31.9
71.04894	3.6
71.57958	2.0
72.99175	3.2
73.02819	5.1
75.00767	1.6
80.02551	2.0
81.03329	3.3
83.01272	3.6
83.04900	7.8
85.02823	11.0
87.00744	7.6
89.02311	13.6
93.03321	6.4
95.01266	1.6
95.04906	2.1
96.95885	9.8
97.02827	9.1
97.06466	3.9
99.00760	22.3
101.02328	16.0
106.08295	1.2
109.02827	2.2
109.06495	3.2
110.03628	1.6
111.00741	2.2
111.04410	1.7
113.02344	9.1
117.03389	1.3
119.03385	4.3
119.04906	5.4
121.02891	1.9
123.08051	1.6
125.02351	4.9
125.05948	1.3
125.09645	9.0
127.11176	1.3
131.03349	1.5
134.59766	1.3
135.04422	2.7
135.08047	3.5
137.02374	4.0
142.02585	2.0
143.03374	1.8
145.02885	1.7
150.03125	2.3
151.00232	2.1
151.03885	1.7
155.14262	1.3
161.02266	1.4
161.04410	3.0
163.03868	6.1
163.11201	19.9
164.11513	2.3
165.05460	1.6
165.12781	3.7
171.10141	3.8
173.04512	7.2
173.05829	1.3
174.01666	2.4
176.74995	1.5
178.34724	1.1
178.99812	2.7
179.03415	1.8
179.05576	3.0
179.10788	1.7
181.12250	21.8
189.09138	1.6
191.05542	50.1
191.10741	2.0
192.05888	2.7
197.11795	2.9
199.13318	22.1
207.05057	1.5
207.10210	48.2
207.12180	2.7
208.10495	1.6
209.11768	100.0
210.12099	6.2
215.07092	6.4
221.06575	5.9
225.11267	74.1
226.11658	4.9
227.12816	9.4
235.08212	2.7
243.12334	24.3
263.08139	1.3
271.02441	4.1
299.02054	3.5
300.02814	6.5
301.03619	1.9
317.16183	1.6
397.13541	6.2
415.14890	2.2
449.14474	2.5
535.19965	2.5
605.24377	2.9
623.25385	4.2
709.38098	1.4
743.24231	1.4
815.36523	7.5
816.36841	2.2
833.38324	10.6
834.38660	1.7
851.39130	88.8
852.39233	17.3
883.41980	71.1
884.41650	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	879.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03305	1.6
71.01247	20.5
71.04881	2.5
72.01527	0.6
72.99171	1.8
73.02825	4.0
74.51989	0.6
75.00716	0.8
77.40857	0.5
78.95726	0.7
81.03321	0.7
83.01237	2.0
83.04862	0.6
85.02816	4.5
87.00745	4.0
89.02309	13.0
93.03332	0.5
95.01259	1.2
95.04903	1.0
97.02831	7.0
97.06453	2.5
99.00748	13.7
101.02311	12.0
101.85582	0.7
103.01303	0.6
109.06446	1.2
110.03609	1.0
111.04443	1.2
113.02322	6.6
119.03371	3.2
123.08060	1.6
125.02332	3.4
125.09596	6.2
127.11144	1.0
133.57724	0.6
135.08057	1.3
142.02565	1.9
143.03365	0.9
161.04449	2.5
161.09607	0.6
163.11198	6.6
171.10150	9.3
179.05510	1.7
181.12251	11.6
197.11652	0.9
199.13339	11.7
201.11272	2.4
207.10197	28.2
208.10561	1.5
213.21202	0.9
221.06519	2.1
225.11264	41.3
226.11600	2.0
235.08240	2.8
243.12344	8.3
255.23250	62.0
256.23630	3.9
263.07599	0.8
291.19717	1.4
379.12393	2.5
397.13428	11.8
398.13632	1.1
415.14471	2.3
439.14767	0.7
605.24225	2.2
623.25391	2.6
641.25989	0.9
653.36877	1.1
861.48419	15.4
862.48199	1.8
879.49487	100.0
880.49701	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	879.496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	3.1
66.39395	1.4
69.03314	2.8
71.01248	33.7
72.99181	3.0
73.02808	4.3
78.95766	3.5
79.95599	2.2
80.96395	5.2
81.03308	2.5
83.01256	1.8
85.02816	6.6
87.00755	8.1
89.02317	23.6
95.01239	2.3
95.04871	1.8
97.02836	4.5
101.02312	22.4
109.06452	2.5
113.02335	11.8
116.92763	1.7
119.03375	7.2
125.02328	13.3
127.11134	2.0
143.03375	3.9
161.04460	7.2
163.11192	2.9
171.10188	100.0
172.10410	3.5
174.55826	1.5
179.05533	5.9
181.12326	1.6
189.09178	2.5
193.57050	1.4
201.11258	4.1
207.10316	7.2
209.11798	3.4
221.06621	1.6
222.06995	1.5
225.11287	37.2
226.11584	1.7
235.08170	6.6
243.12323	10.0
253.09151	3.0
255.23268	97.0
256.23581	3.7
269.24850	1.9
277.21600	2.0
287.07635	3.8
293.21307	3.2
305.08643	3.3
379.12375	22.6
397.13467	64.8
398.13715	4.1
415.14523	10.0
551.23254	6.1
569.24567	3.4
605.24274	2.9
623.25305	3.7
635.36530	2.9
653.37598	9.1
654.38733	1.9
861.48560	9.1
879.48065	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	879.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07087	1.5
69.03346	3.2
69.39655	16.9
71.01251	57.3
73.02824	5.2
78.95763	4.1
79.99827	1.6
80.96401	6.2
81.03335	3.8
83.01283	3.1
83.04939	1.8
85.02831	6.5
87.00763	5.5
89.02319	16.1
95.01284	1.8
96.95898	1.9
97.02853	5.9
97.06515	2.4
99.00782	3.0
101.02313	23.8
109.06472	6.2
113.02308	11.8
119.03407	7.0
123.08027	1.8
125.02323	3.7
125.09612	4.8
127.11112	2.0
137.09589	2.4
143.03468	3.2
145.56247	1.7
155.10692	2.9
161.04424	5.4
161.09630	2.4
163.11206	7.8
171.10165	37.1
172.10576	2.6
179.05530	3.8
181.12292	3.4
185.11815	5.9
191.14337	7.2
195.13853	8.6
195.74216	1.9
197.11859	5.5
199.09770	4.2
201.11186	13.0
207.10188	14.6
209.11745	15.1
211.13365	2.1
215.12819	2.2
223.13321	6.0
225.11250	25.9
226.11450	3.0
235.08173	6.3
237.11249	3.5
241.01198	3.0
243.12347	3.5
245.19069	11.9
253.09245	25.6
255.23257	63.6
256.23645	6.8
263.20190	4.6
275.20163	6.0
277.21698	2.6
289.18088	61.9
290.18463	5.2
291.19702	2.1
293.21216	100.0
294.21497	6.1
307.19116	57.0
308.19382	4.8
379.12552	7.1
397.13470	28.0
398.13934	3.3
415.14450	7.8
439.14557	2.1
450.84515	1.8
468.88443	2.0
543.28137	2.8
544.26501	2.0
653.37701	2.7
861.48694	6.5
862.48456	2.4
879.48529	12.8
880.49121	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	871.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98681	1.6
67.15605	1.4
69.03336	2.2
71.01250	20.9
71.14800	2.9
72.99177	1.9
73.02805	2.4
78.95740	1.7
80.96371	1.7
83.01223	1.7
85.02825	5.5
87.00753	3.1
89.02325	15.5
95.04916	1.9
97.02835	1.7
97.06469	3.8
101.02309	16.1
113.02313	6.0
117.94779	1.5
119.03393	2.9
125.02361	1.6
136.27724	1.4
151.11197	13.8
169.12253	79.1
170.12592	3.5
171.10196	1.9
176.27605	1.7
179.05510	1.9
197.11806	3.0
209.11867	2.1
213.11256	13.0
253.09317	1.8
277.21719	20.4
289.17984	1.5
293.21381	2.6
307.19223	2.4
309.20645	3.8
397.13486	2.8
529.29852	1.8
611.25537	2.4
871.46857	100.0
872.47186	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	877.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53033	1.2
69.03324	7.7
71.01250	26.2
72.99169	3.3
73.02803	3.7
83.01267	2.8
83.04881	1.8
85.02817	7.4
87.00740	4.3
89.02312	18.0
90.83013	1.1
95.01288	2.2
97.02828	3.5
98.20171	8.7
99.00763	1.6
101.02319	13.4
111.04367	2.1
113.02332	7.3
116.92788	2.0
119.03381	2.9
121.02856	2.1
123.08051	1.5
125.02314	4.5
125.09625	3.3
151.11200	2.7
159.10098	1.6
161.04453	1.7
161.09572	3.8
171.10139	3.9
179.10696	6.8
195.10161	2.7
197.11745	43.1
198.12096	1.7
205.08580	5.1
209.11752	13.5
210.12047	2.2
221.06621	1.7
223.09737	8.2
235.08171	3.1
241.10817	9.6
253.09367	1.5
255.23264	75.8
256.23560	6.7
269.24789	6.4
333.11853	1.6
379.12503	2.5
397.13538	18.6
398.13904	1.5
415.14328	3.3
540.65503	1.3
611.05829	1.4
655.04224	1.4
859.47083	4.8
860.47192	2.0
877.47968	100.0
878.48199	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	879.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	100.0
71.15343	3.9
71.15695	2.6
73.02814	7.5
75.00754	2.4
78.95764	3.3
79.95590	2.2
80.96377	9.7
85.02837	6.5
87.00746	5.1
89.02329	12.7
94.98001	2.3
96.96824	2.1
97.02843	7.1
99.00754	5.2
101.02321	14.4
109.06482	4.5
113.02331	6.7
119.03371	3.8
125.02346	8.1
125.09620	5.5
127.11274	2.3
143.03401	3.3
154.10834	1.8
161.04411	2.3
163.11194	5.8
171.10161	22.2
179.05472	5.4
181.12254	3.9
185.11827	2.4
199.13342	3.1
201.11243	11.7
207.10214	24.7
209.11832	3.1
222.80424	1.8
223.13469	2.9
225.11279	32.3
235.08214	3.6
241.01253	3.2
243.12314	5.0
255.23265	65.2
256.23645	4.7
277.21838	8.7
284.47476	1.8
289.18182	2.2
379.12500	5.3
397.13577	24.5
415.14529	5.3
439.14661	2.6
443.77826	2.2
861.48590	10.4
879.49292	55.3
880.49597	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	869.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	19.5
69.30632	3.7
71.01254	67.6
71.57803	4.3
71.93934	3.4
73.02818	17.1
78.95779	8.2
79.95647	3.9
80.96390	9.2
83.01260	9.1
85.02824	28.7
87.00754	8.3
89.02304	13.9
95.01244	8.2
96.95884	91.1
99.00739	7.0
101.02317	40.7
111.00732	6.3
113.02338	21.1
125.09614	3.7
161.04454	8.2
171.10088	7.6
191.05489	11.9
209.11800	18.5
211.13391	4.8
214.89342	3.5
225.11287	4.7
248.08295	3.8
255.02803	3.9
265.76450	3.4
341.23288	16.0
459.38535	3.9
765.47815	100.0
766.47919	15.7
783.49225	57.9
784.49274	7.1
825.50232	33.5
826.50098	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	871.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22986	0.4
69.03315	0.7
71.01249	7.1
71.01651	0.4
72.99173	0.7
73.02812	1.2
75.00762	0.5
80.02543	0.7
80.96378	0.4
81.03320	0.8
83.01255	1.2
83.04901	3.3
84.02029	0.4
84.60905	0.3
85.02818	1.2
87.00737	1.8
89.02317	7.9
93.03331	1.1
95.01266	0.7
96.95879	2.6
97.02825	0.9
99.00759	0.6
101.02321	6.7
102.89573	0.3
109.02795	0.4
111.04429	0.4
113.02319	3.6
116.92760	0.5
119.03374	3.1
120.32341	0.4
125.02322	2.5
125.05945	0.4
131.03426	0.5
135.04390	0.9
135.08058	0.7
143.03410	1.4
149.04442	0.5
151.03905	0.6
161.04474	1.9
163.11201	2.7
165.01868	0.3
165.12764	1.5
171.10120	0.6
173.04503	0.6
179.05496	4.0
181.12286	0.8
182.64513	0.3
191.05553	2.3
191.10629	0.9
207.04970	0.4
209.11760	100.0
210.12108	6.3
221.06580	1.2
225.11346	0.4
227.12830	31.8
228.13225	1.3
235.08221	2.5
251.12819	0.8
253.09132	0.7
287.07700	1.1
305.08777	1.4
323.09689	0.7
379.12375	4.4
397.13467	33.7
398.13855	2.7
415.14624	8.1
416.15329	0.4
510.83682	0.4
518.50781	0.3
589.24976	3.0
607.26270	4.8
608.25909	0.4
623.24005	1.2
731.18884	0.4
747.33496	0.3
799.37347	1.2
817.38263	0.4
835.39795	0.5
871.37323	13.3
872.37665	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	0.6
63.96106	1.1
69.03339	0.8
71.01252	8.1
71.57993	0.9
73.02815	1.6
75.00755	0.7
78.98466	3.8
79.31206	0.5
79.95605	100.0
80.96391	56.7
81.03303	0.9
85.02826	2.3
85.91879	0.5
87.00745	2.5
87.70021	0.5
89.02313	1.6
94.97957	10.3
96.95883	1.9
97.02827	1.4
101.02329	3.4
106.97964	2.2
107.20346	0.6
113.02318	0.8
122.97491	3.5
125.02348	2.6
127.03970	0.6
134.97467	4.4
136.99048	3.2
138.96773	0.6
148.99043	5.6
152.98528	3.8
161.04460	1.8
164.98534	7.2
169.12241	0.8
171.10182	2.6
179.00160	0.6
188.98557	0.7
197.01105	0.7
206.99669	3.8
209.11870	2.8
210.12134	1.4
223.99956	1.8
225.00703	19.6
229.14305	0.8
241.00157	3.3
244.80571	0.6
255.23332	5.5
256.23615	1.1
257.12262	0.6
283.05057	1.2
341.05432	5.6
355.07050	1.6
379.12616	0.7
393.14212	0.6
397.13379	1.4
397.54749	0.6
411.12872	1.0
425.14899	7.4
509.17157	1.1
537.27374	6.2
538.28076	0.9
553.27252	0.9
569.78760	0.6
579.28986	1.1
609.29572	2.3
637.32751	2.9
665.36023	1.2
679.36938	3.2
712.36969	0.8
719.40387	0.8
735.40363	1.4
763.39386	15.9
764.40015	3.5
765.40912	11.9
766.41168	2.0
781.40442	11.7
782.41016	1.4
866.45319	2.8
867.49591	3.5
888.89111	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	867.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06188	0.4
67.76305	0.3
69.03323	0.6
69.20544	0.3
71.01254	8.5
71.44925	0.8
72.99181	0.6
73.02836	1.6
80.02530	1.0
81.03339	1.3
83.01247	1.1
83.04897	5.2
84.02021	0.7
85.02827	1.8
87.00763	2.3
89.02321	7.4
93.03345	0.5
95.01285	0.5
95.04897	0.6
96.95904	0.4
97.02811	1.3
97.06470	0.4
99.00763	0.5
101.02322	5.5
109.06491	0.6
109.13980	0.3
113.02328	3.4
119.03436	1.9
121.42046	0.4
125.02338	2.2
125.05979	0.6
131.03476	0.4
134.23091	0.3
135.07982	0.9
136.01561	0.5
139.03807	0.4
143.03362	1.3
151.00294	0.4
151.03893	0.3
161.04495	1.9
163.11215	3.4
165.12735	2.5
167.03508	0.4
171.10210	0.7
175.27518	0.3
179.05583	2.2
181.12270	0.6
191.05547	0.8
191.10677	0.7
199.13370	0.4
207.10287	0.4
209.11772	100.0
210.12115	5.6
221.06575	0.8
225.11206	0.7
227.12846	15.5
228.13177	0.8
235.08163	2.4
251.12863	0.7
255.03011	0.6
259.15494	1.0
283.02499	0.9
284.03189	0.7
287.07773	0.7
305.08878	1.3
323.09583	0.8
356.15015	0.4
379.12296	3.4
397.13513	18.8
398.14026	1.5
415.14548	5.3
416.15039	0.6
583.93494	0.3
589.24902	0.6
592.15662	0.3
607.26666	2.0
799.37415	0.8
901.04639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99700	0.3
69.03317	1.3
71.01249	17.0
71.34196	0.3
72.99177	1.6
73.02819	3.2
75.00747	0.4
80.02544	1.4
81.03328	2.3
81.19567	0.2
83.01254	2.3
83.04894	4.9
84.02039	0.9
85.02820	3.9
85.46040	0.2
87.00751	3.9
89.02313	15.9
90.02644	0.2
90.26807	0.2
91.03912	0.4
93.03343	0.6
95.01233	1.2
95.04898	0.8
97.02834	3.1
99.00750	1.4
101.02316	12.0
102.02695	0.2
106.89489	0.2
109.02861	0.3
109.06442	0.2
111.04403	0.6
113.02325	8.0
114.02695	0.3
115.03882	0.3
115.78852	0.2
117.72920	0.2
119.03372	3.3
121.02834	0.3
125.02324	6.6
125.05980	0.7
127.03949	0.3
129.01781	0.3
131.01743	0.2
131.03362	0.7
133.04987	0.5
135.08038	0.5
139.03876	0.6
141.01770	0.6
143.03392	2.9
145.04964	0.3
147.11647	0.3
149.04474	0.3
157.15608	0.2
161.04463	2.9
163.11203	4.0
165.12741	2.8
167.03387	0.3
179.05533	4.0
181.12273	0.6
185.04480	0.3
191.10698	1.2
199.06033	0.3
209.11758	100.0
210.12097	5.8
217.07108	0.8
221.06592	1.4
222.60899	0.2
227.12833	11.9
228.13202	0.9
235.08174	5.3
245.06586	0.3
251.12851	0.4
253.09233	1.0
255.23257	55.3
256.23630	4.8
259.08081	0.3
263.07651	0.5
269.24966	0.4
277.09131	0.4
287.07712	1.6
297.24371	0.3
305.08838	1.8
323.09775	0.9
379.12436	7.7
380.12820	0.6
397.13464	37.3
398.13837	3.7
401.18314	0.3
415.14557	7.7
416.14990	0.4
589.25037	0.3
635.37158	0.3
653.37677	1.2
766.24426	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	863.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01768	0.3
68.99667	0.3
69.03332	1.1
71.01249	16.5
72.01582	0.2
72.99171	1.2
73.02816	3.1
75.00746	0.6
80.02551	1.0
81.03327	2.1
83.01256	2.2
83.04892	4.5
84.02040	0.9
85.02817	4.2
87.00748	4.2
87.04383	0.3
89.02312	15.4
90.96566	0.2
91.03875	0.3
93.03272	0.3
95.01241	1.3
95.04881	0.8
95.34590	0.2
95.85387	0.2
97.02815	2.5
99.00741	0.9
99.04322	0.2
101.02316	12.5
106.75244	0.2
109.02791	0.4
109.06474	0.4
111.00786	0.3
111.04401	0.6
113.02331	7.7
115.03887	0.3
119.03381	3.6
121.02832	0.3
124.01551	0.3
125.02327	6.0
125.05985	0.8
129.01791	0.3
131.03404	0.7
133.04947	0.5
135.08040	0.8
139.03928	0.6
141.01776	0.2
143.03406	2.5
145.04953	0.5
149.04378	0.4
155.14282	0.2
159.02957	0.3
161.04472	3.3
163.11182	3.6
165.12773	2.2
166.69231	0.2
167.03365	0.3
179.05525	3.4
181.12270	0.6
185.04440	0.3
191.10666	0.8
199.06050	0.5
207.10223	0.8
209.11757	100.0
210.12097	5.3
217.07092	0.6
221.06575	1.3
225.11285	0.3
227.12828	12.4
228.13162	0.9
235.08195	4.8
245.06635	0.5
251.12802	0.4
253.09258	0.8
255.23254	54.1
256.21115	0.3
256.23611	4.4
259.08228	0.5
263.07755	0.6
269.24875	0.7
279.23489	0.3
287.07642	1.7
297.24155	0.4
305.08722	2.1
323.09836	1.0
361.11383	0.3
379.12408	7.9
380.12863	0.5
397.13467	37.0
398.13849	3.3
415.14529	7.4
416.14783	0.7
474.83331	0.3
566.64337	0.3
589.24628	0.4
607.25903	0.7
635.36926	0.3
653.37494	1.1
863.48987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28796	0.2
68.47316	0.2
68.99695	0.3
69.03327	1.3
70.44212	0.6
71.01253	16.9
72.01585	0.4
72.99174	1.3
73.02820	2.9
74.03101	0.2
75.00746	0.3
80.02544	0.9
80.96408	0.2
81.03323	2.3
83.01250	1.8
83.04898	4.3
83.61973	0.2
84.02030	0.8
85.02340	0.3
85.02824	4.7
87.00748	4.5
89.02312	14.6
91.03893	0.3
93.03292	0.3
95.01273	1.2
95.04891	0.7
97.02816	2.7
99.00734	1.4
99.04366	0.3
101.02321	11.6
103.03876	0.3
109.02832	0.3
109.06459	0.2
111.00762	0.4
111.04395	0.8
113.02325	6.9
115.03896	0.5
119.03394	3.9
121.02814	0.2
125.02339	6.1
125.05994	0.6
127.03912	0.3
131.03392	0.8
133.04968	0.3
135.08044	0.7
137.02382	0.2
143.03435	2.4
147.11739	0.3
149.04399	0.3
161.04466	3.2
163.11205	4.4
165.12747	2.2
167.03331	0.4
177.48659	0.2
179.05511	3.4
181.12267	0.5
191.10672	0.7
199.06084	0.3
209.11763	100.0
210.12094	6.2
217.07159	0.8
221.06598	1.4
227.12836	12.4
228.13181	1.0
229.14304	0.2
235.08174	5.6
245.06711	0.5
251.12944	0.3
253.09331	1.0
255.23262	54.7
256.23578	3.9
259.08200	0.5
263.07648	0.5
269.24792	0.6
287.07758	2.0
305.08771	1.7
323.09760	1.2
361.21906	0.2
379.12427	8.2
380.12772	0.6
397.13489	40.5
398.13788	3.2
415.14609	8.4
415.19772	0.2
416.15051	0.5
589.24915	0.6
607.25958	0.6
635.36499	0.4
653.37128	1.3
654.38110	0.3
664.94458	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	857.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
67.42879	0.1
68.34505	0.1
68.91918	0.1
69.03332	0.1
71.01257	0.3
71.07751	0.2
72.99178	0.5
73.02811	0.1
85.02841	0.2
87.00768	0.1
89.02301	0.1
93.03335	47.5
94.03667	1.1
96.94501	0.1
96.95903	0.4
97.75166	0.1
99.00739	0.2
101.02333	0.2
102.89906	0.1
108.02046	0.2
109.02832	0.3
113.02318	0.3
119.04902	0.1
121.02868	0.4
126.02981	0.1
133.01422	0.4
134.03659	0.5
135.04395	0.2
136.01563	3.0
137.02341	100.0
138.02679	2.7
138.03767	0.1
147.04472	0.2
149.02338	1.8
150.04100	0.6
151.03905	3.2
163.03882	0.2
164.04700	1.6
173.04448	0.2
175.00352	0.1
175.03896	0.1
175.17860	0.1
176.04724	0.1
179.03416	0.2
179.07036	0.1
186.24628	0.1
190.02541	0.1
191.05542	0.2
191.07133	0.2
193.05008	0.6
205.04979	0.4
208.03775	0.3
209.11829	0.3
223.06067	2.9
312.10056	0.1
327.12421	0.4
339.12311	0.6
342.11069	0.2
343.11816	0.2
357.13446	1.5
358.13889	0.1
411.87018	0.1
427.20914	0.1
430.46976	0.1
633.22131	0.3
657.22260	0.3
661.21893	0.2
675.22937	1.2
693.23773	0.2
813.26086	5.4
814.26581	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	861.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01577	0.8
69.03316	2.9
71.01251	22.9
71.04890	2.9
72.99166	2.1
73.02812	2.9
75.00732	1.2
81.03332	2.4
82.64823	0.6
83.01259	2.7
83.04891	1.0
85.02805	6.3
87.00754	8.5
89.02316	11.8
95.01248	1.5
95.04899	0.9
97.02825	15.0
97.06465	3.6
98.20542	1.8
99.00755	27.3
101.02322	12.8
109.02806	1.3
109.06490	5.3
110.03593	1.8
111.04376	1.0
113.02322	7.4
119.03387	3.0
121.54988	0.6
123.04440	0.8
123.08040	2.5
124.01555	0.7
125.02341	8.5
125.09622	8.7
135.08038	1.9
136.05177	2.5
142.02600	3.7
143.03395	2.1
145.10072	0.7
161.04457	2.5
161.09633	1.2
163.11188	15.2
164.11578	0.6
179.05551	2.1
179.10695	0.8
181.12254	25.3
197.11781	0.9
199.13274	3.5
207.10194	79.6
208.10475	3.6
208.82028	0.6
221.06636	1.5
225.11266	100.0
226.11650	3.7
235.08208	4.5
243.12343	34.1
244.12672	1.4
255.23262	83.2
256.23630	5.5
263.07693	1.9
267.12363	1.0
276.40952	0.7
309.89963	0.6
317.16068	1.0
323.09509	0.9
379.12439	4.5
383.98419	0.7
397.13507	16.6
398.13721	1.3
415.14557	2.7
555.39276	1.1
605.24530	18.8
606.24390	2.0
623.25397	9.6
624.25610	0.8
653.37781	1.1
727.88605	0.8
782.68042	0.8
861.48474	91.8
862.48749	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	861.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03288	1.4
70.20236	1.8
71.00888	1.8
71.01255	26.3
72.99178	2.1
73.02818	4.9
75.00761	1.2
81.03313	1.0
83.01247	2.7
83.04911	1.7
85.02817	6.3
87.00735	5.3
89.02316	22.3
95.01271	2.3
95.04907	6.0
96.95895	1.1
97.02829	7.3
99.00726	1.3
101.02325	18.7
105.01820	1.8
107.04754	1.0
109.02845	1.2
109.06474	5.2
110.03610	1.8
111.04400	1.9
113.02335	8.1
116.92728	1.3
119.03390	5.2
125.02341	6.6
143.03406	3.4
149.09570	1.1
161.04469	3.5
161.09613	1.3
163.11211	8.4
173.57780	0.9
179.05536	5.0
179.10690	2.3
181.12332	2.3
188.14067	1.0
188.84769	1.1
189.09128	4.3
197.11784	1.3
207.10205	23.1
209.11742	10.4
221.06502	1.4
225.11276	100.0
226.11542	5.1
227.12750	1.4
235.08203	5.3
253.09320	2.5
253.21707	1.8
255.23264	57.7
256.23651	3.0
277.21671	1.5
287.07748	1.8
305.08795	1.6
323.09775	1.2
327.21863	1.3
379.12457	2.1
397.13483	54.9
398.13892	3.7
415.14563	13.1
605.24408	8.8
623.25519	6.2
653.36963	1.6
709.32263	1.1
861.48529	23.2
862.49030	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	863.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01571	0.4
65.00207	0.3
70.54530	0.5
70.54884	0.4
71.01254	1.4
73.02811	0.6
75.00740	0.9
81.03326	0.5
83.01263	0.3
83.04896	0.8
85.02820	0.5
87.00749	0.5
89.02309	0.7
91.01770	9.0
93.03336	23.2
94.03650	0.6
95.01232	0.5
96.95891	0.9
97.02821	0.2
101.02318	1.3
102.77673	0.2
107.04917	1.7
108.02035	0.8
113.02319	0.9
114.84124	0.2
119.01281	3.8
121.02847	11.6
123.04431	0.2
133.02832	0.7
135.04369	0.5
136.01535	1.0
137.02342	40.3
138.02676	1.3
143.03395	0.7
149.02350	0.9
151.03912	100.0
152.04268	3.7
161.02312	0.5
161.04451	0.3
163.11232	0.6
165.12788	0.3
173.04489	0.4
179.03418	1.4
191.03574	0.4
191.05550	1.4
209.11771	23.1
210.12137	1.3
227.12862	4.0
253.09274	3.8
263.05612	1.9
281.06641	17.4
282.07013	1.0
300.02798	0.4
323.07706	9.8
324.07855	0.5
672.53479	0.2
863.26404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	2.8
69.03320	3.4
70.85896	1.2
70.86231	1.0
71.01249	10.4
72.99172	0.6
73.02795	1.9
79.95596	1.0
81.03334	1.0
82.95261	0.6
83.01236	1.0
83.04884	1.7
84.02012	0.7
85.02815	10.1
86.70035	0.5
87.00731	2.5
89.01882	0.6
89.02318	5.6
95.01244	0.8
95.04868	1.0
96.95889	26.0
97.02822	4.7
97.06463	3.5
98.95447	1.9
98.96271	0.6
99.00781	1.3
101.02324	9.0
109.06511	0.8
111.08035	8.6
113.02311	2.9
116.92729	0.8
119.03357	1.5
119.08500	1.0
125.05933	0.5
125.09593	1.9
127.07513	1.1
127.11158	1.5
137.09625	3.6
145.04977	1.1
153.12675	0.7
155.10622	1.5
161.04460	4.3
163.11148	1.9
165.12743	1.5
167.14352	1.1
169.12282	3.3
171.10179	31.8
172.10602	0.6
179.05479	1.2
179.14334	0.8
181.12215	1.9
183.13876	4.0
185.11720	1.7
193.12257	1.4
197.11755	36.0
198.12167	1.3
199.09973	0.7
199.13303	2.0
201.11258	1.6
203.10687	0.7
207.10202	1.5
209.11777	7.1
209.15312	0.5
210.12103	0.8
211.13336	21.7
212.13618	1.3
221.11710	2.5
223.13393	1.1
225.11258	1.0
227.12836	3.1
229.14394	10.0
235.08194	12.4
236.08330	0.7
239.12747	1.4
247.20503	3.4
253.09256	37.7
254.09563	1.2
257.13931	0.6
263.20020	1.4
265.18222	0.6
273.18567	2.0
291.19647	33.0
292.20047	2.1
293.21103	1.9
309.20697	100.0
310.21088	7.1
327.21744	95.8
328.22049	7.9
343.21323	1.0
351.21872	0.6
485.93311	0.6
486.00253	0.6
527.28674	1.0
545.29523	5.9
546.30273	1.0
563.30865	5.6
564.31946	0.7
619.42377	4.2
620.42725	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	853.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	1.6
63.95312	0.8
68.75280	0.7
69.03323	2.1
71.01254	20.1
71.45800	0.7
72.99176	2.6
73.02825	2.4
75.00735	2.0
79.95609	1.6
80.02567	0.9
80.96406	1.5
81.03337	2.4
83.01261	2.3
83.04900	4.8
85.02834	6.5
87.00733	4.4
89.02311	14.5
93.03358	1.1
95.01275	1.1
95.04905	1.0
96.95894	13.9
97.02818	2.2
97.06491	4.0
98.19766	2.0
98.95466	1.1
99.00774	1.4
101.02321	12.7
111.04378	0.9
113.02323	5.7
114.93317	2.5
116.92756	1.5
119.03398	2.8
125.02349	2.9
125.09618	0.9
133.02800	0.9
135.04398	1.1
135.08011	1.1
143.03435	1.6
147.02885	1.7
147.06534	4.3
151.11205	13.0
154.16486	0.8
161.04468	2.1
163.11273	4.2
165.12717	1.4
169.12251	67.3
170.12631	1.9
171.10184	2.9
179.05511	2.1
191.05586	3.5
194.97227	1.0
195.10187	0.8
197.11690	0.9
201.11284	1.3
207.10060	1.0
209.11760	56.4
210.12085	4.7
213.11258	11.5
221.06625	3.3
225.11288	1.0
227.12825	4.1
235.08118	1.4
265.07538	2.5
283.83173	1.0
397.13443	3.3
505.43332	0.9
534.56946	0.9
555.67059	0.9
593.23706	1.2
611.25165	1.5
637.17114	0.9
803.36908	1.3
821.38098	100.0
822.38422	16.5
853.40265	13.1
854.41156	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	853.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98726	0.3
69.03345	0.6
69.12077	0.2
69.35808	0.7
69.36221	1.9
71.01251	9.8
72.99223	1.0
73.02812	2.2
75.00790	0.4
75.69042	0.3
80.02590	0.9
81.03316	1.7
83.01297	1.1
83.04897	4.8
84.02069	0.8
85.02824	2.3
87.00746	2.3
87.04390	0.3
89.02313	8.2
93.03358	0.6
95.01249	0.5
95.04911	0.7
96.95882	2.9
97.02882	1.2
98.19840	0.6
99.00774	0.6
101.02319	8.5
103.00249	0.3
107.51367	0.3
109.02842	0.4
111.00719	0.3
111.04474	0.3
113.02322	4.2
116.92757	0.4
119.03378	2.3
119.04912	0.4
121.02879	0.5
125.02323	2.8
125.06016	0.8
125.09608	1.3
127.11139	2.0
131.03386	0.6
133.02866	0.4
133.26749	0.3
135.04414	1.3
135.08072	0.7
137.02374	0.4
139.03906	0.3
139.11186	0.3
140.78867	0.3
143.03433	1.5
143.04434	0.3
155.10744	0.5
161.04466	2.4
163.03946	0.4
163.11200	4.0
165.09125	0.6
165.12732	2.6
167.10641	0.3
171.10179	1.4
172.75842	0.3
173.04494	0.6
177.01842	0.3
179.03424	0.5
179.05516	3.0
181.12253	0.8
183.10144	0.8
191.05530	2.0
191.10721	1.0
199.09708	0.9
201.11258	38.0
202.11617	1.7
209.11766	100.0
210.12091	5.5
221.06613	0.8
225.11269	1.0
227.12842	14.7
228.13188	0.5
235.08168	2.6
251.12909	0.5
253.09343	0.3
259.08359	0.3
287.07684	1.0
305.08710	1.0
323.09689	0.8
375.21664	0.4
379.12320	3.0
380.12863	0.3
393.22940	0.5
397.13483	23.9
398.13959	1.8
415.14520	7.4
416.14697	0.7
550.78638	0.4
581.24011	0.7
589.24414	0.9
599.25690	1.3
607.26068	2.5
608.25800	0.3
791.36487	0.3
799.37366	0.4
817.37408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	6.8
70.50975	3.3
70.90547	11.0
71.01260	32.5
79.95615	3.8
82.95289	49.5
83.02364	7.0
83.04900	4.4
85.02803	5.0
89.02318	4.6
96.95870	29.2
101.02307	9.0
113.05997	4.6
116.92744	6.4
118.96503	5.6
125.09618	5.6
133.04942	4.6
161.04391	4.9
163.11153	3.6
171.10194	19.9
174.73351	3.8
181.64928	3.5
184.08150	5.0
185.11610	4.3
197.11717	4.6
199.09665	16.8
207.10184	14.5
209.11778	100.0
210.12111	7.6
225.11206	10.5
227.12831	31.5
235.08151	11.4
253.09288	20.5
279.15619	4.3
279.65982	3.6
289.17966	5.5
291.03867	4.1
307.19073	10.0
308.19388	6.1
309.20547	11.0
311.22009	6.2
325.19867	4.3
327.21777	18.2
328.22147	9.4
329.22919	6.2
407.17212	5.6
453.09207	4.6
465.22906	4.5
495.10510	8.3
535.09094	6.7
609.30060	4.9
627.30084	6.6
645.76044	4.0
653.30670	4.5
671.32758	11.4
713.30750	14.5
774.66705	4.5
855.40656	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	851.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.3
61.98699	3.4
65.96970	1.1
69.87092	5.2
71.01246	12.8
73.02802	2.7
78.32593	1.2
78.98470	7.6
79.95164	2.2
79.95607	30.3
80.96389	100.0
85.02808	2.8
87.00729	3.0
94.97958	18.6
96.95888	9.5
97.02821	1.6
99.00755	1.8
99.25520	1.2
101.02288	4.2
106.97932	4.0
122.97442	5.3
125.02311	3.9
127.03875	1.4
134.97495	7.4
136.98969	2.1
141.01668	2.4
148.99049	7.8
150.74986	1.3
152.98541	8.8
164.98528	13.5
171.10257	1.4
191.05579	1.9
197.11830	2.1
201.91531	1.5
206.99623	4.1
207.10315	1.3
209.11780	3.8
225.00691	25.3
227.12909	1.7
253.09303	1.8
255.23183	2.3
310.71280	1.2
442.86655	1.4
537.27032	2.6
709.38440	2.3
722.16333	1.7
762.41260	3.0
833.48260	20.4
834.49310	7.4
837.36261	1.4
851.49402	78.2
852.49359	17.9
883.40607	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	847.488
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80354	1.1
63.96101	2.0
71.01258	8.8
73.02794	2.8
78.79225	1.1
78.98450	5.5
79.95602	15.5
80.96392	85.6
85.02806	4.3
87.00736	3.9
94.97954	17.6
96.95908	1.2
97.02848	2.8
101.02327	2.5
106.97964	3.5
122.97493	3.6
125.02330	2.5
134.97450	5.5
136.99048	2.0
148.99059	7.7
152.98569	6.4
164.98573	11.4
206.99637	1.5
225.00653	19.5
230.44029	1.4
255.23235	3.1
369.97388	1.2
377.33850	1.4
409.52994	1.5
847.48730	100.0
848.48975	21.8
863.51202	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	849.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.3
65.00201	2.1
69.86691	0.9
71.01243	3.7
71.35372	1.0
71.35698	1.2
73.02811	1.6
78.95768	1.0
83.01236	1.5
85.02816	1.6
87.00746	2.1
88.97340	0.8
89.02321	1.1
93.03328	2.6
96.95888	17.1
97.06416	1.0
101.02325	1.7
107.01277	4.4
108.02067	1.5
109.02776	2.2
111.04427	1.2
113.02314	1.2
118.97850	0.9
121.02867	1.6
124.01521	1.0
126.00633	0.8
127.03975	1.0
133.02821	1.6
135.04407	6.4
136.01509	1.6
137.09525	1.1
145.02852	1.4
149.02397	1.4
151.00275	16.2
151.03865	2.8
153.01816	1.2
155.10550	1.0
161.02319	2.9
162.03099	1.7
163.00281	3.6
163.03973	1.3
164.01056	2.0
169.01288	2.6
173.04471	2.0
175.02310	1.1
177.00232	1.1
177.01920	1.1
177.05450	1.9
178.00888	6.9
178.99794	7.6
179.03372	3.3
190.02692	2.5
191.05489	4.2
193.03198	11.8
199.03816	1.3
199.09595	1.1
207.04895	1.8
209.11818	1.2
211.04150	2.4
226.02698	4.7
227.03577	4.8
243.02963	10.9
254.02171	6.0
255.02861	6.6
271.02478	74.9
272.02917	6.3
283.02457	3.6
285.03970	1.2
287.09378	2.5
289.11090	2.5
299.01929	15.4
299.05780	2.8
300.02744	99.7
301.03482	72.3
302.03802	4.0
343.04324	1.2
373.09604	1.3
432.61060	1.0
461.11212	6.8
463.08887	1.3
505.09857	100.0
506.10193	11.6
627.15692	1.1
645.18213	14.2
646.18420	2.7
687.18695	1.8
741.22833	1.1
813.25635	2.8
849.24396	26.7
850.24463	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	849.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.2
61.98664	0.6
63.02260	1.5
65.00200	3.5
69.03331	0.6
69.34197	3.9
69.34602	0.9
71.01256	3.4
72.99165	0.9
83.01260	2.5
84.50826	0.4
85.02820	1.5
87.00737	1.3
89.02301	1.3
93.03347	2.4
96.95903	6.8
97.02844	1.1
98.20575	0.9
99.00746	0.7
101.02309	2.1
105.12658	0.5
107.00599	0.8
107.01272	7.5
108.02046	1.5
109.02850	1.4
109.06438	0.7
111.04447	0.8
113.02311	0.7
119.04858	0.5
121.02849	6.2
125.02312	1.4
127.00271	0.5
133.02859	0.7
135.04405	1.6
137.02327	0.6
147.04477	0.7
148.01550	1.4
151.00276	28.4
152.00645	0.8
153.09099	0.5
155.10661	1.1
163.00266	2.3
163.03828	0.6
164.01088	0.9
165.01805	0.5
166.17557	0.5
169.01341	2.3
171.10156	2.0
173.04459	1.3
175.02415	0.5
178.99779	14.2
179.03400	1.3
179.10437	0.5
180.00055	0.8
184.07318	0.6
187.03972	0.7
191.05515	3.0
197.11717	0.5
201.11206	0.9
203.03395	0.6
207.10242	1.6
209.11792	4.2
211.03975	0.8
216.04153	0.5
223.09554	0.8
225.11403	2.7
226.02643	1.4
227.03464	1.7
227.12646	0.6
229.04990	1.0
243.02963	7.7
244.03694	0.8
245.04408	0.9
254.02148	2.1
255.02957	22.8
256.03400	1.4
257.04520	0.6
268.49429	0.6
271.02475	45.8
272.02948	3.7
273.03989	2.1
283.11816	0.6
299.01956	1.9
300.02747	98.6
301.03497	100.0
302.03812	5.4
306.07617	0.6
339.49966	0.6
343.13651	0.7
397.13379	1.6
401.02811	0.5
415.14410	0.9
463.08832	1.9
505.09891	92.6
506.10287	8.1
557.30060	1.4
645.18292	11.3
646.18402	1.2
658.08722	0.6
687.18890	0.7
849.22894	3.2
849.37927	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	849.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	14.8
69.03334	2.0
69.14522	1.0
69.51698	5.3
69.52103	1.9
71.00890	1.3
71.01252	16.1
73.02803	3.4
83.01235	1.5
85.02789	2.2
87.00745	4.0
89.02307	11.2
97.02826	2.7
97.06464	4.0
98.19830	1.9
101.02326	9.6
101.45023	1.0
107.22351	1.0
109.07079	0.9
113.02312	5.0
116.76418	0.9
119.03353	2.8
125.02313	3.5
125.09621	1.0
139.11192	1.0
143.43291	1.1
144.99182	1.2
149.09663	1.1
151.11188	10.8
169.12247	42.8
170.12566	1.7
175.84460	1.1
213.11325	5.6
221.06543	1.9
235.08197	1.8
255.23279	47.8
256.23547	3.4
397.13547	4.0
590.86987	1.2
593.24280	1.7
849.48505	100.0
850.48779	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	37.9
61.98704	27.0
65.01588	6.1
70.34626	19.4
71.01246	28.5
72.99179	5.2
73.02796	6.2
83.04919	6.0
85.02826	21.8
87.00755	7.0
89.02318	10.4
93.03345	5.9
96.95891	67.8
98.19850	7.5
101.02330	20.4
113.02325	16.2
116.92712	11.1
145.13707	5.6
161.04482	8.4
163.87036	6.0
171.10179	15.5
191.05527	20.0
201.11214	7.6
207.10228	6.4
209.11797	100.0
210.11977	5.5
211.13432	4.8
227.12865	20.6
235.08206	6.3
253.09328	13.3
307.19312	35.2
325.20193	22.0
327.21732	6.5
424.50809	5.7
543.28247	12.6
570.38232	6.3
609.28467	5.5
701.92963	7.1
735.39392	11.3
753.40912	15.0
771.41681	7.9
772.42090	6.3
797.29657	6.3
797.46802	15.2
839.41016	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	839.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.1
61.75050	0.5
61.98683	1.0
65.64473	0.5
69.03314	1.3
71.01247	7.5
71.04976	1.6
72.99149	0.7
73.02815	1.0
76.65849	0.5
80.96385	0.9
83.01258	0.6
83.04909	1.1
85.02818	4.6
87.00732	1.1
88.98663	0.5
89.02300	4.5
95.04901	1.1
96.95876	1.9
97.02829	1.0
97.06464	3.0
99.00755	0.7
101.02324	6.3
109.06463	1.4
109.32735	0.6
113.02322	2.9
119.03368	1.6
125.09598	1.5
127.11161	1.0
137.09627	0.8
143.03369	0.9
155.10690	1.4
155.14314	0.7
161.04498	3.2
163.11166	0.6
165.12743	0.8
167.14363	0.7
171.10185	12.7
177.12836	1.1
179.05515	1.4
179.14371	1.2
181.12294	1.0
183.13858	3.9
185.11742	1.1
193.12282	1.5
195.13815	7.5
196.14340	0.8
199.09558	0.7
201.11302	0.9
205.12392	0.8
207.10210	1.6
209.11740	2.4
211.13332	15.1
221.11781	2.5
223.13336	5.1
225.11201	2.4
227.12933	0.7
229.14406	10.0
235.08167	6.0
239.12903	1.6
253.09262	34.1
254.09744	1.4
256.13071	1.3
275.20178	5.6
276.20578	0.6
291.19562	4.6
293.21219	100.0
294.21558	7.1
309.20691	8.5
310.21207	0.7
327.21753	83.4
328.22015	6.3
397.01694	0.6
529.30243	1.4
545.29492	1.0
563.30725	5.4
577.26947	1.5
603.42645	5.0
604.42932	0.9
642.74908	0.6
673.26270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.3
61.98703	5.4
64.73409	0.8
68.72676	0.6
69.03313	1.2
70.71243	1.7
71.01252	16.4
72.99181	1.4
73.02811	2.1
74.56997	0.6
81.03326	0.7
83.01253	1.5
85.02824	3.5
87.00739	4.5
88.98703	1.3
89.02314	12.2
95.01263	1.0
96.95872	1.5
97.02833	2.8
99.00713	1.1
101.02326	11.8
105.12747	0.7
109.06507	0.7
109.40538	0.6
111.00788	0.6
113.02316	5.6
119.03391	3.7
125.02340	4.8
125.09587	1.4
127.11160	1.9
143.03404	2.3
153.09146	0.9
161.04459	2.8
171.10176	78.4
172.10489	3.7
179.05519	2.9
179.14325	0.8
195.13834	6.7
209.11760	1.4
211.13319	0.8
221.06673	1.5
223.13289	3.8
231.21072	0.8
235.08203	3.5
253.09329	2.0
256.13150	1.4
275.20071	5.6
287.07861	1.7
293.21210	100.0
294.21603	7.5
305.08698	0.8
323.09799	1.0
379.12546	3.5
397.13480	39.9
398.13751	2.7
405.86874	0.7
415.14526	13.5
513.64471	0.8
551.23004	1.1
569.24542	2.8
664.94928	0.7
673.34564	0.8
756.77979	0.7
855.96136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	14.2
61.98688	6.3
69.03317	1.5
70.33801	4.6
71.01263	12.7
72.99164	3.0
73.02799	2.1
75.00754	2.7
78.95767	3.7
83.04890	1.6
85.02803	3.1
87.00739	3.6
88.98630	2.4
89.02303	10.0
96.95860	1.7
97.06463	16.8
98.59524	1.5
101.02324	8.2
113.02336	2.8
116.25095	1.6
123.08019	6.8
125.02313	3.1
125.09606	100.0
126.09919	2.9
152.99463	2.0
169.08513	2.7
171.10115	3.8
187.09682	66.0
209.11649	4.3
221.06519	3.6
255.23305	1.7
277.21820	12.5
278.22220	2.2
279.23367	2.4
295.22659	3.4
329.23361	3.7
330.23370	2.6
567.22803	3.0
585.23993	8.3
845.45288	92.0
846.45642	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	837.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	2.9
59.01250	59.8
60.01584	0.9
61.98697	3.5
68.99686	0.6
69.03323	3.1
71.01253	61.2
72.01568	0.7
72.99180	4.0
73.02818	11.8
75.00758	0.9
80.96391	0.9
81.03342	2.4
82.10228	0.4
83.01258	10.1
83.95676	0.4
84.01588	0.4
85.02822	14.3
85.99986	1.5
87.00216	1.0
87.00752	19.2
89.02316	46.6
91.03943	0.5
95.00699	0.7
95.01264	5.7
95.81856	0.5
96.95884	1.2
97.02821	6.5
99.00757	3.3
99.04390	1.0
101.02322	48.6
101.70531	0.4
102.02681	0.6
103.03922	0.6
109.02861	0.7
111.00741	0.9
111.04410	0.9
113.02331	29.5
114.02663	0.8
115.03915	0.8
119.03379	9.1
121.02869	0.5
124.01521	0.4
125.02338	16.7
126.02718	0.7
127.03900	0.5
129.01836	0.8
131.03394	7.9
133.04956	1.4
139.03903	0.7
141.01859	1.1
143.03387	8.6
145.04945	0.8
149.04453	1.5
161.04463	16.9
167.03430	1.4
168.05733	0.4
169.05151	0.5
175.88202	0.4
176.17915	0.4
179.05533	13.7
181.04915	0.6
203.05519	1.9
209.11819	1.2
217.07156	0.7
221.06613	7.3
233.06723	0.7
235.08188	7.3
245.06714	1.2
253.09244	10.1
263.07748	2.7
277.21704	32.2
278.22012	1.8
287.07697	1.4
305.08621	2.4
309.20721	0.5
323.09796	4.6
341.10608	0.6
365.10806	0.8
379.12463	1.5
383.11945	1.8
397.13495	56.0
398.13834	2.9
415.14584	24.6
416.15036	1.5
439.14371	2.0
467.13831	1.0
485.15054	2.5
541.17761	1.1
559.18756	100.0
560.19073	7.5
577.19824	35.4
578.20239	2.7
675.35345	1.2
837.40839	3.7
838.41479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01598	1.5
69.03339	2.2
69.35118	6.8
69.35544	5.5
70.06552	1.1
71.01250	56.9
72.13416	1.2
72.99181	4.3
73.02821	48.1
74.02312	1.3
75.00755	1.7
77.11867	1.3
80.96349	1.5
83.01259	16.2
85.02824	14.1
87.00758	3.2
89.02308	10.4
93.03318	2.1
95.01266	3.1
96.95883	24.8
97.02814	2.3
98.95467	4.5
99.00739	2.0
101.02322	48.8
102.02663	1.3
109.02855	1.2
111.00777	1.8
113.02327	23.5
114.93276	4.3
116.92716	9.3
119.03391	6.4
121.10110	1.9
125.02321	5.4
130.61700	1.2
131.03406	5.5
133.01280	2.2
134.06029	1.3
135.04442	9.0
135.64021	1.2
141.22472	1.3
143.03398	6.4
147.31389	1.2
149.04482	7.7
150.03125	1.2
151.00223	1.8
151.03783	1.8
151.11221	2.8
155.03468	2.0
161.02336	1.6
161.04486	15.1
163.03778	1.7
169.12239	10.6
171.10208	4.1
173.04561	3.0
173.06030	1.4
178.99739	1.2
179.03395	5.2
191.05522	10.1
199.09746	2.1
201.11272	5.0
209.11751	14.2
213.11310	1.5
221.06593	4.9
225.11159	1.9
229.09782	2.8
232.22847	1.4
242.47983	1.3
253.09056	1.5
353.67966	1.5
387.07321	2.1
438.16418	1.6
487.33105	1.7
505.33688	1.8
631.37097	14.3
649.37921	15.3
650.37860	2.0
667.38678	2.2
691.39288	4.1
709.39923	4.7
795.36627	4.4
808.94165	2.0
821.38660	9.6
839.39050	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	835.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	0.4
59.01250	9.4
69.03313	0.5
70.91865	0.2
70.92202	0.3
71.01252	8.5
71.04908	0.2
72.01588	0.2
72.99173	0.7
73.02811	1.3
73.84339	0.1
75.00739	0.3
75.75123	0.1
80.02548	1.3
81.03324	1.9
82.66692	0.1
83.01266	1.3
83.04391	0.3
83.04894	5.7
84.02034	0.8
85.02822	2.1
87.00748	2.2
87.14323	0.1
89.02316	6.9
93.03338	0.5
95.01280	0.7
95.04915	1.0
96.95893	1.9
97.02821	1.2
97.06474	0.3
98.95455	0.2
99.00736	0.5
99.04421	0.2
99.21662	0.1
101.02321	6.8
109.02841	0.3
109.06474	0.4
111.00779	0.2
111.04351	0.2
113.02326	3.6
116.92751	0.2
119.03383	2.0
123.04391	0.2
123.08014	0.3
125.02329	3.0
125.05931	0.7
125.09616	0.4
127.11131	0.2
131.03374	0.4
135.08061	0.9
137.02287	0.3
139.03938	0.2
139.07489	0.2
141.01857	0.3
143.03418	1.1
145.04962	0.2
147.11685	0.2
149.04463	0.2
155.03377	0.2
155.10664	0.2
161.04480	1.8
163.11197	4.1
164.11501	0.2
165.12767	2.2
171.10182	1.0
173.04485	0.2
176.20052	0.1
177.12860	0.1
179.03978	0.2
179.05518	2.1
181.12216	0.6
191.05585	0.4
191.10716	1.3
199.06091	0.2
199.13303	0.7
209.11772	100.0
210.12112	5.5
217.07077	0.3
221.06610	1.0
221.11752	0.3
227.03410	0.3
227.12836	16.7
228.13179	1.1
229.14511	0.3
233.11769	0.2
235.08191	2.4
247.13373	0.9
251.12871	0.5
253.09285	0.6
255.03000	0.5
263.07739	0.4
265.14471	0.4
284.03284	0.5
285.03806	0.2
287.07700	0.8
305.08701	0.9
323.09799	0.5
370.90479	0.2
379.12482	2.4
380.12848	0.2
397.13489	17.7
398.13974	1.3
401.23508	0.2
415.14523	5.2
415.19894	0.3
416.14954	0.4
419.24423	0.2
437.25674	0.2
489.10577	0.2
505.09979	0.1
589.24609	0.3
607.25934	0.9
608.25970	0.2
625.27112	0.3
791.37463	0.2
799.37585	0.7
803.28888	0.3
817.37817	0.2
835.39258	0.5
836.39954	0.2
866.36591	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	835.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	4.9
60.25199	0.8
69.87824	3.8
71.01257	1.8
73.02810	0.9
74.76870	0.7
85.02828	2.4
87.00772	2.0
89.02212	0.8
91.01775	2.2
93.03348	2.9
96.92354	1.0
96.95901	3.4
96.99190	2.9
98.19748	0.8
101.02312	1.1
109.02838	3.4
111.04333	1.5
113.02348	1.0
123.04391	3.9
125.02306	1.0
129.01773	0.9
134.03638	13.3
135.04387	3.9
137.02356	1.6
145.02856	2.0
146.03601	5.1
147.04448	3.2
149.05978	1.8
150.05402	0.8
151.00266	1.1
158.03596	4.9
159.04414	9.0
161.05943	1.8
163.03909	1.6
165.01866	1.3
173.04472	3.0
173.06023	2.9
175.03935	2.1
179.03413	1.3
191.05539	12.9
193.04979	5.8
207.04968	2.3
214.39474	0.9
227.03442	6.1
255.02965	10.3
256.03433	1.3
266.05865	3.1
267.06580	2.9
268.07428	1.2
269.08163	0.9
271.02484	2.4
271.09872	1.2
281.08154	5.6
282.08862	3.7
283.09610	1.3
284.03271	11.4
284.10593	1.0
285.03925	3.6
295.06036	6.4
299.01855	1.0
300.02756	1.9
301.03540	1.6
310.08438	7.2
317.79141	1.0
325.10791	4.7
354.07355	1.4
369.09625	2.0
375.50629	0.9
375.56485	0.8
385.11151	1.1
387.10855	100.0
388.11206	8.4
433.07782	1.7
447.09348	20.9
448.09564	3.1
511.36081	2.1
579.20331	1.0
589.27124	1.0
630.41840	1.1
705.14905	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	835.363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.2
61.98708	0.2
65.11562	0.1
69.29070	1.2
71.01255	0.9
73.02846	0.2
77.57948	0.1
78.95776	1.2
79.95605	3.1
80.96397	0.1
81.03297	0.1
83.04889	0.4
83.35574	0.1
85.02836	0.4
87.00739	0.4
89.02316	0.5
93.03346	0.1
95.01202	0.1
95.54951	0.1
96.95889	100.0
97.02826	0.2
97.95833	0.3
98.02370	0.1
98.19826	0.3
101.02307	0.6
107.90392	0.1
113.02331	0.5
119.03425	0.3
125.02324	0.3
135.04385	0.2
139.80687	0.1
149.06046	0.1
161.04489	0.2
163.11200	0.3
171.10251	0.2
173.04460	0.2
175.02390	0.3
177.01970	0.1
191.05544	0.6
199.13359	0.2
201.11163	0.1
207.10205	0.4
209.11757	4.5
210.12048	0.4
211.13383	0.2
225.00737	0.1
225.11308	0.4
227.12865	1.2
229.39513	0.1
235.08130	0.2
285.30991	0.1
397.13544	1.0
415.15009	0.1
512.41156	0.1
543.31775	0.3
799.37445	0.2
817.37433	0.4
835.39044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	0.4
59.01251	9.1
69.03316	0.5
69.33985	0.5
69.34405	1.0
71.01254	7.4
71.04890	0.2
72.01556	0.2
72.99166	0.8
73.02814	1.2
73.67709	0.2
80.02538	1.2
81.03326	1.6
83.01243	1.0
83.04385	0.3
83.04895	5.7
84.02026	0.9
85.02817	1.9
87.00755	1.7
89.02314	6.6
91.03906	0.1
93.03335	0.4
95.01264	0.8
95.04352	0.2
95.04878	0.8
96.95892	1.3
97.02819	1.2
97.06480	0.2
99.00764	0.6
99.04393	0.2
101.02323	5.7
109.06479	0.3
111.00757	0.2
113.02335	3.1
119.03387	2.1
122.43531	0.2
123.08061	0.2
125.02348	2.7
125.05961	0.6
125.09581	0.2
127.03888	0.2
127.11075	0.2
131.03445	0.3
133.04962	0.2
135.08057	0.9
137.02237	0.2
139.03951	0.3
141.01897	0.2
143.03406	1.2
145.04927	0.2
147.11749	0.2
149.04480	0.2
155.10674	0.8
156.11076	0.3
161.04463	1.8
163.11195	4.2
164.11441	0.2
165.12769	2.3
167.03371	0.2
171.10158	1.0
173.04478	0.2
179.05533	2.3
181.12291	0.6
185.04376	0.2
191.05511	0.2
191.10742	0.9
199.05962	0.3
199.09688	0.3
209.11766	100.0
210.12102	5.9
217.07129	0.3
221.06627	0.7
223.13301	0.3
227.03589	0.4
227.12839	15.5
228.13182	0.7
235.08188	2.3
247.13339	0.7
251.12796	0.4
253.09256	0.5
255.02974	0.5
259.08167	0.2
263.07785	0.2
265.14398	0.4
281.01825	0.2
284.03250	0.5
287.07730	0.8
305.08694	0.9
323.09933	0.3
379.12454	2.4
397.13486	19.4
398.13867	1.4
415.14578	5.9
415.19235	0.1
416.14816	0.3
531.51910	0.2
574.15851	0.2
589.25391	0.4
607.26294	0.8
791.37189	0.2
799.37769	0.6
803.27997	0.4
817.38684	0.4
835.35730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.6
59.01249	9.4
69.03310	0.6
71.01250	7.6
71.04887	0.2
71.21594	0.2
72.99172	0.4
73.02826	1.3
80.02544	1.3
81.03319	1.8
83.01254	1.2
83.04894	4.9
84.02027	0.9
84.02463	0.1
85.02827	2.0
87.00747	1.9
89.02314	7.1
91.03877	0.2
93.03311	0.3
95.01261	0.7
95.04892	0.8
96.95864	0.8
97.02818	1.3
97.06470	0.4
99.00757	0.5
101.02319	6.1
107.04897	0.2
109.02810	0.2
109.06443	0.3
111.00781	0.4
111.04356	0.3
111.08035	0.2
113.02322	3.4
114.02748	0.1
116.47382	0.1
119.03377	2.1
124.01569	0.2
125.02341	2.5
125.05946	0.5
125.09637	0.3
127.03930	0.2
127.11192	0.1
131.03426	0.2
135.08090	0.8
139.03929	0.2
139.11214	0.2
141.01883	0.2
143.03412	1.3
149.04492	0.3
149.09567	0.2
156.17892	0.1
161.04471	1.4
163.11201	4.0
164.11501	0.2
165.12756	2.3
166.13043	0.2
171.10136	0.7
179.05540	2.2
181.05023	0.2
181.12279	0.7
185.11823	0.2
191.05460	0.2
191.10742	0.9
199.05983	0.2
201.11290	0.2
209.11768	100.0
210.12099	5.6
217.07166	0.4
221.06696	0.7
223.13321	0.2
227.12833	14.4
228.13152	1.1
235.08139	2.4
247.13382	0.6
251.12907	0.5
253.09283	0.6
263.07397	0.2
265.14316	0.2
287.07813	0.8
287.10663	0.2
305.08850	1.0
323.09796	0.6
379.12463	2.8
380.12955	0.2
397.13486	19.1
398.13885	1.5
415.14560	5.7
416.14737	0.2
419.24698	0.2
501.04633	0.2
519.02173	0.1
556.97424	0.2
589.24963	0.5
603.87225	0.2
607.25751	0.8
608.27545	0.2
799.37512	0.5
817.36835	0.2
835.39044	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	831.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	0.8
59.01250	20.2
61.98698	3.8
69.03307	3.6
69.23775	2.2
69.24196	4.2
71.01253	16.7
71.04861	0.6
72.99178	1.8
73.02808	3.2
75.00735	0.7
78.95765	3.0
79.95596	0.7
80.02528	1.6
81.03320	2.2
83.01264	1.4
83.04896	7.0
85.02829	3.9
87.00750	3.4
89.02316	14.7
93.03322	1.4
95.01267	1.3
95.04919	1.4
96.95889	6.0
97.02819	3.0
99.00745	1.7
101.02320	11.2
102.83426	0.6
109.02847	0.8
109.06480	1.1
111.00736	0.6
111.04401	1.1
113.02309	7.0
116.92773	1.1
119.03409	3.5
125.02324	6.0
125.05983	1.0
131.03384	0.7
137.02411	0.7
141.01639	1.8
143.03403	2.5
152.99478	1.1
161.04460	3.0
163.11191	5.1
165.12743	2.4
167.10666	2.3
171.10124	2.0
179.05573	3.7
179.10695	1.2
179.14301	1.6
181.12247	1.3
191.05551	2.4
191.10690	1.4
195.13817	7.5
205.12267	5.7
207.10194	1.1
209.11761	100.0
210.12079	4.1
221.06635	2.0
223.13342	61.5
224.13660	3.2
225.11296	1.9
227.12839	14.1
228.13222	0.6
235.08186	3.7
241.01120	1.5
253.09213	1.4
255.23239	3.2
261.15021	0.8
277.21686	2.1
287.07831	1.2
291.29346	0.6
305.08868	1.7
323.09702	1.5
327.21906	0.8
379.12451	4.3
397.13513	31.8
398.13879	2.1
415.14560	9.8
433.25797	0.6
525.30511	0.7
603.26550	2.2
607.25836	1.2
621.27393	2.8
813.37872	1.0
814.38251	0.8
831.35901	1.3
831.49799	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	829.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	0.9
59.01250	15.1
61.94391	0.3
69.03324	1.2
71.01248	16.2
72.01572	0.3
72.99179	1.4
73.02814	2.8
73.90543	0.3
75.00746	0.3
78.95776	0.4
81.03337	0.8
83.01256	2.0
85.02824	4.2
86.20127	0.3
87.00747	5.5
88.98680	0.4
89.02314	14.1
91.03861	0.5
95.01270	1.4
95.04926	0.3
97.02823	2.8
99.00767	0.9
101.02318	11.8
101.03000	0.6
102.02680	0.3
109.02812	0.6
111.04408	0.7
113.02328	7.7
115.03860	0.4
119.03391	3.2
121.02847	0.3
123.11951	0.3
124.01517	0.4
125.02339	7.4
125.09604	1.0
127.03892	0.4
127.11197	2.4
131.03415	0.7
133.04956	0.5
139.03920	0.6
141.01875	0.4
143.03406	3.3
150.63109	0.3
151.03993	0.3
153.09074	0.5
161.04456	3.2
161.42917	0.3
167.03441	0.6
171.10173	100.0
172.10510	3.6
179.05507	3.1
185.11769	0.6
199.05946	0.7
204.38815	0.2
209.11794	0.6
213.11322	0.7
217.07066	1.5
221.06592	1.5
223.65222	0.3
227.88382	0.3
235.08171	5.7
245.06627	0.5
253.09196	1.5
259.08087	0.6
259.20416	0.4
263.07684	0.5
277.21698	56.3
278.22018	4.0
278.97751	0.3
287.07672	2.1
301.09250	0.5
305.08856	1.8
323.09872	0.9
379.12442	10.0
380.13025	0.6
397.13477	35.0
398.13791	2.3
415.14575	8.6
416.14743	0.8
551.23431	1.1
569.24487	1.1
657.34656	0.3
675.35699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.5
61.77724	0.2
63.10226	0.2
67.94635	0.2
69.35739	2.3
71.01245	1.4
72.99172	1.0
73.02824	0.4
83.01283	0.4
85.02805	1.1
88.98685	0.3
89.03838	2.4
93.03335	0.8
95.01252	0.3
96.95885	2.5
98.88650	0.2
99.00736	0.7
101.02309	0.5
104.03454	0.7
106.04121	0.4
109.02813	0.5
111.00767	0.3
113.02325	0.7
116.92746	0.4
117.03338	6.6
119.04907	0.3
121.02833	0.6
122.03634	0.3
123.04431	0.2
129.31311	0.2
132.02075	2.2
133.02859	0.5
134.03625	92.2
135.03940	3.2
136.01556	6.4
136.02556	0.5
137.02351	2.0
138.02744	0.2
139.03903	0.7
139.79123	0.2
147.04413	0.3
149.02321	0.3
149.05977	8.4
149.07173	0.4
150.06313	0.3
151.03908	7.1
152.04352	0.3
160.01564	8.0
163.03899	0.2
169.01247	0.3
173.04492	0.3
175.03917	12.1
176.04356	0.6
177.05495	0.3
178.02629	6.4
179.03265	0.4
189.05487	0.3
191.05489	1.3
191.07002	0.4
193.04980	100.0
194.05321	4.4
209.11780	0.5
253.08800	0.3
309.07559	0.6
327.12341	0.4
332.60214	0.2
339.12311	1.4
342.11047	0.3
343.11823	0.2
357.09329	0.4
357.13409	4.0
357.17560	0.4
581.21899	0.3
603.21619	0.3
615.20782	1.1
633.21832	2.8
634.21704	0.4
651.22729	1.0
671.23425	0.3
722.47040	0.9
723.47211	0.8
782.48785	0.3
827.27179	2.4
828.28076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	6.5
67.01763	1.0
69.03313	1.8
69.84958	1.0
70.58309	1.0
70.59866	2.6
70.60198	1.2
71.01248	5.5
78.95773	10.7
80.02547	1.9
81.03334	6.2
82.92542	1.0
83.01259	9.9
83.04893	3.8
85.02783	1.3
88.45660	1.0
93.03334	1.1
95.04910	3.6
96.95894	2.3
97.02837	4.1
97.06467	9.2
106.04136	1.5
108.02091	1.0
109.02905	1.2
109.06441	3.3
111.08003	1.3
113.05947	1.2
121.06439	2.2
123.04408	7.1
123.08044	4.3
125.06025	1.4
125.09606	17.8
126.09785	1.0
131.40221	1.0
135.08025	3.5
137.05960	2.0
137.09622	10.0
139.62796	1.0
141.12752	1.6
149.05980	3.2
149.09642	0.9
152.99431	2.1
161.09676	1.7
163.07591	1.2
163.11203	19.6
164.11482	1.1
165.09140	1.0
165.12732	3.1
167.10635	1.2
167.31375	0.9
168.04178	1.8
171.10179	2.4
177.12682	1.4
181.12236	3.2
185.11736	12.4
191.10713	5.0
191.14317	14.6
197.11780	1.0
199.09666	1.5
207.10213	11.4
209.11760	89.3
210.12076	6.5
211.13263	1.8
217.15907	2.5
224.06987	2.2
225.11288	9.9
226.11661	1.3
227.12842	2.8
242.07936	3.5
243.17657	1.2
245.19081	31.7
246.19437	1.5
259.58261	1.2
263.20291	1.1
265.27130	1.1
271.17017	3.9
277.18582	2.6
277.21704	97.3
278.22086	6.1
289.18082	100.0
290.18323	7.9
307.19135	94.5
308.19464	8.2
502.29361	41.0
503.29834	4.6
653.10510	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	823.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.5
61.98679	0.6
62.31543	0.5
63.69587	0.5
65.84677	0.5
69.03332	1.2
70.62966	0.9
70.63307	1.3
71.01253	9.3
72.22889	0.6
73.02822	1.8
75.95229	0.5
78.95754	1.0
79.95583	0.8
80.96396	2.5
83.01247	1.4
84.02024	0.7
85.02827	10.6
87.00754	2.2
89.02296	5.9
91.03875	0.8
94.97940	1.2
95.01253	1.0
95.04841	0.7
96.84041	0.6
96.95896	1.3
97.02803	2.0
97.06469	2.1
99.00721	0.8
101.02315	8.1
103.03903	0.7
110.94315	0.6
111.04401	0.6
111.08035	1.6
113.02327	4.3
114.93369	0.5
115.17708	0.5
118.89388	0.6
119.03380	2.3
125.02376	0.7
125.09579	0.8
127.11163	0.6
133.04990	1.5
137.09612	2.5
145.04945	2.2
161.04462	3.5
169.12219	1.0
171.10181	17.9
172.10580	0.7
179.05482	0.9
183.13835	9.1
193.12277	0.8
195.13831	3.4
197.11789	4.2
201.11220	1.1
211.13341	8.4
221.11739	0.9
223.17018	0.9
229.14409	2.9
233.15521	0.9
233.22656	0.8
235.05795	0.9
235.08174	14.8
251.16557	2.4
253.09251	30.5
254.09641	1.2
269.17502	0.7
277.21710	100.0
278.22040	6.5
291.19626	4.4
293.21191	7.7
295.22787	15.3
296.23181	0.9
309.20706	19.5
310.21085	1.8
311.22205	6.1
327.21741	67.7
328.22083	3.9
543.97760	0.6
545.29773	2.0
563.30646	1.7
587.43024	2.5
646.67633	0.7
733.37988	0.8
823.43079	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	823.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	11.0
61.98693	6.0
65.02700	2.0
65.78060	2.1
67.47868	2.0
68.53806	2.0
71.01247	29.6
71.56974	2.9
73.02800	2.9
78.95782	4.1
80.96363	2.3
82.95273	9.1
83.02377	2.1
83.04903	3.8
85.02850	3.1
89.02348	2.8
96.95862	2.3
101.02297	3.1
109.06462	4.9
113.05967	2.2
122.92046	2.3
125.09595	4.9
141.01672	2.7
163.11182	5.5
171.10187	11.2
176.04378	2.0
185.11748	2.8
197.11728	3.5
199.09714	10.4
201.11256	4.5
207.10165	12.8
209.11760	100.0
210.12178	5.2
225.11342	11.2
227.12839	25.7
235.08186	3.8
250.41643	2.6
253.09291	12.2
277.21756	6.5
289.18097	8.0
307.19156	5.1
373.07822	2.1
461.20364	4.1
487.33676	2.2
645.31287	2.9
653.29449	4.2
671.32880	4.5
672.33252	2.7
717.13690	2.4
763.45215	2.6
823.38849	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	823.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	20.0
61.98690	5.6
64.94756	4.4
70.80492	11.5
71.01254	18.6
80.96413	22.6
85.02833	10.0
89.02308	7.5
94.97943	5.2
96.95868	13.6
101.02299	11.4
125.35353	5.3
137.00319	4.7
161.04492	5.0
163.11108	5.6
164.98665	6.3
171.10172	17.4
185.11757	5.7
191.05608	9.0
197.11734	12.8
199.09633	11.1
201.11348	7.6
207.10220	6.5
209.11736	100.0
225.00790	7.4
225.11322	8.5
227.12827	18.0
253.09259	19.4
280.46423	5.2
289.18002	8.0
291.19772	9.4
307.19080	6.3
309.20670	55.1
482.60782	6.3
545.29883	5.3
680.94714	4.8
823.41528	60.7
824.42981	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	823.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	1.3
59.01251	18.2
61.98687	0.8
69.03315	2.6
71.01250	16.5
71.04877	0.7
71.57189	0.9
72.99166	1.8
73.02820	3.2
78.95779	0.7
80.02530	0.6
80.96381	4.0
81.03320	1.0
82.95962	1.1
83.01265	3.0
83.04898	1.0
85.02822	10.1
87.00759	3.5
89.02316	13.7
95.01250	0.8
95.04877	1.0
96.95859	1.3
97.02840	3.2
97.06460	12.2
99.00726	1.0
101.02316	12.4
111.08041	0.6
113.02333	6.3
113.09578	1.1
119.03368	3.5
123.08035	6.7
125.02312	2.0
125.09608	58.5
126.09915	2.3
127.11146	1.0
129.09090	0.7
131.03464	0.9
137.09598	2.2
143.03441	2.0
143.10661	1.0
149.04503	0.7
155.10704	0.9
161.04477	3.1
165.12697	1.0
169.08586	1.2
169.12231	0.7
171.10181	18.2
172.10469	1.1
179.05501	1.6
181.12242	1.6
182.13290	0.6
183.13843	1.6
185.11702	0.9
187.09683	32.0
188.09999	1.6
193.12312	1.0
195.13811	3.8
197.11749	3.9
201.11221	1.6
209.11786	1.4
211.13347	9.2
217.07048	0.8
221.06422	0.9
223.13338	1.5
225.00653	1.1
227.12822	0.9
229.14436	3.0
235.08150	5.9
239.12801	0.9
250.27090	0.7
253.09258	26.6
254.09654	1.2
255.23265	34.0
256.23599	2.4
275.20203	2.4
277.21710	35.7
278.21994	2.3
291.19620	6.8
293.21213	31.3
294.21524	2.2
295.19440	1.0
295.22766	18.1
296.23059	1.9
309.20703	20.6
310.21146	1.5
311.22275	26.5
311.25888	1.4
312.22565	1.6
327.21747	51.4
328.22031	4.1
397.13354	3.6
415.14407	0.9
545.29761	1.4
547.31287	0.8
563.30566	2.4
567.23090	1.5
583.06873	0.7
585.24115	1.7
587.43219	2.7
643.41687	0.8
694.48291	0.6
805.42627	0.7
815.48163	0.7
823.46948	100.0
824.47144	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	821.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.0
59.01250	6.4
61.98705	5.4
65.89965	0.3
69.03322	1.2
71.01247	5.5
71.04895	0.4
72.99189	0.4
73.02814	1.1
75.26354	0.4
75.99820	0.3
78.95776	0.9
79.95633	0.4
80.91568	0.8
80.96375	2.8
81.06807	0.4
83.01265	0.8
83.04879	0.5
85.02827	1.6
86.08971	0.3
87.00740	0.9
89.02314	3.9
95.01263	0.4
96.95886	1.7
97.02837	1.3
97.06440	0.5
99.00772	0.6
101.02323	5.4
104.92439	0.4
109.06453	0.6
111.08041	7.3
112.08363	0.4
113.02339	2.6
119.03374	1.4
121.10149	0.5
125.09645	0.8
127.07536	0.7
137.09644	0.4
151.11165	0.6
153.09105	0.7
153.12740	0.8
161.04459	2.3
163.11192	0.8
165.12752	0.8
167.10692	0.6
169.12236	3.4
171.10194	2.2
179.05513	1.2
179.10623	0.8
179.14287	0.9
181.12195	1.2
183.13817	1.0
195.13824	8.5
196.14368	0.7
197.11755	40.4
198.12061	1.6
199.13304	2.6
205.12157	0.4
205.15939	0.7
207.10135	0.5
209.11722	0.6
209.15352	0.7
211.13306	7.4
223.13324	5.1
224.13850	0.5
225.00650	0.7
227.12830	1.7
228.13541	1.3
233.15630	0.5
235.04723	0.5
235.08214	2.3
241.01225	0.4
247.20599	1.2
249.14890	0.8
253.09247	28.4
254.09561	1.0
256.13113	1.5
263.20224	2.3
265.18109	1.1
273.18597	1.3
275.20160	6.5
276.20532	0.5
277.21628	1.7
279.23242	0.6
289.18137	0.6
291.19644	22.5
292.20093	2.6
293.21204	100.0
294.21487	8.4
309.20685	63.6
310.20984	5.1
367.49423	0.4
423.52313	0.3
433.21033	0.6
492.22330	0.5
527.28302	0.5
529.30298	0.9
545.29712	2.0
585.41663	2.3
595.28467	0.4
803.39575	0.8
821.40979	2.2
822.42444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37505	0.6
59.01250	100.0
60.01588	1.4
61.98704	4.7
71.01250	3.4
71.56862	1.1
74.10442	0.6
78.95761	1.4
80.96396	1.4
85.02846	0.6
87.00757	1.5
89.02335	1.5
91.21628	0.5
96.95907	0.6
97.02837	1.0
101.02355	1.5
113.02352	1.6
125.02304	1.0
141.01595	53.7
142.01959	1.1
171.10184	0.8
191.05540	0.7
197.11760	0.6
204.72755	0.6
209.11794	1.2
235.08292	1.1
247.37172	0.7
253.09212	0.8
260.72256	0.5
279.23352	7.1
291.19720	1.6
293.21350	0.7
309.20892	0.7
361.23627	4.5
397.13470	11.7
398.13843	0.7
415.14575	3.0
419.11963	2.0
437.12610	4.0
469.06815	1.0
699.36053	2.5
700.36816	0.6
819.39166	0.7
843.66382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
59.01246	5.7
59.57614	0.6
61.98698	10.1
71.01246	4.8
71.04883	2.3
71.57046	1.0
72.92931	0.8
73.02834	0.7
73.05614	0.7
78.95776	1.3
78.98444	0.8
79.95596	1.0
80.96391	7.6
81.03353	1.0
83.04890	1.0
85.02831	1.0
87.00723	1.3
87.73067	0.7
89.02311	2.5
94.97968	1.7
95.04918	0.7
101.02343	3.8
107.04884	0.7
109.06467	7.0
111.04398	2.2
111.08012	1.8
113.02306	2.8
119.03383	0.8
123.08028	1.2
127.07532	1.2
135.08098	0.8
143.03305	0.7
145.05121	0.6
145.06447	1.9
149.09552	1.5
161.04454	1.4
163.78157	0.8
167.10690	1.4
177.12785	0.8
179.05595	0.8
179.14427	0.8
181.12215	0.8
195.13828	9.3
201.11130	0.7
223.13304	5.3
225.00729	1.6
228.13556	0.8
230.94186	0.6
235.08157	2.5
245.19077	4.3
253.09242	18.0
256.13187	1.1
271.17084	1.4
275.20197	3.9
277.21951	0.7
287.16495	1.7
289.18082	100.0
290.18384	7.9
291.19650	0.9
293.21210	85.4
294.21512	5.8
307.19202	4.1
309.20508	0.9
341.54312	0.7
395.98730	0.7
525.26935	3.3
526.16882	0.8
589.82654	0.8
819.41962	4.8
820.42578	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	821.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	0.9
61.51931	0.4
63.02261	0.5
65.00193	0.7
71.01286	0.7
71.38036	1.1
89.02373	0.4
91.01785	1.1
93.03310	3.2
96.95875	2.5
96.99213	1.6
107.01250	1.8
108.02077	1.8
109.02793	0.9
117.03358	0.6
119.04877	3.3
121.02841	1.1
123.04383	2.2
130.04115	0.5
130.39189	0.5
133.02814	0.8
134.03662	3.2
137.02412	0.7
143.04929	3.3
145.02876	1.2
146.03651	1.7
147.04439	0.8
148.01584	0.8
151.00266	7.0
158.03601	1.4
159.04384	2.1
161.05908	1.0
163.00276	1.6
163.03879	2.3
166.41405	0.5
173.04497	4.8
173.05884	0.9
178.99738	3.0
187.03911	0.9
191.05550	0.9
193.04973	1.6
226.02756	0.9
226.06303	1.1
227.03491	1.9
241.08633	0.7
242.24834	0.5
243.02968	5.5
245.04475	0.9
251.07094	4.8
252.07759	2.2
253.08693	1.4
253.18460	0.5
254.02228	1.5
254.09341	0.8
255.02946	17.0
256.03424	1.1
271.02457	36.5
272.02997	3.3
279.06689	1.5
280.07318	3.7
281.07870	0.5
283.02640	0.6
295.09695	3.5
298.92419	0.6
299.02054	1.0
300.02725	63.8
301.03458	24.4
302.03961	0.8
303.08984	0.8
339.08551	1.3
357.09756	47.9
357.15210	1.7
358.10049	3.8
463.08804	100.0
464.09039	9.6
819.09253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	1.7
59.00947	1.5
59.01249	27.5
61.98690	1.1
71.01256	10.7
71.38189	2.2
72.99173	1.2
73.02810	1.4
80.04915	1.5
85.02824	4.3
87.00748	2.6
89.02303	7.6
93.03346	2.4
95.01230	1.2
96.95886	53.3
99.27217	1.1
101.02321	8.4
104.04927	1.3
106.06505	5.7
108.04401	2.8
109.02847	1.5
109.23392	1.1
111.48573	1.0
113.02315	3.1
119.03397	2.6
120.04404	1.1
120.08072	3.1
121.02802	1.1
121.05215	2.2
122.06000	17.5
125.02348	1.6
132.04436	4.9
134.06007	32.5
135.04459	2.5
135.06369	1.9
136.07571	4.0
146.05994	2.8
148.03973	8.7
152.07085	6.6
158.05951	1.2
160.03874	5.4
160.06322	3.1
160.07483	1.1
161.04489	1.4
162.05501	2.0
162.09126	3.5
173.04434	3.7
174.05554	2.0
180.06573	5.0
191.05544	12.5
192.06021	1.4
207.04895	1.2
211.08650	2.0
213.10254	17.9
223.08757	1.5
225.10301	4.0
226.11131	1.9
237.10277	4.0
238.10945	2.7
239.08131	1.5
239.11864	6.3
241.13434	16.1
249.10237	2.4
251.08246	2.7
251.11867	11.0
252.12474	2.5
253.09657	3.6
253.13371	3.5
261.10016	3.5
265.13525	1.9
266.10526	1.8
267.07031	1.3
267.11386	9.5
267.14514	5.3
268.07416	1.9
268.12115	1.4
277.09833	2.4
279.11374	9.1
280.12036	1.7
281.12808	2.3
285.12436	41.4
286.12619	2.4
287.09525	1.3
289.11139	26.1
290.06607	2.1
290.11575	2.0
291.11099	1.6
295.10840	41.1
296.11203	4.4
305.08978	6.5
312.11182	1.3
313.11862	2.1
317.09061	2.2
335.10089	31.3
336.10498	2.2
355.12900	11.8
358.15497	1.8
370.15515	1.2
374.18628	2.8
377.11118	31.0
378.11356	3.8
384.17239	1.5
398.18643	2.8
399.19144	3.2
423.75391	1.1
444.96695	1.3
459.17880	2.8
578.24634	3.8
579.25714	2.0
607.82300	1.2
612.24713	1.4
623.24097	1.8
640.24622	3.4
654.26923	12.2
655.26703	1.6
666.22650	1.6
701.31702	7.9
702.31854	1.5
717.31415	1.2
745.30884	100.0
746.31036	16.0
746.44122	1.7
777.33417	29.1
778.33813	5.2
803.31177	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	821.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	29.8
61.98698	100.0
66.71635	6.9
71.01249	23.7
78.95792	11.6
79.95604	18.7
80.83369	7.0
80.96394	41.5
83.04889	11.3
85.02816	12.3
96.95898	32.6
97.06509	8.9
101.02306	9.1
117.05481	7.4
125.05759	6.6
131.00481	6.9
134.70886	7.3
139.51888	7.9
163.11186	10.6
171.10107	20.3
182.43866	8.2
191.01842	7.5
197.11758	9.2
204.62807	6.7
207.10201	23.2
209.11766	63.3
225.11279	16.7
227.12663	9.7
230.46628	11.3
235.08466	8.5
253.09273	15.3
276.75174	8.8
289.18188	8.0
293.21350	14.0
307.19009	18.8
312.25021	7.6
821.39673	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.6
59.01245	6.3
61.96103	0.6
61.98686	2.4
66.26374	0.5
68.80213	0.5
69.03322	0.8
71.01251	5.2
71.58074	0.6
78.95783	1.1
79.95598	0.9
80.96384	3.3
83.04913	0.7
85.02800	1.5
87.00749	1.2
89.02332	5.1
94.98054	0.8
95.01254	0.7
96.95905	1.6
97.06476	0.8
97.63135	0.6
101.02325	6.4
111.08044	11.1
113.02322	2.7
113.09605	0.8
119.03412	0.8
125.02334	0.7
125.30224	0.6
127.07537	0.6
143.03336	0.7
151.11168	0.9
153.12766	1.6
161.04460	3.6
167.10719	0.7
169.12271	4.5
171.10173	2.2
177.12744	0.9
179.05545	0.9
179.10603	0.9
179.14227	0.7
181.12289	1.7
183.13783	1.1
195.13847	7.8
196.14386	0.7
197.11765	49.7
198.12117	2.4
199.13335	4.3
209.11836	0.8
211.13324	9.5
223.13321	6.4
225.00780	0.8
227.12753	1.0
235.08165	2.5
253.09261	32.8
254.09512	2.0
256.13226	1.7
263.20120	4.0
265.18048	1.8
275.20139	6.2
277.21542	1.1
280.23480	0.8
289.18054	0.7
290.18536	0.7
291.19672	16.9
292.20020	2.1
293.21219	100.0
294.21552	6.5
309.20703	72.1
310.21057	5.4
333.78552	0.7
433.20908	0.8
492.22208	0.7
527.28723	0.8
545.29663	1.3
585.41589	2.9
821.42377	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	0.5
59.01250	13.7
60.45432	0.4
60.85211	0.4
60.94634	0.4
61.98704	2.9
62.93861	0.5
63.64867	0.5
65.33657	0.5
69.03307	1.3
71.01254	10.4
71.57731	0.5
72.99177	1.3
73.02827	1.6
73.58600	0.5
75.00754	0.8
78.95779	1.3
80.02544	0.6
80.96371	0.6
81.03320	0.9
83.01244	1.3
83.04895	3.6
84.02039	0.6
85.02817	2.6
87.00737	2.8
87.76631	0.5
88.12241	0.4
89.02314	8.3
95.01244	1.1
95.04839	0.8
96.95871	3.0
97.02840	2.1
99.00763	0.8
101.02313	8.7
109.06483	0.7
113.02331	4.8
114.00941	0.6
118.99933	0.5
119.03381	2.2
125.02340	4.3
135.08066	0.6
139.03888	0.9
143.03401	1.9
146.69345	0.5
149.02234	0.5
161.04454	2.8
163.11177	2.4
165.12730	1.6
171.10124	1.0
173.02835	0.5
173.04439	1.0
179.05540	2.3
181.12343	0.6
191.05624	1.2
191.10718	0.9
207.10179	1.4
209.11760	100.0
210.12077	6.0
211.13335	1.1
225.11275	1.1
227.12819	7.7
235.08144	3.8
253.09138	1.0
282.95343	0.5
287.07663	1.3
298.58417	0.5
301.58694	0.6
305.08691	1.0
342.21829	0.6
371.05396	0.5
379.12338	3.6
380.12866	0.6
397.08347	1.1
397.13504	21.9
398.13919	1.9
415.14532	5.4
448.29010	0.6
538.18695	0.6
562.00958	0.5
607.26300	1.1
799.39111	0.6
817.37665	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	819.366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.2
58.00466	1.6
59.01250	100.0
60.01577	1.1
61.98718	1.6
63.17709	0.8
67.64208	0.7
68.99448	0.8
69.03337	2.8
70.70042	1.5
71.01253	41.6
72.01569	1.0
72.99168	2.0
73.02821	12.0
75.00719	0.9
75.10893	0.6
78.95784	1.3
79.73261	0.8
79.95651	0.9
81.03351	0.8
83.01259	6.8
83.04881	0.9
84.02057	1.0
85.02822	20.4
85.99953	0.7
87.00755	8.1
87.01211	0.9
87.04403	2.5
89.02315	14.5
93.03348	1.1
95.01257	4.6
96.95890	28.4
97.02851	3.2
98.95490	1.4
99.00755	4.5
101.02323	24.8
111.00784	2.2
112.01533	1.2
112.98495	1.7
112.99847	1.0
113.02323	22.3
113.03466	1.0
116.92781	1.1
119.03374	4.3
121.02823	1.0
124.01576	3.0
125.02339	7.1
129.01842	1.0
131.03395	0.9
133.40121	0.7
135.04472	1.7
142.02588	1.2
143.03401	6.0
146.15578	0.7
151.00311	0.8
155.10713	1.8
161.04457	5.8
169.12291	1.5
171.10216	1.7
173.04506	1.3
177.01939	0.9
178.17603	0.7
179.03493	0.9
183.13907	0.7
191.05586	4.0
192.06004	0.7
193.61617	0.7
197.11829	1.6
207.10207	0.9
209.11787	8.8
210.12076	1.3
211.13307	5.8
220.76862	0.8
221.22256	0.7
225.11296	1.6
227.12968	1.0
235.08107	0.8
271.02505	1.7
299.02054	5.9
300.02927	2.1
397.13565	2.5
465.22379	0.9
467.30240	6.3
475.14319	0.9
485.31308	3.9
501.24969	0.8
527.32581	1.1
593.33356	1.8
608.13940	1.2
611.34326	24.2
612.34662	3.7
629.35406	57.8
630.35547	9.2
647.36353	18.1
648.36926	3.6
671.36456	12.3
672.37317	2.3
689.37598	21.8
690.38464	3.3
731.39380	1.5
791.95709	0.9
819.44391	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	819.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.0
58.00451	1.0
59.01251	100.0
60.01556	0.9
61.98691	2.8
63.10182	0.8
67.01763	1.0
69.03334	2.5
70.91633	2.8
71.01255	46.8
72.99169	3.6
73.02822	10.6
75.00710	1.1
76.71133	0.9
78.91777	1.3
78.95760	1.0
79.95604	2.2
80.91559	12.9
81.03321	1.4
83.01268	7.9
83.04900	1.2
84.02019	1.3
85.02825	26.7
87.00759	7.1
87.04394	2.3
89.02319	14.7
93.03355	2.1
95.01267	5.6
96.95889	42.8
97.02832	4.4
98.20428	1.3
99.00755	3.9
101.01686	1.8
101.02322	24.5
101.05958	1.8
109.06488	1.1
109.65629	0.8
110.91828	0.8
111.00763	1.7
111.70113	0.8
112.01540	1.0
113.02332	31.0
119.03389	5.7
124.01543	3.5
125.02330	10.0
128.51906	1.0
129.01852	1.0
135.04422	1.4
137.02312	1.8
138.01805	1.0
141.01788	1.5
143.03419	7.1
148.51245	1.0
155.03395	1.5
159.02841	1.2
161.04463	8.1
171.10155	1.7
173.04446	3.2
175.02382	1.1
185.11874	1.7
191.05580	7.4
192.05962	1.1
207.10188	2.3
209.09872	1.5
209.11781	23.1
209.76749	1.0
210.12061	1.5
211.13353	8.3
225.11230	1.2
227.12837	4.0
243.02774	1.0
249.09932	1.8
271.02328	1.6
299.01947	6.8
300.02637	1.6
300.57059	1.1
316.40350	1.1
336.41608	1.0
340.17285	1.1
397.13452	4.1
415.14578	1.8
446.53665	1.0
467.30164	7.6
485.31165	6.0
575.32300	1.5
593.33002	1.9
608.13934	2.3
611.34290	23.5
611.44171	1.5
612.34497	4.3
629.35413	65.0
630.35730	8.0
647.36395	21.2
648.36975	3.2
671.36694	10.7
672.37097	1.9
689.37585	22.4
690.37775	4.1
731.38513	2.2
780.33612	1.0
819.39539	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	813.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.6
60.99202	3.6
61.98700	13.7
69.37794	14.0
69.38219	22.4
71.01257	14.7
80.02579	5.5
80.27773	4.0
81.03314	4.7
83.04900	7.8
85.20491	3.4
87.00773	4.5
89.02308	7.4
96.95879	7.6
97.02837	7.4
101.02340	10.5
101.53119	3.5
106.04152	4.1
109.06467	27.6
111.08048	5.9
113.02306	6.4
116.92799	3.8
142.28654	4.0
163.11183	19.8
165.12692	4.9
171.10162	7.3
181.12315	6.4
197.11778	22.2
207.10205	78.9
209.11748	100.0
210.12138	4.9
225.11276	22.5
227.12895	16.0
235.08144	5.9
245.18973	5.6
253.09369	24.6
265.10858	3.7
289.17987	32.0
291.19678	18.8
307.19159	34.7
307.37686	3.6
308.76016	3.6
309.20755	45.6
310.21176	4.6
313.44836	3.8
430.69540	5.0
443.19238	5.6
461.20377	9.3
518.55438	4.2
533.58496	3.6
538.34100	3.9
638.40009	3.9
739.77338	4.7
753.40491	23.7
754.41150	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	815.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.8
58.00471	1.2
59.01249	63.8
61.98672	1.7
69.03284	1.1
71.01253	27.8
72.99178	3.3
73.02816	10.8
79.95607	0.7
83.01264	4.6
85.02827	6.3
87.00751	2.4
89.02320	11.4
95.01277	1.8
96.95264	1.3
96.95885	20.0
97.02837	0.9
99.00755	1.7
99.04433	0.7
101.01695	1.0
101.02326	14.6
107.01270	1.9
109.57236	0.7
113.02325	8.1
117.37074	0.6
119.03382	3.6
125.02347	2.8
148.34071	0.7
151.00264	4.2
152.01044	0.9
155.10699	2.1
161.04443	1.9
169.01352	1.0
171.10170	0.8
178.99803	4.3
191.05534	1.9
191.70956	0.6
204.46773	0.7
207.10255	0.7
209.11742	2.1
211.13136	0.7
242.31874	0.7
271.02716	0.8
300.02740	1.3
307.93292	0.7
481.27969	3.2
505.28040	2.3
523.29114	100.0
524.29449	12.8
547.29565	1.8
565.30017	1.5
593.23859	1.5
611.25244	1.9
749.46655	0.8
815.30737	4.0
815.49139	1.0
846.90869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.0
63.51204	1.4
64.73753	1.5
66.02389	1.4
71.01261	3.7
71.57422	2.2
73.02801	2.7
76.31080	1.4
77.19701	1.3
78.95775	93.3
80.02559	2.7
80.40435	1.3
80.96397	2.4
81.03307	1.8
83.04900	5.0
89.02331	2.3
96.14452	1.6
96.96836	23.8
101.02326	2.7
106.25989	1.6
107.03939	1.3
109.06456	5.3
125.09660	2.5
126.67175	1.3
127.11209	4.3
134.98465	1.8
139.32954	1.5
139.90082	1.5
152.99487	21.4
155.10713	1.6
163.11189	6.1
164.91342	1.7
165.12694	1.8
170.23122	1.5
171.10170	67.8
172.10493	2.1
174.07770	1.4
181.12289	2.7
185.04459	1.5
199.09697	6.1
201.11252	6.1
207.10239	7.2
209.11766	100.0
210.12088	3.9
215.12971	1.8
223.00021	6.1
225.11288	9.3
227.12846	9.1
235.08267	3.6
239.21153	1.5
241.01154	53.3
253.09245	7.3
255.23273	61.3
255.25948	3.5
256.23587	5.4
259.02225	4.9
261.13467	3.2
277.21710	74.3
278.21985	7.1
297.03705	2.4
309.20871	1.5
375.65973	1.6
391.22443	4.1
445.20547	3.5
520.73102	1.6
553.27765	3.2
670.28204	1.7
725.38788	60.1
726.38849	12.7
753.38416	2.6
779.40051	6.4
797.40863	34.9
797.54803	1.2
798.41199	7.6
815.42096	17.6
816.41766	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	817.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01598	1.0
61.98699	51.3
64.01820	0.4
69.03330	0.7
69.60799	1.5
69.61217	1.3
71.01252	2.7
71.32312	0.3
73.02797	0.7
78.95782	0.7
80.96390	0.8
83.01240	0.4
85.02826	0.7
87.00758	0.7
89.02311	2.6
95.01266	0.7
96.99199	1.7
97.02843	1.8
101.02299	2.1
103.91916	0.4
113.02318	1.2
125.02323	0.9
126.76977	0.4
141.01595	53.0
142.01907	0.8
142.04947	0.6
149.25563	0.4
164.07002	0.4
167.64290	0.4
183.14165	0.4
197.11763	0.9
209.11790	1.3
225.11060	0.4
229.11676	0.4
235.08188	0.9
243.04811	0.5
251.16040	0.4
253.09216	0.5
277.21689	5.5
305.08875	0.6
309.20468	0.6
335.61887	0.4
359.22076	3.7
360.22324	0.5
397.13477	10.5
398.13541	0.8
415.14658	2.2
419.11493	1.5
420.11914	0.5
437.12814	3.7
438.13449	0.5
443.04263	0.4
469.06451	1.0
675.35883	0.6
697.33691	1.8
817.37189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.34903	0.3
60.01587	0.7
61.98702	9.8
62.47231	0.4
69.03310	0.4
69.78906	0.3
70.61234	0.3
71.01254	3.6
73.02814	0.4
78.11868	0.3
80.96385	1.2
83.01257	0.4
83.60416	0.3
85.02825	0.6
87.00742	0.9
89.02300	1.8
95.01215	0.3
96.95889	0.3
96.99229	0.5
97.02829	0.6
99.00736	0.4
101.02316	2.6
103.91908	0.3
113.02331	1.3
119.03469	0.4
125.02345	1.0
138.37460	0.3
141.01598	53.6
142.01953	0.9
143.03398	0.5
158.89291	0.3
161.04459	0.5
164.98462	0.3
171.10204	0.4
191.05594	0.4
194.09564	0.3
197.11749	1.4
199.13483	0.3
207.10172	0.4
209.11697	2.1
211.13338	0.6
229.31625	0.4
235.08220	0.8
243.04742	0.6
253.09311	0.6
277.21707	6.8
278.22083	0.6
293.21207	1.5
302.68744	0.3
309.20679	0.7
359.22028	3.9
360.22284	0.5
397.13477	12.1
398.13611	0.9
415.14594	2.8
419.11621	2.2
437.12692	3.2
438.12848	0.4
469.06500	0.8
471.34515	0.4
471.73874	0.4
473.33368	0.4
602.66510	0.3
675.36322	0.6
697.33728	1.8
817.39038	0.5
844.71210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51237	9.2
59.01261	17.8
61.98705	19.2
68.39186	9.8
70.10204	35.0
71.01224	11.1
78.95801	28.8
81.91992	7.7
96.95901	14.4
98.20470	10.8
101.02333	13.9
104.10433	8.9
130.25777	11.0
135.08153	10.4
150.84615	9.8
171.10254	10.9
196.95235	9.8
209.11769	100.0
215.80363	10.2
227.12878	19.7
253.09180	18.4
268.09961	10.7
293.21246	62.6
294.21924	10.4
334.44556	10.7
445.20529	13.9
635.86871	10.0
673.28558	10.8
807.43079	32.8
808.44043	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	807.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
58.00458	1.0
59.01250	17.9
63.38298	0.3
67.01801	0.3
69.03328	1.1
70.59389	0.9
71.01253	18.0
72.01568	0.4
72.99177	1.6
73.02813	2.7
75.00729	0.5
78.95791	0.4
80.96373	1.2
81.03339	1.0
83.01257	2.3
85.02820	5.1
85.99994	0.3
87.00752	6.3
89.02318	13.3
90.02698	0.3
91.03880	0.3
92.63383	0.3
95.01256	1.3
95.04843	0.2
95.69565	0.2
97.02828	3.2
99.00749	0.8
101.02322	13.5
109.02853	0.4
111.04427	0.8
113.02325	7.9
115.03918	0.4
119.03391	3.4
121.02834	0.3
123.08012	0.3
124.01550	0.4
125.02340	7.1
125.09602	1.0
127.03894	0.3
127.11193	1.8
131.03398	0.4
133.04944	0.5
133.24950	0.2
137.02292	0.3
139.03934	0.4
141.01860	0.3
143.03391	2.8
148.71596	0.2
149.04468	0.6
152.99570	0.3
153.09145	0.7
161.04451	3.5
167.03445	0.5
171.10178	100.0
172.10509	4.5
179.05530	3.3
185.11673	0.3
199.06082	0.8
213.11246	0.4
217.07143	1.3
221.06606	1.2
225.00871	0.3
235.08217	6.0
236.08438	0.3
245.06671	0.5
253.09286	1.3
255.23260	68.5
256.23593	5.1
259.08188	0.7
263.07709	0.7
269.24866	0.7
287.07666	2.5
293.21243	0.8
295.22803	1.4
297.24475	0.6
305.08701	2.6
323.09970	1.1
325.66681	0.3
361.11237	0.6
379.12457	12.4
380.12839	1.0
397.13492	35.8
398.13892	2.7
415.14536	6.8
416.14984	0.5
543.31836	0.3
551.23627	1.2
569.24530	0.7
570.25128	0.3
635.36597	0.5
653.37457	1.4
807.42682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	2.8
63.52164	1.5
71.57368	1.9
93.03315	2.0
96.95885	100.0
114.58045	1.7
191.03877	1.9
191.05566	5.1
241.14503	9.7
244.20134	1.7
272.59457	1.5
321.10123	77.3
322.10349	5.1
357.09811	5.2
533.60675	1.9
608.12323	2.1
704.07434	1.9
715.54865	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	809.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	19.8
60.37593	4.3
61.98697	19.3
71.01258	16.9
71.57707	5.5
73.02786	4.3
79.03183	5.1
83.04903	6.7
85.02840	5.8
87.00754	8.6
89.02296	7.4
93.03329	11.9
96.95901	35.0
109.06488	6.3
116.92757	10.2
117.01801	5.3
121.02835	5.0
135.04442	5.5
163.11208	5.1
171.10176	15.8
173.04494	11.5
185.11795	8.4
191.05563	28.0
197.11778	12.4
201.11298	19.5
207.10213	9.5
209.11768	100.0
211.13284	6.4
220.86478	5.3
225.11325	12.6
227.12904	28.7
235.08185	13.1
253.09277	28.9
267.07962	4.8
291.19684	14.4
296.20514	5.0
309.20883	39.1
310.20911	5.0
327.21844	33.0
328.22012	5.0
329.23239	14.5
348.64450	4.6
445.20602	5.9
456.44147	6.2
546.62622	5.4
563.30627	9.6
755.41083	9.6
773.42957	8.4
809.41180	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.1
59.01245	0.6
65.03841	0.1
71.01244	0.4
71.57709	0.1
72.99178	0.6
73.02823	0.2
78.08525	0.1
80.98346	0.1
83.01249	0.1
83.35465	0.1
85.02827	0.3
88.98650	0.1
89.02314	0.1
90.54105	0.1
93.03336	48.5
94.03661	1.3
95.01191	0.1
96.95918	0.4
99.00784	0.2
99.04388	0.1
101.02316	0.2
108.02067	0.3
109.02821	0.3
113.02335	0.3
119.04993	0.1
119.86625	0.1
121.02814	0.2
125.02299	0.1
135.04404	0.1
136.01559	2.7
137.02342	100.0
138.02672	3.1
151.00304	0.1
151.03909	3.1
152.04208	0.1
153.01854	0.1
153.90698	0.1
161.02393	0.1
163.03886	0.1
173.04451	0.2
175.03923	0.1
175.07707	0.1
179.03412	0.3
191.05534	0.6
191.07153	0.2
201.11227	0.1
209.11795	0.2
211.12372	0.1
241.05009	0.1
255.02985	0.1
271.02707	0.1
279.06802	0.1
300.02847	0.3
301.03604	0.3
324.10010	0.1
327.12335	0.6
339.12442	0.4
342.11023	0.1
343.11871	0.3
357.13428	1.5
358.13788	0.1
470.99500	0.1
505.10208	0.3
538.03088	0.1
633.21869	0.3
645.21515	0.1
657.22253	0.2
661.21088	0.1
675.22937	0.7
676.23389	0.1
693.23981	0.4
813.26062	2.2
814.26062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28357	0.1
70.25939	0.1
73.02820	0.1
73.14693	0.1
73.37041	0.1
79.95600	1.5
95.95115	0.1
96.95887	100.0
97.95829	0.3
230.30794	0.1
234.59607	0.1
236.71698	0.1
305.10620	59.1
306.10956	4.3
364.27625	0.1
457.17154	0.3
501.79037	0.1
529.41223	0.1
680.55127	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	807.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	11.8
61.98707	8.2
69.03340	2.1
70.83685	3.2
70.84039	4.0
71.01257	10.2
73.02824	3.0
78.95766	1.8
83.04875	3.2
85.02822	3.0
87.00756	5.2
88.98679	6.0
89.02304	5.5
91.01420	1.8
93.03332	2.8
96.95872	12.1
99.92481	2.0
101.02346	4.7
102.30488	1.9
102.55820	1.9
109.06500	2.5
111.00841	1.7
113.02338	4.1
116.92739	14.3
125.02344	1.9
125.95113	1.9
133.01544	1.7
142.27734	2.0
150.04121	2.7
153.09134	1.9
161.04506	3.4
161.98192	1.9
163.11201	3.2
165.12738	1.9
171.10117	11.7
173.04507	3.0
185.11748	2.8
191.05569	7.4
191.10611	2.5
197.11792	5.7
199.09720	3.0
201.11261	5.6
207.10252	4.4
209.11768	100.0
210.12079	7.6
211.13208	1.8
217.53314	1.9
225.11198	3.5
227.12790	22.8
235.08252	6.8
236.72372	1.8
253.09232	14.9
271.02505	2.2
277.87762	2.0
289.18045	9.8
299.01764	2.5
307.19156	39.1
325.20132	17.5
327.21561	3.1
343.24939	3.9
354.49734	2.0
378.18365	2.0
394.07904	2.2
407.13663	1.7
445.20721	5.5
525.26746	2.6
543.28009	13.9
684.33337	2.5
735.39661	9.2
736.40491	3.2
753.40399	10.9
771.41876	4.3
807.39716	32.9
808.39722	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	807.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	12.4
61.98679	3.0
63.02261	1.0
65.00191	1.5
71.01234	3.4
71.04852	0.8
71.57727	1.0
71.58170	1.3
72.99155	1.7
73.02818	1.1
79.95589	1.8
83.01231	1.8
85.02805	2.5
87.00717	1.1
89.02313	1.6
92.77511	0.8
93.03336	50.6
94.03651	1.1
96.95887	43.2
98.95448	1.3
101.02290	1.9
107.01247	3.6
108.02052	1.6
109.02811	3.8
115.00228	1.0
116.92702	1.0
119.04854	1.2
121.02797	2.0
132.02872	1.7
133.02786	1.0
135.04387	1.6
136.01486	3.4
137.02339	100.0
137.09613	0.9
138.02643	3.5
146.03589	1.5
149.02315	1.9
150.03052	1.1
150.99152	0.9
151.00275	9.6
151.03862	3.9
155.10616	2.2
159.04378	1.6
163.00363	1.3
165.05403	2.0
169.01335	1.1
173.04401	1.8
178.02513	0.9
178.99741	5.6
191.05486	6.6
195.06483	1.2
199.09593	1.4
207.10081	1.0
209.11726	3.0
226.02641	1.5
227.03465	1.5
227.12729	2.8
243.03003	7.7
254.02165	1.2
255.02968	18.4
256.03195	1.5
267.06470	3.1
268.07330	2.1
271.02472	35.7
272.02811	3.5
283.02347	2.1
287.09552	1.2
299.01834	3.5
300.02747	53.6
301.03439	20.3
302.03711	1.2
327.12299	1.6
345.12930	0.9
357.13324	2.2
393.35150	0.9
418.57367	0.8
536.59979	0.9
571.18134	1.2
633.21167	1.8
662.65564	1.0
708.10687	1.1
771.25000	12.8
772.24689	1.9
807.23059	28.4
808.23285	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	805.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38861	1.4
59.01248	29.6
60.01508	1.2
62.28465	1.4
67.65530	1.3
71.01249	5.4
73.02808	3.9
76.29233	1.4
79.95599	1.6
85.02821	11.9
86.46976	1.4
87.00745	2.9
89.02313	1.9
93.03332	8.2
93.22272	1.6
96.95884	42.8
98.41157	1.5
98.95493	1.3
101.02340	3.6
109.02816	3.2
113.02322	2.8
119.04984	1.7
121.02816	5.9
122.03622	14.1
133.02847	3.3
134.03603	2.4
135.04420	6.9
136.01468	1.6
137.02301	3.7
145.02844	1.9
147.04427	2.4
149.02350	29.2
150.03127	90.7
151.00250	3.2
151.03691	4.0
159.04326	1.6
161.05882	1.4
162.03145	4.9
162.99391	1.6
163.03923	3.1
164.04698	6.2
165.05484	100.0
166.05794	3.3
173.04417	4.1
175.03865	1.8
177.05473	5.8
179.03404	2.7
180.04201	6.9
191.01906	3.4
191.05536	46.9
192.05843	2.8
195.06554	51.9
207.05045	2.5
224.90636	1.7
261.46234	1.3
267.06622	1.7
268.07321	2.0
274.80222	1.5
281.05765	1.7
283.09811	3.3
287.09464	1.9
289.11157	8.1
296.06741	1.9
297.07999	1.6
309.07690	3.1
312.06494	2.7
323.09210	3.8
324.09839	2.5
325.10834	3.6
326.11469	3.8
327.08646	6.1
338.11444	3.1
339.08658	13.0
339.12430	3.4
340.09052	1.9
341.13895	4.1
342.10962	7.6
354.11078	4.4
357.08939	1.8
357.13428	27.7
358.13782	2.5
361.16354	2.3
369.13373	27.1
370.13702	3.2
472.15366	2.3
505.18726	5.6
535.19684	50.0
536.19879	4.1
544.91547	1.8
583.21802	76.6
584.22156	11.9
787.23041	1.7
805.26361	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	805.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.00986	0.5
59.01252	6.9
61.98701	0.3
67.01761	0.7
69.37746	2.4
71.01249	3.2
72.99182	0.4
73.02808	0.5
79.05418	0.4
80.96362	0.3
83.01287	0.3
85.02827	1.9
87.00732	0.9
87.30742	0.3
89.02308	3.2
93.03336	1.4
95.04935	0.4
96.95889	17.5
98.93241	0.3
98.95466	1.3
98.96174	0.3
101.02338	2.4
104.04950	0.9
105.07088	0.3
106.06548	0.4
107.03609	0.3
108.02164	0.3
108.04432	0.7
109.02814	0.4
111.00743	0.4
111.04398	0.5
113.02316	1.3
119.03386	1.3
119.04948	0.4
120.04446	2.6
121.05228	2.2
122.06006	6.3
125.02287	0.4
132.04449	21.7
133.04822	0.6
133.67346	0.3
134.06010	5.6
135.04425	0.9
135.06775	1.2
136.07581	11.3
137.02354	1.1
142.44531	0.3
144.04424	1.8
146.05933	0.4
148.07623	0.3
150.03102	0.7
151.00302	0.6
152.07091	0.9
161.02332	0.3
161.07120	0.9
162.05498	3.0
165.05450	0.6
171.10233	0.7
171.11684	1.7
172.07568	0.6
173.04437	0.7
175.02400	0.4
176.03442	17.3
177.03711	0.7
184.07603	0.4
186.09155	0.8
188.03468	2.3
189.05463	0.4
189.10280	0.6
191.01904	0.5
191.05539	6.4
192.05919	0.4
195.06561	0.3
198.09233	2.5
199.09895	1.9
204.90193	0.4
207.05086	0.5
212.10744	0.4
214.07454	0.5
214.12318	12.1
215.12604	0.9
225.06703	0.5
226.07468	0.6
227.08205	2.4
228.08992	0.9
229.09810	6.0
230.09883	0.5
230.11839	4.3
239.11858	0.5
240.10178	0.4
241.09781	8.8
241.12100	0.6
242.10571	15.8
243.10892	1.0
255.11411	0.8
256.12115	0.8
257.12930	84.2
258.13254	5.2
268.07578	0.4
279.11331	2.5
280.11682	0.4
280.79742	0.3
283.10889	2.2
287.09650	2.0
289.11218	0.4
300.11041	0.5
301.11923	100.0
302.12271	7.2
314.12439	1.0
323.10272	0.9
389.38303	0.3
439.13983	0.5
459.17719	5.4
460.18323	0.8
503.16705	36.4
504.17126	3.9
533.60938	0.3
535.18787	0.4
583.20972	0.5
689.28143	0.7
717.31799	0.7
732.73199	0.3
761.30450	4.8
762.30725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.7
59.01249	3.8
61.89876	0.7
61.98696	1.8
69.56704	4.5
71.01255	3.4
71.04868	0.9
78.95774	0.7
78.98474	0.7
79.95611	1.7
80.96391	8.7
83.04860	0.7
94.97955	1.6
95.04871	0.8
101.02312	0.8
101.53668	0.7
106.97961	0.8
109.06477	0.8
111.08038	8.7
121.02846	0.9
125.02326	0.7
127.00020	1.6
139.11162	0.5
148.99048	0.8
164.98550	1.3
167.10631	2.0
171.10146	2.1
172.93317	0.5
177.12752	1.9
179.10652	1.3
195.13812	6.4
195.77737	0.6
203.14230	0.6
207.10362	0.7
209.11801	1.5
221.81741	0.6
225.00652	3.2
247.20612	2.2
253.09149	1.2
253.21642	0.9
273.18546	1.2
277.21701	6.7
288.46698	0.6
291.19650	100.0
292.19998	7.2
308.61389	0.6
370.89807	0.6
391.49878	0.5
397.13437	0.7
805.39996	8.5
806.40802	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30818	0.1
57.03319	0.4
59.01245	2.8
61.98704	0.3
69.03326	0.2
71.01251	3.2
72.99162	0.2
73.02813	0.3
76.08604	0.1
78.95751	0.1
79.95606	0.1
80.96392	0.5
83.01257	0.2
84.98692	0.1
85.02816	0.6
85.06467	0.1
87.00768	0.6
89.02309	2.1
95.01258	0.2
95.04910	0.3
97.06497	0.1
99.00819	0.1
101.02318	2.5
102.03115	0.2
111.08017	0.4
113.02311	1.4
113.09592	0.4
115.03747	0.1
116.27776	0.1
119.03412	0.6
141.09081	0.3
143.03409	0.3
161.04460	1.5
164.98560	0.1
167.10696	0.4
169.12280	0.1
171.10136	0.2
172.72990	0.1
177.12851	0.2
179.05528	0.4
179.10683	0.1
179.14323	0.7
181.12265	0.2
195.13831	8.1
196.14349	0.8
205.12248	0.7
205.15846	0.6
211.13322	0.6
223.13341	5.7
224.13884	0.3
225.14857	0.3
228.13600	0.8
231.21106	0.4
235.08240	0.7
253.09256	16.3
254.09589	0.6
256.13086	1.2
265.21674	0.4
275.20151	5.7
276.20483	0.4
291.19806	0.1
293.21207	100.0
294.21539	8.6
492.22055	0.6
529.30170	0.8
530.31415	0.1
569.41992	1.3
570.42383	0.2
805.41022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.7
61.98698	0.7
69.24345	1.3
71.01254	0.5
73.02810	0.2
78.95779	1.3
79.95605	3.3
83.04921	0.1
85.02815	0.3
87.00726	0.3
89.02312	0.3
93.03307	0.1
94.92338	0.1
96.95888	100.0
97.95812	0.3
98.02338	0.2
98.95455	0.1
101.02320	0.3
109.06461	0.1
113.02307	0.1
150.06790	0.1
171.10217	0.2
177.08955	0.1
191.05568	0.6
195.10191	0.4
209.11751	1.6
227.12787	0.2
299.02103	0.1
397.13504	0.2
415.15024	0.1
483.15079	0.1
539.34882	0.1
803.44647	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	803.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	35.4
61.98689	9.7
65.26748	2.9
71.01262	27.4
71.57072	3.5
71.57484	4.1
73.02815	6.1
78.95763	4.3
82.95250	5.5
83.01262	7.7
83.04884	9.3
84.02009	3.6
85.02819	8.3
87.00721	9.1
89.02327	8.0
93.03325	6.6
95.04921	3.2
96.95885	75.3
97.06507	3.8
98.95464	4.9
99.00777	4.7
101.02335	9.8
109.06468	3.7
113.02324	4.5
119.04962	3.6
125.02340	3.3
125.09599	9.4
127.07495	5.3
133.02866	3.3
135.08038	4.0
146.11699	2.9
153.09074	9.2
161.04399	4.3
163.11145	7.1
165.08937	3.1
165.12688	3.5
169.12262	5.4
171.10149	39.3
173.04457	5.7
181.12305	5.9
183.13747	3.2
191.05540	21.0
197.11711	6.9
199.09659	4.5
199.13358	4.6
201.11171	5.8
207.10165	12.3
209.11765	100.0
210.12071	8.4
211.13364	31.7
225.11301	16.4
225.14885	4.9
227.12820	11.8
235.08188	6.7
237.14946	3.6
243.12270	4.9
253.09174	13.7
289.18002	8.8
307.19104	25.6
325.20212	17.9
330.23511	3.3
341.23361	18.3
379.12756	3.4
397.13541	6.1
408.19559	3.2
543.28644	7.9
613.34918	4.2
643.16949	3.8
752.35590	3.5
761.06909	4.2
803.45215	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	805.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38861	1.4
59.01248	29.6
60.01508	1.2
62.28465	1.4
67.65530	1.3
71.01249	5.4
73.02808	3.9
76.29233	1.4
79.95599	1.6
85.02821	11.9
86.46976	1.4
87.00745	2.9
89.02313	1.9
93.03332	8.2
93.22272	1.6
96.95884	42.8
98.41157	1.5
98.95493	1.3
101.02340	3.6
109.02816	3.2
113.02322	2.8
119.04984	1.7
121.02816	5.9
122.03622	14.1
133.02847	3.3
134.03603	2.4
135.04420	6.9
136.01468	1.6
137.02301	3.7
145.02844	1.9
147.04427	2.4
149.02350	29.2
150.03127	90.7
151.00250	3.2
151.03691	4.0
159.04326	1.6
161.05882	1.4
162.03145	4.9
162.99391	1.6
163.03923	3.1
164.04698	6.2
165.05484	100.0
166.05794	3.3
173.04417	4.1
175.03865	1.8
177.05473	5.8
179.03404	2.7
180.04201	6.9
191.01906	3.4
191.05536	46.9
192.05843	2.8
195.06554	51.9
207.05045	2.5
224.90636	1.7
261.46234	1.3
267.06622	1.7
268.07321	2.0
274.80222	1.5
281.05765	1.7
283.09811	3.3
287.09464	1.9
289.11157	8.1
296.06741	1.9
297.07999	1.6
309.07690	3.1
312.06494	2.7
323.09210	3.8
324.09839	2.5
325.10834	3.6
326.11469	3.8
327.08646	6.1
338.11444	3.1
339.08658	13.0
339.12430	3.4
340.09052	1.9
341.13895	4.1
342.10962	7.6
354.11078	4.4
357.08939	1.8
357.13428	27.7
358.13782	2.5
361.16354	2.3
369.13373	27.1
370.13702	3.2
472.15366	2.3
505.18726	5.6
535.19684	50.0
536.19879	4.1
544.91547	1.8
583.21802	76.6
584.22156	11.9
787.23041	1.7
805.26361	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	799.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.3
58.00449	1.9
59.00986	2.6
59.01253	33.0
61.98694	3.6
64.80968	2.2
69.03320	2.9
71.01252	100.0
72.99167	2.2
73.02814	4.8
78.95786	2.4
81.03326	5.2
83.01243	2.4
83.04903	4.3
85.02830	6.4
87.00752	7.8
89.02310	21.1
93.03340	3.8
95.04913	1.8
96.95895	19.6
97.02830	7.4
97.06470	3.3
99.00732	4.6
101.02322	23.6
109.06465	26.3
110.03626	2.3
113.02338	13.0
117.37410	1.7
119.03380	5.6
121.02824	2.5
121.06491	3.4
124.73981	1.7
125.02322	6.5
125.09577	2.8
133.53485	1.7
135.08046	2.0
136.05228	2.2
141.01791	3.0
142.02655	2.0
143.03421	4.8
161.04410	3.6
163.11191	16.2
171.10225	12.1
173.04390	1.7
179.05528	7.1
181.12250	5.8
191.05467	6.8
197.11823	1.9
199.09621	3.6
201.11243	10.0
207.10214	74.6
207.12183	3.9
208.10533	4.3
209.11682	12.1
221.06563	2.6
225.11273	56.8
235.08139	6.6
243.12366	4.5
253.09209	4.2
397.13443	28.6
408.10364	1.7
415.14554	18.8
419.24435	2.1
571.78448	2.2
623.25580	34.1
624.26196	9.1
641.26709	2.3
650.62366	1.9
781.36151	3.5
799.36346	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	799.4216
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
57.03320	0.6
59.01264	0.9
61.98699	1.3
63.96086	0.8
69.03329	0.7
70.92554	1.6
71.01242	5.8
73.02817	1.6
75.00720	0.7
78.95772	52.7
78.98447	4.9
79.95605	10.7
80.96389	53.6
81.03340	1.6
83.04877	2.2
84.02080	0.8
85.02792	1.8
87.00734	1.7
94.97956	12.3
96.95918	1.0
96.96828	12.7
97.02808	1.0
98.13526	0.7
101.02328	1.6
106.97959	2.9
122.97443	2.0
125.02316	2.2
125.09580	2.0
127.03883	0.9
127.11155	3.8
133.77495	0.7
134.97525	3.9
136.99039	1.0
148.99039	4.6
152.98479	2.5
152.99480	10.8
155.10657	1.2
161.33209	0.7
163.11198	1.8
164.98528	6.9
165.09128	1.9
165.12746	1.5
171.10190	2.3
199.09686	1.0
201.11250	37.5
202.11488	1.7
206.99646	2.5
209.11771	30.1
210.12189	1.6
223.00070	3.4
225.00703	15.2
227.12846	3.3
241.01135	23.9
245.13953	0.9
255.23245	27.4
256.23633	1.7
259.02133	2.2
277.21759	1.4
297.03842	0.9
350.26355	0.7
381.12958	1.0
391.22397	1.3
391.68936	0.7
525.16730	0.9
537.26971	1.1
543.18225	0.9
553.27710	1.2
706.75159	0.8
709.38190	16.3
710.38312	2.6
749.72137	0.9
781.40637	15.7
782.40863	2.2
799.42102	100.0
800.42566	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	800.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09554	0.1
59.01247	0.9
61.98702	100.0
63.09412	0.2
71.01248	0.5
72.50392	0.2
78.95790	0.3
83.04900	0.2
85.02845	0.3
87.00772	0.2
92.92647	0.2
93.03339	0.5
96.95899	1.8
101.02328	0.6
107.01358	0.2
109.06503	0.2
113.02315	0.2
113.13322	0.1
133.02827	0.2
135.04468	0.2
137.02357	0.2
165.17757	0.2
171.10231	0.4
173.04495	0.4
177.01939	0.2
178.02686	0.2
191.05534	0.7
209.11836	0.6
213.89590	0.2
219.89354	0.2
241.10118	0.2
264.96454	0.2
285.46741	0.2
310.08652	0.2
327.22092	0.2
525.43842	0.2
533.38391	0.2
677.24225	0.2
775.99603	0.2
782.37488	0.2
801.37842	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	801.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.0
58.00460	1.5
59.01249	100.0
61.98695	6.8
69.03324	1.5
69.24293	3.0
69.24711	5.8
71.01254	32.4
72.99163	2.3
73.02818	6.4
73.31227	0.8
74.06241	0.8
75.00733	0.9
78.95783	1.6
79.95586	1.4
80.96403	1.1
81.03336	1.9
83.01259	3.9
83.04879	2.4
85.02820	17.5
87.00735	3.3
87.61408	0.8
89.02307	12.1
89.39336	0.9
92.92733	1.0
93.03337	2.1
94.97943	0.9
95.01261	3.7
96.95884	54.7
97.02814	3.0
98.20549	1.7
99.00784	4.2
101.02319	16.5
109.02817	1.1
109.06442	0.8
111.00755	1.1
111.04366	1.8
113.02325	22.2
115.03887	0.8
116.92729	1.3
119.03373	4.3
124.01557	3.8
125.02354	7.3
125.09640	1.6
127.03925	2.2
135.04387	1.4
143.03377	4.3
147.52379	0.8
155.03374	0.9
161.04482	4.5
163.11182	1.3
164.18982	0.9
171.10136	6.0
173.04488	2.8
179.05545	2.1
191.05530	7.4
197.11777	3.0
201.11183	1.6
207.10202	2.9
209.11768	13.6
210.12123	1.3
211.13315	5.7
225.11261	1.7
227.12831	1.6
233.15327	1.6
235.08150	1.7
253.09285	2.8
265.07541	0.9
270.51190	0.9
287.16525	0.9
305.17627	1.1
313.30237	1.0
341.23288	3.7
397.13260	1.7
449.29071	1.7
467.30017	2.1
471.15076	1.2
570.18610	0.8
575.32129	0.9
593.33295	11.9
594.33911	1.7
611.34296	49.6
612.34711	8.6
629.35400	15.4
630.35858	2.4
653.35443	4.9
654.36047	1.2
671.36462	12.7
672.36658	1.2
725.27582	1.6
783.37592	4.0
801.43109	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	801.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95761	0.5
57.03324	0.8
59.01246	2.0
59.33566	0.5
61.98700	9.1
63.96105	2.1
65.24143	0.4
65.54847	0.5
66.10355	0.5
69.03311	1.0
70.09243	2.2
71.01251	11.9
73.02813	2.9
73.97002	0.5
73.97448	0.4
78.95766	1.2
78.98461	7.7
79.95607	16.2
80.96391	92.7
81.03327	1.4
83.01243	1.0
83.04906	0.7
85.02830	4.0
87.00733	3.8
93.03341	0.7
94.97958	19.6
94.98574	1.1
95.65644	0.5
95.81718	0.5
96.95913	5.1
97.02825	2.0
98.24843	0.5
99.00755	0.9
101.02306	4.5
106.97974	3.6
113.02349	0.8
122.97456	3.4
125.02348	4.1
127.03924	1.5
134.97484	6.5
135.04427	0.5
136.99030	1.6
137.09564	0.5
148.99051	8.6
152.98535	7.5
155.10683	2.0
163.11183	0.6
164.98538	14.8
186.35141	0.5
191.05484	2.6
199.09834	0.6
206.99583	3.0
207.65833	0.6
209.11772	8.1
210.12115	1.9
225.00685	25.3
226.01135	1.0
265.56674	0.6
283.04959	0.6
292.11145	0.5
436.17285	0.6
541.19452	3.9
567.99377	0.6
757.36505	2.0
769.33044	1.2
770.34277	0.7
801.35791	100.0
802.36145	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	23.3
64.52931	1.7
69.24664	1.9
69.44112	15.6
71.01251	16.5
72.99163	2.7
73.02814	6.9
83.01260	2.3
83.04917	2.5
85.02840	9.5
87.00742	7.3
88.98676	8.5
89.02322	5.3
93.03342	24.2
95.04937	2.9
96.95898	21.4
97.06496	2.5
98.19732	3.5
99.00767	1.9
101.02327	6.9
103.02455	1.9
105.03315	5.7
107.04865	4.0
108.02039	4.6
109.02837	6.1
111.00811	2.9
111.04387	6.8
113.02322	3.0
115.00253	5.9
116.56508	2.0
119.04965	3.1
121.02843	5.4
122.02390	2.4
122.03642	2.2
123.04421	4.6
124.01507	4.2
128.55779	1.8
133.02846	49.5
134.03667	20.5
135.04430	17.2
137.02313	12.0
137.17372	1.9
146.03613	3.3
147.04488	9.7
148.05202	7.9
149.06009	3.4
150.03091	1.8
151.03911	3.5
153.01834	2.1
155.03352	4.5
160.05142	2.2
161.02299	3.6
161.05977	4.9
161.09634	3.6
162.10071	1.8
163.04062	2.5
165.01770	2.3
173.04485	22.7
173.05913	2.3
177.01863	20.9
178.02632	17.0
179.03395	6.3
184.00049	1.8
184.93672	1.8
187.11186	3.7
191.05544	40.7
192.05870	2.1
193.04988	4.5
205.12186	3.4
209.11801	3.6
211.07570	2.0
211.13290	2.7
213.05649	2.7
215.05489	2.0
231.10277	2.4
241.04913	11.2
256.07388	9.3
265.04831	3.2
267.06650	2.7
268.07388	7.1
269.08163	12.3
270.08670	2.1
271.09683	9.6
282.09073	3.4
283.09766	8.9
284.10538	20.9
293.04639	2.0
297.11334	6.7
299.12894	8.0
310.08658	2.4
327.16049	2.7
336.02548	2.3
337.03516	8.0
351.07196	4.7
387.10788	2.4
433.08807	4.0
504.15335	1.9
549.16382	2.7
581.25854	4.4
607.23724	3.7
625.24878	13.1
702.13879	2.0
798.48279	2.6
799.28699	100.0
800.29108	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	793.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68430	0.1
59.01253	1.1
61.98689	0.6
68.57613	0.2
70.86533	0.2
70.86892	0.3
71.01251	0.3
72.99191	0.1
73.02819	3.0
75.00758	1.1
78.77100	0.1
83.54054	0.1
87.00786	0.2
89.02304	0.2
92.92788	0.4
99.00751	1.4
99.92458	10.0
100.92477	0.5
100.93207	0.2
101.02365	0.2
108.92281	0.2
114.93273	0.6
116.03433	0.3
116.92746	100.0
116.97128	6.9
117.01823	4.8
117.05462	0.6
117.92756	4.7
141.01631	0.2
207.10123	0.2
227.12981	0.2
275.12064	0.1
277.21704	0.2
293.21274	0.2
295.22757	0.2
335.17615	0.6
379.00882	0.2
397.13910	0.3
455.05139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80192	0.2
79.95600	1.7
88.95348	0.1
93.03307	0.2
96.95886	100.0
97.95823	0.4
98.95479	1.2
98.96073	0.2
98.96280	0.1
121.70216	0.1
160.74573	0.1
165.38510	0.1
175.28860	0.2
191.05540	1.6
192.05943	0.2
206.64584	0.2
229.31274	0.2
280.39233	0.2
303.09106	0.5
305.10626	63.1
306.10965	4.4
307.10571	0.7
362.72693	0.2
401.89178	0.2
434.39975	0.2
728.00317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.2
60.99177	16.0
61.98703	0.5
70.45175	1.0
71.01257	4.8
72.99178	0.8
73.02815	0.4
78.95790	0.9
80.82386	0.3
83.01250	0.3
85.02816	0.7
87.00755	2.7
88.00275	2.7
88.01099	0.3
88.98678	100.0
89.02316	8.0
89.99027	1.0
93.03352	0.6
96.95879	2.2
98.95491	0.4
99.00726	0.6
101.02342	1.0
105.01766	0.4
109.06465	0.3
113.02323	0.4
135.04416	0.4
137.02307	0.3
159.04390	0.4
171.10175	2.5
173.04433	0.7
179.03464	0.5
191.05540	1.6
201.11238	0.7
207.10223	0.9
209.11761	5.9
209.13516	0.5
210.12119	0.5
225.11293	1.1
227.12968	0.7
253.09227	0.5
281.04739	0.5
397.13385	0.5
505.28699	0.3
727.26282	0.4
770.60718	0.3
795.36536	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	799.247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76051	0.2
59.01251	18.6
69.33556	2.2
92.04929	0.3
96.95889	0.9
103.00234	1.1
103.20354	0.2
104.04942	2.0
105.85707	0.2
106.06503	4.4
107.06851	0.3
115.79266	0.2
122.06006	1.1
130.06505	0.8
132.94931	0.3
133.02853	0.8
134.06015	40.4
135.04497	0.3
135.06367	1.4
148.03949	28.3
149.04262	0.7
152.07062	1.5
160.03951	16.9
161.04732	2.4
162.05495	0.5
172.04018	0.3
173.04570	0.5
174.05516	14.3
175.02650	0.2
175.05850	0.6
177.01845	0.3
178.02652	0.3
188.89357	0.2
191.05519	0.7
193.03665	1.1
193.07655	0.3
223.12328	0.8
237.06654	2.0
251.08234	2.0
251.11932	0.5
252.09007	1.0
265.06158	1.3
265.09692	0.4
266.10629	0.3
267.11368	19.5
268.11578	1.1
279.07721	1.1
280.08514	1.7
281.08749	0.3
285.04190	0.3
285.12650	0.3
289.11118	0.3
293.09372	0.2
294.10092	0.6
295.10855	96.7
296.11200	7.0
313.11911	2.3
314.12399	0.3
355.12961	100.0
356.13287	7.9
396.91776	0.2
656.77454	0.2
799.30042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90543	0.2
59.01252	0.3
59.26982	0.2
65.51418	0.2
70.92566	0.5
79.95603	1.4
96.95887	100.0
97.95818	0.4
98.95459	0.4
125.82098	0.2
141.71815	0.2
151.26053	0.3
158.65508	0.2
174.94543	0.2
191.05540	0.3
271.02594	0.2
305.10626	68.8
306.10965	5.1
399.16113	0.3
634.25726	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	791.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	9.1
61.98701	9.6
70.80426	16.1
70.80762	12.5
78.95752	10.6
79.95600	8.0
80.96385	14.1
96.95876	8.1
152.99503	15.8
200.80916	7.8
209.11789	100.0
227.12845	18.6
242.63326	9.0
253.09233	14.2
254.31953	7.8
277.21689	84.0
320.57440	9.6
328.45221	9.8
347.89163	8.5
431.53082	8.7
685.47870	9.0
791.43359	33.9
792.41528	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	793.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.9
65.00210	0.7
71.01236	0.4
71.57597	0.6
79.95597	0.5
83.01250	0.9
87.00719	0.7
93.03346	0.6
96.95889	16.4
99.02673	0.4
99.37212	0.4
107.01265	1.8
108.02054	0.8
109.02854	0.8
110.48671	0.4
114.93279	2.2
115.00232	0.6
116.92764	0.5
121.02827	1.0
124.90532	0.4
130.44020	0.4
148.01570	0.9
151.00266	6.0
155.10692	0.5
161.02364	0.4
163.00247	1.7
164.01042	0.5
178.99792	2.3
180.33969	0.4
187.03925	0.4
191.05545	1.2
209.11746	1.2
211.04047	0.6
225.14905	0.7
226.02701	0.7
226.12012	0.3
227.03429	2.1
227.12825	4.1
243.02963	6.9
244.03294	0.8
245.04620	0.5
254.02219	1.4
255.02959	17.1
256.03348	1.1
269.13867	0.8
271.02472	36.9
271.81207	0.4
272.02951	3.8
283.02417	0.6
287.09882	4.5
287.14969	26.4
288.15186	1.9
289.11444	0.4
299.01920	0.6
300.02737	74.0
301.03415	19.6
301.06934	0.8
302.03821	0.9
358.60208	0.4
444.45236	0.4
449.90533	0.4
453.83664	0.4
463.08957	2.1
475.09454	0.4
505.09860	100.0
506.10223	12.8
573.38855	0.4
655.24585	1.1
673.25232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.2
59.01258	1.3
60.91350	0.2
61.98700	0.5
65.89789	0.2
71.01250	0.6
73.02818	3.3
74.02304	0.3
75.00742	1.9
81.03210	0.2
87.00755	0.3
89.02327	0.2
90.93243	0.2
91.92035	0.2
92.92767	0.4
94.45586	0.2
99.00739	2.3
99.92456	10.1
100.92476	0.4
100.93279	0.2
108.92282	0.2
114.93339	0.6
115.00248	0.2
115.03864	0.2
116.03429	0.6
116.92741	100.0
116.97112	3.6
117.01814	7.6
117.02752	0.2
117.05444	0.6
117.42027	0.2
117.92747	3.8
148.99066	0.2
171.10278	0.2
201.11217	0.2
229.61325	0.2
235.08142	0.2
253.09366	0.3
277.21768	0.5
293.21298	0.5
335.17731	0.5
397.13403	0.5
415.14597	0.2
455.04953	0.8
699.47144	0.2
733.27924	0.2
792.38287	0.2
793.39740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
58.86819	0.5
59.01252	5.7
61.98664	0.7
63.02278	2.4
65.00194	2.3
69.03327	0.6
71.01249	4.2
71.58441	0.7
73.02823	3.2
78.95811	0.6
83.01244	3.2
83.04930	0.7
85.02831	2.4
87.00752	1.8
87.04401	1.3
89.02306	1.7
93.03356	3.3
95.01266	1.3
96.95885	8.6
101.02324	2.8
107.01270	5.4
109.02833	1.6
111.04397	0.7
113.02320	2.3
116.92751	1.0
117.03381	1.0
123.04411	0.7
125.02328	0.8
132.02078	1.4
133.02852	1.0
134.03577	1.0
135.00746	1.4
135.04408	2.7
135.08022	0.7
136.01546	1.7
137.02312	1.0
137.09624	2.8
143.04936	1.0
145.02907	0.8
151.00275	10.6
151.03902	1.7
155.10667	12.9
157.06522	1.2
157.08569	3.1
159.04425	1.5
161.02318	1.2
161.04433	0.7
162.03084	0.7
163.00264	2.4
164.01045	1.1
167.04988	1.0
169.01389	3.0
169.06567	0.7
171.04379	1.1
171.10124	1.3
173.04457	2.7
173.05850	0.7
178.99782	2.0
179.03389	0.8
181.08698	0.7
183.04434	1.9
185.05942	2.8
187.03944	3.0
189.05493	1.2
191.03914	0.6
191.05499	3.4
197.06044	1.3
199.03879	1.4
199.09666	4.3
201.05588	0.8
201.11256	5.0
209.11752	2.9
211.03970	3.8
213.05528	2.5
227.03445	46.1
228.03886	2.4
229.05002	8.5
239.03447	2.2
240.04123	0.8
241.05025	2.6
241.10747	0.8
243.03108	1.0
255.02960	79.6
256.03583	9.2
257.04547	8.6
258.04755	0.8
269.04373	0.6
275.09274	1.9
283.02390	3.7
284.03250	92.2
285.03998	100.0
286.04419	6.8
299.05542	0.7
300.02716	1.0
301.03345	1.2
353.70389	0.7
397.13431	1.5
403.15991	2.8
429.08444	0.8
447.09229	2.0
449.14557	1.1
463.08972	0.9
505.19366	8.9
506.19464	1.1
629.18768	2.0
791.23932	65.8
792.24139	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	791.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.9
70.91711	0.2
70.92017	0.3
73.02786	0.1
73.18180	0.2
79.95586	1.3
83.92815	0.2
85.02824	0.3
90.21124	0.2
93.03325	0.3
96.95884	100.0
97.95816	0.4
99.90511	0.2
109.02833	0.3
109.26454	0.2
135.04358	0.4
143.04932	0.2
160.37619	0.2
173.04427	0.6
176.27878	0.2
191.04030	0.2
191.05428	1.0
227.12807	0.2
253.08667	0.5
257.08185	0.2
275.09424	0.2
287.14874	0.4
303.09052	67.6
304.09372	3.9
321.10025	0.3
357.09705	0.4
449.14673	0.3
449.20438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	18.1
61.98709	31.1
66.29303	6.7
71.01247	32.0
72.75464	5.4
78.95773	15.3
84.45632	6.0
87.00729	6.5
88.98679	12.6
89.02303	7.2
96.95884	13.2
121.06521	7.0
125.09557	8.6
143.33003	6.1
163.11232	9.6
171.10165	22.2
191.05545	9.6
197.11786	7.8
202.59247	6.1
207.10167	26.9
209.11761	100.0
211.13260	8.9
225.11269	27.0
227.12808	19.5
253.09189	23.1
289.18088	22.1
291.19598	19.8
307.19141	17.6
309.20627	18.1
311.22177	12.2
327.21915	12.8
404.72238	7.2
461.20288	11.3
753.40857	13.1
789.38080	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	789.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49460	1.3
57.03320	3.1
59.01249	100.0
61.98698	3.7
65.00172	1.8
69.03313	2.1
71.01253	17.2
72.99185	1.9
73.02824	17.4
75.00765	1.4
79.95618	1.5
80.96396	4.4
82.15030	1.5
83.01260	20.4
83.04867	1.7
83.39977	1.8
85.02348	1.4
85.02821	6.2
87.00736	2.1
89.02343	2.7
91.03502	1.8
93.03329	6.6
96.95877	20.4
97.06448	2.4
99.04369	2.4
101.02319	12.5
109.02850	9.0
109.31772	1.5
110.03103	1.6
111.00763	2.1
111.04414	2.5
113.02327	4.0
113.17678	1.4
119.04930	2.3
121.02853	4.0
121.64278	1.4
123.04398	1.4
125.02347	3.4
133.02888	5.0
135.04410	6.7
137.02354	3.1
137.05939	2.0
143.03398	1.8
145.02963	3.0
146.03650	5.5
147.04434	2.1
151.00262	2.2
151.07507	1.4
159.04430	5.6
161.02336	2.8
161.04420	2.4
162.03040	3.7
163.03545	1.7
164.04581	1.6
165.05499	2.2
167.10703	4.4
173.04459	3.6
175.03947	5.1
177.05463	3.7
178.99701	1.7
179.03389	1.9
185.02284	1.4
191.05550	24.8
207.13805	2.1
209.11751	11.0
222.05209	2.9
225.14842	10.5
227.12836	50.2
228.13220	2.2
229.01381	3.4
233.11826	4.6
239.07280	2.5
251.12854	3.5
253.08714	3.6
263.07132	3.0
267.06555	11.8
268.07501	7.0
269.08215	6.9
269.13992	9.1
279.06650	6.6
280.07230	1.9
281.08170	8.9
282.08871	1.7
283.09695	2.1
287.15042	21.3
288.15503	1.8
291.06671	2.6
293.04730	2.0
293.08032	3.0
294.05460	1.9
294.08997	4.5
295.09561	2.6
296.10495	2.1
297.07684	19.7
297.10886	1.7
298.07840	1.9
308.10620	3.3
308.31192	1.6
309.07742	34.1
309.11386	7.0
310.08075	4.6
312.10001	17.2
313.10443	3.6
323.09393	7.9
324.10019	17.7
325.10724	3.0
327.12384	55.9
328.12753	6.1
339.05270	4.6
339.12354	43.6
340.12558	3.3
351.07169	2.2
357.13586	1.9
361.16519	1.9
371.16898	2.4
409.12924	3.3
431.19254	14.6
435.10800	2.3
461.42758	1.8
474.12177	1.7
500.09967	2.1
571.17810	2.1
597.16412	6.9
627.17004	2.0
771.32306	3.9
789.33765	66.4
790.33752	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	789.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54735	2.4
59.01250	8.1
61.98702	28.5
65.49912	2.6
68.55902	2.6
68.65770	2.8
68.99440	72.7
69.03338	13.6
71.01247	62.5
71.56680	3.2
72.86636	3.0
72.99194	4.7
74.95252	9.4
77.94542	2.8
78.52334	2.9
80.96397	3.3
85.02841	4.1
87.00752	5.2
87.92396	19.6
89.02319	5.3
90.94761	5.9
97.02825	5.1
99.00764	8.7
103.91899	77.9
104.92685	67.9
104.97593	2.7
106.94258	12.3
109.06458	3.9
111.00766	5.0
112.98435	82.1
112.99719	18.0
113.02328	34.1
113.03453	6.3
114.33239	3.4
114.94765	55.0
117.73083	2.8
118.94246	3.6
120.41563	2.8
123.94517	9.9
128.96378	2.8
130.94243	22.9
140.96323	10.9
142.94252	18.6
144.95868	6.8
145.56914	2.6
156.95837	13.4
158.93790	22.1
160.95419	4.1
163.11214	3.7
168.95844	7.6
170.97385	7.7
171.10161	8.3
171.94576	14.4
172.95316	35.3
184.95335	37.2
186.96835	3.6
197.11786	4.2
198.96925	13.9
199.94090	8.1
200.94841	10.4
207.10229	15.8
209.11858	16.6
212.94890	4.2
214.68684	3.4
214.96414	5.2
225.11224	9.3
226.96469	5.1
227.12807	7.4
229.62321	3.0
232.97478	6.4
253.09262	6.6
258.98862	3.9
277.21780	8.0
291.01605	3.5
304.99661	6.4
306.00519	3.3
307.01285	12.1
307.18875	4.5
309.20688	15.0
311.22235	3.1
320.99219	4.6
327.21829	6.7
336.98596	11.4
377.01620	8.8
397.13541	4.0
409.00766	31.7
410.00967	3.0
422.44974	2.9
432.19183	2.8
451.05435	26.3
469.06454	52.1
470.06653	4.5
483.04449	100.0
484.04825	7.5
501.05768	17.3
653.43835	3.7
729.27979	96.9
730.28571	20.6
761.26147	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	787.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.0
59.01255	25.6
59.60574	2.1
61.98694	2.1
69.87241	4.6
69.87649	8.4
70.05791	1.9
71.01255	23.5
73.02844	2.0
75.00719	2.1
80.96302	1.7
83.04897	5.7
85.02827	3.0
87.00738	2.9
89.02296	4.5
95.04873	3.4
96.95874	8.1
97.02827	3.5
101.02325	5.6
109.06519	3.3
111.08014	4.7
124.46080	2.2
125.09574	2.4
139.15196	1.9
161.04395	3.6
163.11189	5.5
165.12782	3.0
169.12238	2.7
171.10135	17.7
175.44907	1.9
185.11647	2.2
191.05473	6.2
197.11746	20.1
201.11275	5.5
207.10211	8.7
209.11766	100.0
210.12085	3.9
211.13278	3.4
213.01213	1.8
225.11241	7.8
227.12816	12.3
235.08189	4.6
253.09248	16.2
256.76334	1.8
289.18024	7.6
291.19632	16.1
301.03546	2.9
307.19098	3.2
309.20688	24.9
310.21069	2.0
341.23444	3.4
343.24811	2.5
388.31470	2.1
461.20999	2.4
516.29913	2.1
787.41333	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	789.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89185	0.7
58.00462	0.8
59.01251	19.2
61.98698	3.4
62.95511	0.7
71.01242	6.6
71.13982	1.3
73.02817	1.6
78.95773	1.7
79.95605	3.1
80.04926	0.7
83.01254	1.5
85.02817	1.7
87.00739	1.1
89.02322	3.4
92.04933	0.9
93.03349	1.7
96.95889	100.0
97.14283	0.6
97.95845	0.7
101.02326	4.0
102.85133	0.6
106.06511	1.4
107.01241	0.8
107.03607	0.9
109.02824	1.9
113.02305	2.5
116.92738	1.3
119.03373	1.6
119.04931	1.1
120.04446	1.0
120.08085	3.1
121.05216	2.2
122.06012	19.1
125.02332	1.5
132.04430	4.5
134.06000	8.6
135.04416	1.6
137.02269	0.9
146.03601	1.1
147.04465	0.8
148.07526	1.1
151.00273	6.0
152.01047	1.6
160.06329	8.3
169.01369	1.0
171.10056	0.9
178.99794	1.5
191.05531	3.2
197.07126	1.3
198.12872	0.8
201.11429	1.0
209.11844	2.1
213.10275	35.7
214.10614	3.0
225.10356	3.1
226.06186	1.4
226.11028	2.4
239.11855	9.7
241.13419	20.6
242.13757	0.8
251.08083	1.3
251.11800	1.9
265.05103	0.8
267.11423	0.8
267.11945	1.0
267.15039	8.6
268.07306	1.1
271.02386	0.8
279.11316	10.9
280.11917	1.3
285.12436	62.0
286.12839	4.5
308.03491	0.9
311.13931	0.8
329.36591	0.7
342.12726	1.0
358.15671	2.8
374.79736	0.7
386.18619	1.0
459.17770	3.9
461.38528	0.7
489.49634	0.7
521.18231	1.3
549.17694	1.8
567.18726	2.5
692.15985	0.9
701.31555	3.4
745.30878	74.6
746.31006	15.1
760.34155	0.8
771.29706	2.3
789.28900	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	787.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.8
59.01253	22.2
61.98705	5.6
63.96103	1.4
69.03329	1.4
71.01254	21.3
72.99189	2.0
73.02818	7.0
78.95779	1.9
78.98460	6.2
79.95601	13.2
80.96391	85.3
81.03347	1.3
83.01257	1.4
85.02819	8.7
87.00764	4.7
89.02315	2.9
92.73965	0.9
93.03340	7.2
94.97959	19.4
95.01260	1.8
96.95882	12.3
97.02815	2.1
98.19766	2.2
98.95461	1.2
99.00753	1.9
101.02309	10.6
106.97952	4.2
108.02066	1.0
109.02835	3.5
113.02342	8.8
119.03347	2.1
119.04925	1.1
121.02824	7.1
122.03631	10.1
122.97451	5.4
123.00706	1.2
123.04427	1.2
125.02343	6.0
127.03915	1.5
133.02817	1.4
134.03613	1.5
134.05977	2.5
134.97444	5.9
135.04398	4.7
136.01569	12.6
136.99007	2.0
137.02356	5.9
141.05322	0.9
143.03415	1.4
145.02866	2.5
146.03619	1.2
148.99057	7.0
149.02356	16.9
149.04408	1.6
150.03133	83.5
151.00276	4.8
151.03941	16.2
152.98561	6.8
160.05191	1.1
161.02348	1.7
161.04428	2.5
162.03165	7.7
164.04681	2.7
164.98546	10.6
165.05482	85.8
166.02649	8.7
166.05824	3.3
173.04433	3.5
175.03970	1.2
177.05479	5.4
178.02663	1.0
179.03424	2.1
180.04208	7.8
181.05000	10.1
191.05528	18.6
191.07109	1.4
192.04169	1.1
192.05882	1.1
195.06560	82.3
196.06895	3.7
201.11215	2.2
205.05141	1.0
206.99646	3.2
209.11757	3.1
225.00697	26.8
239.11903	12.0
249.10280	1.4
257.12915	3.2
265.13489	7.8
266.13889	0.9
279.11349	2.4
303.37665	1.1
304.99115	1.1
327.12393	1.9
352.08176	2.0
357.09543	2.6
357.13504	7.1
372.11911	1.4
387.14441	26.3
388.14935	4.1
459.17725	1.5
483.15210	2.3
527.17969	1.2
535.19934	3.3
541.19641	2.1
547.19794	1.8
553.21271	1.9
565.39764	1.1
583.21729	11.4
584.22388	2.0
699.30377	11.0
700.30377	2.1
705.04584	1.1
743.31470	3.8
787.34277	100.0
788.34607	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95440	0.6
55.01760	1.3
57.03321	0.8
58.00470	1.3
59.01250	100.0
60.01600	1.4
61.98706	1.6
69.03336	2.4
70.10963	2.5
70.26909	0.6
71.01254	46.0
72.99191	1.6
73.02819	55.3
74.03162	1.2
75.00758	1.5
78.98470	2.7
79.95603	6.7
80.96388	33.4
81.03325	1.4
83.01257	17.2
85.02817	7.5
87.00756	4.2
89.02315	9.4
93.03355	2.3
94.97961	7.3
95.01284	1.6
95.02711	0.6
96.95876	3.7
97.02840	2.0
99.00755	0.9
101.02322	54.0
102.02670	1.0
106.97964	1.6
107.04971	0.7
108.02091	1.5
109.02866	1.6
111.00800	0.7
113.02333	18.5
115.03924	0.9
117.03355	1.7
119.03390	4.6
119.04907	0.6
121.02828	4.1
122.03612	2.2
122.97484	1.2
123.04388	0.7
125.02357	4.0
127.03890	0.6
131.03397	6.2
133.02864	1.2
134.03650	0.9
134.97490	2.1
135.04427	3.1
136.01558	13.6
136.02547	1.0
136.98993	0.7
137.02380	3.0
143.03397	6.0
145.02867	8.0
146.03630	3.6
147.04384	1.4
148.99080	3.1
149.02397	4.0
149.04456	6.4
149.05553	0.8
149.59251	0.6
150.03136	10.6
151.00258	4.1
151.03905	12.1
152.04469	0.7
152.98541	2.7
155.03426	1.7
160.05151	0.8
161.02423	6.0
161.04477	17.7
161.05951	1.8
162.03136	35.4
163.03725	1.7
164.04654	1.7
164.98540	5.1
165.05482	11.6
166.02621	12.4
167.03345	0.7
173.04482	1.6
175.03946	0.7
177.01729	0.7
177.05496	23.8
178.02524	0.7
178.05965	0.7
180.04227	1.9
181.04979	14.9
181.06541	1.0
182.05402	0.8
190.06325	0.9
191.03827	1.0
191.05550	7.3
191.07094	0.7
195.06572	13.8
201.11276	0.8
203.05586	1.3
205.08678	0.9
206.99617	1.1
207.06580	0.8
209.11789	0.8
219.06660	1.3
221.06659	1.5
225.00722	10.1
281.15530	0.7
327.08005	0.6
327.12424	0.8
329.10233	0.8
339.10959	2.0
348.24237	0.7
357.09741	2.1
357.13608	1.1
372.11945	1.2
387.14441	10.9
388.14728	1.1
483.14929	0.7
535.19958	3.1
541.20001	0.9
547.19690	11.4
548.19928	2.0
583.21967	0.9
743.31836	2.1
787.34265	33.0
788.35040	4.6
789.45142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1727
Annotation	Madreselvin B
Peak:m/z	Relative Intensity
59.01255	11.3
61.98698	0.8
63.02268	2.1
65.00191	5.3
69.03323	0.8
71.01253	5.8
71.58214	0.6
72.99158	0.6
73.02826	3.9
73.73708	0.4
78.95773	0.7
79.95537	0.6
80.96387	0.6
83.01253	4.8
85.02827	3.5
87.00767	0.5
89.02319	2.2
93.03327	3.4
93.08259	0.5
95.01237	0.8
96.95884	10.6
98.95458	0.7
101.02320	5.3
101.03770	0.5
107.01263	9.0
108.02077	1.0
109.02853	1.8
111.04388	0.9
113.02314	2.0
117.05424	0.5
119.03374	1.1
119.04908	6.5
121.02853	8.3
125.02323	1.0
133.02808	1.0
134.03610	1.5
135.04427	3.9
136.01617	0.6
137.02373	1.5
139.03845	0.6
145.02803	0.6
148.01588	0.7
149.02379	2.0
150.03104	3.4
151.00273	39.0
151.03891	1.0
152.00656	1.0
155.10732	0.8
161.02348	1.4
161.04482	0.9
161.05800	0.5
161.28798	0.5
162.03128	5.7
163.00314	1.3
163.03944	3.0
164.00970	0.5
165.05438	3.2
169.01357	3.4
173.04451	2.2
175.03896	0.7
177.05463	5.0
178.02647	0.5
178.99782	19.7
179.03345	1.6
181.05023	0.6
191.05524	13.6
193.01469	1.1
195.06557	2.2
205.04994	0.6
211.03979	0.9
226.02733	1.0
227.03397	1.8
229.05035	1.0
243.02959	4.3
245.04575	0.9
254.02112	0.8
255.02956	12.9
256.03403	1.1
257.04617	1.0
271.02469	29.7
272.02930	2.9
273.04028	2.7
289.11148	1.9
299.01917	1.9
300.02731	56.1
301.03506	100.0
302.03900	6.8
327.08612	0.7
339.08615	1.7
342.11026	0.6
352.07935	1.6
357.13281	2.8
369.13480	4.8
387.14502	0.9
439.13593	1.0
463.08774	1.5
479.21356	0.6
505.09879	34.9
506.10263	4.6
535.19464	1.2
583.10931	42.7
584.11255	6.0
787.17615	3.5
787.31299	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	787.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	11.5
61.98705	4.5
71.01259	4.2
71.58001	1.4
72.99181	1.3
73.02821	3.3
74.80958	1.1
78.95790	1.6
80.96379	1.9
85.02795	5.3
87.00753	2.4
89.02341	1.2
91.01727	1.2
93.03332	17.6
95.01266	1.7
96.95889	22.3
98.95453	2.3
101.02292	2.9
108.02076	1.9
109.02837	11.1
113.02321	2.2
119.04898	3.8
121.02852	16.6
122.03638	14.2
122.06104	1.0
123.00762	3.8
124.01577	2.8
125.02267	2.0
133.02858	4.0
134.03651	2.6
135.00757	1.5
135.04416	15.3
136.01559	27.1
136.04716	1.1
137.02351	20.1
138.02791	1.0
146.03603	1.2
147.04390	2.4
149.02345	30.0
149.06032	1.3
150.03128	100.0
151.00284	6.0
151.03922	35.6
152.01048	2.3
152.04362	1.6
153.01845	9.8
154.02592	1.6
159.04404	1.1
160.05194	1.3
161.02393	2.5
161.05994	2.1
162.03116	4.9
163.03949	5.2
164.04729	7.6
165.05487	97.4
166.02618	18.4
166.05830	4.7
167.03474	2.4
168.04004	1.2
172.05151	1.9
173.04488	4.3
175.03886	5.8
176.04633	1.6
177.01907	1.9
177.05478	3.5
178.02592	1.3
179.03424	2.4
179.07069	1.6
180.04190	6.5
181.04973	22.0
187.03972	1.5
189.05453	4.8
190.06265	8.6
191.03745	1.8
191.05539	30.8
192.04144	1.2
192.05894	2.5
195.06557	62.5
196.06845	2.9
203.15308	1.2
205.04881	1.6
231.38643	1.1
251.07219	1.4
271.02429	1.8
282.05130	2.0
287.09595	3.9
288.10046	1.3
300.02917	1.5
301.03473	3.1
308.08994	2.1
309.07974	2.0
315.08820	1.8
329.10284	4.0
342.11011	2.0
343.11438	1.4
352.08017	4.4
356.12589	2.5
357.09683	6.1
357.13428	11.5
358.14096	1.7
369.13440	1.7
372.12091	5.4
373.12900	3.0
385.26508	1.1
386.13696	2.9
387.14508	58.5
388.14902	5.3
402.16806	1.1
439.13992	2.2
490.15613	1.1
505.18652	3.2
535.19690	71.7
536.20013	11.3
553.21002	1.1
565.20746	2.2
583.21765	26.7
584.22015	4.4
619.19104	1.1
649.21399	1.8
787.25006	4.6
788.26892	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	785.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03313	1.6
58.00460	1.9
59.01249	31.5
59.75694	0.8
60.11288	0.8
63.15183	0.9
65.60786	0.8
69.26212	9.5
71.01254	21.6
72.99192	3.0
75.00750	2.2
75.17416	1.0
78.95796	1.9
79.95613	1.1
82.17075	1.1
83.01250	1.0
85.02833	8.8
87.00755	2.7
89.02319	25.0
91.05433	1.4
93.03345	1.3
95.01264	2.5
96.95889	35.8
98.19810	1.5
98.95512	1.0
99.00762	1.9
101.02319	13.9
109.95126	0.9
113.02327	13.3
117.03474	0.9
119.03394	10.4
131.03412	1.2
135.04457	2.4
143.03363	1.1
150.66240	0.9
175.11198	14.9
179.05536	2.4
191.05583	3.6
191.69269	0.9
219.10251	1.6
249.06149	4.1
267.07184	12.6
271.29190	1.0
305.10678	21.1
306.10968	2.0
327.08704	1.6
340.23596	1.1
385.11349	19.8
386.11984	1.2
399.16565	100.0
400.16885	8.8
423.51443	0.9
785.16382	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	781.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
61.98705	0.9
63.96095	0.8
69.03333	1.0
70.05054	2.4
71.01248	6.2
73.02821	1.5
78.95773	21.1
78.98457	4.6
79.95601	11.9
80.96387	59.5
81.03319	0.7
82.95972	0.5
83.04890	1.9
85.02810	2.5
87.00739	1.3
94.97956	12.9
96.95867	0.9
96.96825	4.9
97.02817	1.3
98.20538	0.6
99.00735	0.8
101.02303	1.5
106.97968	2.6
109.06436	0.4
122.97482	3.3
125.02312	2.1
127.03905	1.1
134.97464	3.5
136.98990	1.3
148.99019	4.2
152.98438	4.6
152.99611	3.6
163.11194	1.5
164.98526	10.3
165.12714	0.8
165.15302	0.5
181.12247	0.6
200.21655	0.4
206.99600	2.4
209.11761	18.5
210.12209	1.2
223.00024	1.3
225.00674	18.1
226.00882	0.8
227.12933	2.5
231.33510	0.5
241.01140	10.0
255.23256	11.1
256.23495	1.4
277.21765	1.5
290.64493	0.5
315.04294	0.5
357.49597	0.5
391.22562	0.8
423.73865	0.5
507.15540	1.1
525.16388	1.3
537.27264	1.6
763.39258	7.9
764.40088	1.1
780.40802	0.7
781.40717	100.0
782.41077	22.2
794.38708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.2
61.98699	1.1
67.33133	0.4
68.33244	0.4
68.76077	0.4
71.01247	1.7
71.56584	0.7
71.57020	0.5
79.01128	0.4
80.13440	0.5
81.03371	0.5
87.00741	0.9
93.03339	0.5
107.66708	0.4
108.90090	1.9
109.06470	0.5
110.97712	0.3
120.63358	0.4
121.02843	100.0
122.03190	3.1
130.88095	0.4
136.01567	0.7
143.03458	0.4
163.11122	0.4
165.01863	2.5
169.12294	0.6
171.10164	1.1
181.05020	0.6
181.06502	1.7
191.03424	2.1
191.05432	0.4
197.11758	3.8
207.10196	1.4
209.04494	68.2
209.11763	3.3
210.04852	2.9
223.13374	1.0
225.05464	2.0
225.11256	0.9
227.12909	0.5
235.08249	0.5
238.71852	0.4
253.09259	0.9
291.19553	0.5
293.21365	1.0
309.20715	0.9
313.07126	5.1
341.23318	0.8
343.24896	0.5
357.06039	2.0
358.06644	0.4
401.08722	9.8
402.08987	0.7
785.17230	1.1
785.42767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.194
Annotation	Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
55.63990	0.5
59.01256	4.0
62.28696	0.5
63.02276	1.9
63.78028	0.5
65.00182	1.3
66.18983	0.6
71.58356	0.9
73.02828	0.7
79.95615	1.2
83.01266	1.6
85.02822	3.8
87.00760	1.2
89.02347	0.9
93.03324	2.9
96.95887	68.6
98.95490	0.7
101.02334	1.4
107.01259	3.6
109.02861	0.6
113.02382	0.9
117.03365	0.9
121.12033	0.5
123.00703	0.6
123.04450	0.7
125.02307	0.6
127.03934	1.0
132.02048	2.7
133.02948	1.2
134.03633	2.3
135.00781	1.5
135.04413	9.0
136.85641	0.6
138.34013	0.5
143.04903	1.0
146.03679	0.7
151.00291	6.4
152.00995	0.9
153.01764	0.8
155.03423	0.5
158.03665	0.9
159.04379	1.0
160.01558	4.2
161.02383	4.7
163.00298	2.1
164.01079	1.5
169.01353	2.1
173.04503	2.6
175.03926	6.2
178.99805	1.8
179.03432	7.0
183.04416	2.1
185.02322	0.8
185.05904	1.0
187.03935	2.0
189.05482	0.7
191.05547	11.2
191.07149	0.5
193.05002	1.6
195.04428	1.0
199.03934	1.4
200.04700	0.7
201.05382	0.7
211.04039	3.6
212.04607	0.6
213.05447	1.2
227.03448	48.7
228.03812	3.2
229.05046	5.8
239.03413	1.5
241.05083	0.7
251.07205	0.7
255.02971	86.4
256.03500	8.4
257.04575	5.7
283.02478	5.3
284.03250	100.0
285.03995	54.8
286.04440	2.4
289.11154	23.8
290.11520	0.8
298.04800	1.3
299.05609	1.7
383.09662	1.0
397.11594	1.1
429.08258	3.1
485.13016	1.2
549.23352	0.8
591.13367	0.8
593.22711	3.2
609.14569	14.8
610.14661	1.7
623.15454	2.4
785.19073	44.1
786.19482	7.9
786.32574	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	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	5.6
61.98706	4.1
70.59324	4.3
71.01243	10.2
71.75732	2.6
78.95758	2.4
90.11124	2.7
96.95895	6.0
98.20392	3.7
126.01578	2.3
138.29382	2.5
171.10158	7.0
190.94563	3.1
195.13786	5.2
209.11757	74.7
209.13782	4.0
210.12096	6.7
225.11316	3.4
227.12837	21.3
253.09209	27.8
275.20102	6.1
293.21228	100.0
294.21490	9.4
295.22809	11.5
316.77829	2.4
438.04373	2.8
445.20700	4.1
529.29993	3.9
775.40167	27.3
776.41162	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	775.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91632	0.1
66.77152	0.1
78.95773	0.6
79.95605	2.8
88.83105	0.1
93.03345	0.1
96.95889	100.0
97.95832	0.3
98.02362	0.3
98.70447	0.1
98.95449	0.1
132.54198	0.1
137.02367	0.1
152.91956	0.1
159.16602	0.1
184.67009	0.1
191.05515	0.2
233.38188	0.1
560.72388	0.1
716.51129	0.2
768.00696	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	777.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51754	0.2
56.51591	0.2
59.01248	0.6
59.04844	0.2
60.38902	0.2
71.01244	0.3
79.95592	1.4
85.02792	0.3
93.03324	0.5
96.95889	100.0
98.19651	0.4
98.95440	0.2
109.02834	0.2
114.24316	0.2
131.65184	0.2
135.04445	0.2
152.07101	0.4
173.04579	0.4
179.03452	0.4
191.05475	1.2
229.09886	0.3
257.53763	0.2
273.12567	0.4
287.09570	16.2
288.09979	0.9
335.12396	1.4
500.39645	0.2
520.20599	0.3
725.32397	0.2
777.23132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.2
68.62173	0.2
69.37533	0.7
69.37956	1.3
70.22874	0.2
79.95594	1.2
93.03343	0.5
95.44846	0.2
96.95888	100.0
97.95806	0.4
109.02820	0.3
116.38705	0.2
129.73331	0.2
135.04424	0.2
147.53401	0.2
162.74454	0.2
173.04495	0.2
191.05440	0.2
289.11142	61.9
290.11456	3.7
332.45267	0.2
468.19067	0.2
657.60468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.6
57.03331	0.6
58.00477	0.8
59.01252	14.9
60.99173	0.8
61.98708	0.6
69.03339	1.1
70.67630	0.4
70.67975	0.8
71.01254	14.5
72.01611	0.4
72.99194	1.7
73.02812	2.4
73.37451	0.4
75.00751	0.5
80.02547	1.6
81.03326	1.7
83.01267	1.8
83.04905	5.4
84.02062	0.8
85.02833	3.4
87.00748	3.8
88.98689	4.5
89.02318	12.1
93.03344	0.9
95.01288	1.3
95.04935	0.8
96.95869	1.8
97.02838	2.0
99.00753	1.2
99.04382	0.4
101.02329	11.3
101.02995	0.6
109.02821	0.6
111.00765	0.4
111.04429	0.6
111.08006	0.4
113.02331	6.9
116.92750	0.6
119.03382	2.7
123.04400	0.4
125.02338	6.2
125.09594	0.9
127.03899	0.6
127.11202	1.6
131.03404	0.6
133.02867	0.4
135.04378	0.7
135.07971	0.4
137.02342	0.6
139.03880	0.8
140.71062	0.4
143.03418	2.0
153.09068	0.5
161.04515	2.7
163.11215	4.1
164.11491	0.4
165.12762	2.4
171.10184	71.4
172.10512	3.1
173.04457	0.5
179.03456	0.8
179.05550	2.8
181.12222	0.7
191.05550	2.2
191.10721	0.7
199.06035	0.6
209.11774	100.0
210.12115	6.0
217.07146	0.7
221.06706	0.9
225.11275	0.5
227.12842	13.3
228.13196	1.1
235.08188	4.4
251.12764	0.4
253.09210	0.7
259.08075	0.4
267.85934	0.3
269.77945	0.4
287.07782	1.8
305.08823	1.8
323.09787	0.8
379.12405	6.4
380.12991	0.5
397.13504	34.4
398.13831	3.0
415.14569	8.8
416.14896	0.7
551.23578	0.8
569.24469	1.1
607.26031	1.1
735.38922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56736	0.1
55.42438	0.1
59.01229	0.1
61.98706	0.2
65.57249	0.1
65.79102	0.1
71.01256	0.2
78.95779	1.4
79.95605	3.1
92.73450	0.1
94.03169	0.1
94.92397	0.3
96.95889	100.0
97.95813	0.3
118.96504	0.2
126.17687	0.1
139.01405	0.1
171.10214	0.1
209.11777	0.1
253.09183	0.1
279.23358	0.2
291.01004	0.1
293.21234	0.2
327.21457	0.1
397.13589	0.2
409.19073	0.4
435.08133	0.3
453.09290	0.8
592.55725	0.1
606.42743	0.1
654.39014	0.1
715.32141	0.8
739.42261	0.1
775.43781	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	775.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	9.3
59.54645	4.5
61.98689	22.0
66.16788	4.5
71.01242	7.9
78.95778	13.4
80.96366	7.2
83.04865	5.9
96.95859	5.2
98.19767	10.5
101.02295	8.5
109.06493	5.9
113.02386	5.2
117.55193	5.2
163.11221	6.3
171.10133	39.3
199.09673	18.5
207.10187	28.6
224.11771	5.1
225.11234	57.1
229.38585	7.7
235.08232	10.3
253.09215	15.5
257.94846	5.3
277.21674	100.0
278.22055	11.5
443.19223	7.4
461.20453	13.6
513.30975	8.0
684.67090	4.9
695.39990	34.5
721.41772	28.7
722.42059	8.4
738.32428	6.1
775.40820	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	773.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81430	0.4
59.01251	1.0
69.72055	2.1
71.01264	0.4
74.02335	0.5
77.62843	0.4
79.95598	1.5
81.79367	0.3
85.02809	0.4
89.88035	0.3
96.95889	100.0
98.95479	0.8
116.03412	0.4
161.09601	0.5
173.04318	0.4
177.05591	0.4
181.05327	0.7
191.05574	1.9
201.65297	0.3
241.14417	10.4
242.14799	0.5
267.66489	0.4
271.44986	0.3
303.09097	5.1
304.09418	0.6
305.10638	1.0
321.10120	77.0
322.10486	4.4
370.26462	0.4
416.29333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35057	1.1
57.03315	1.4
59.01252	15.5
60.82224	1.3
69.31519	7.3
69.31947	4.1
71.01248	11.3
73.02815	5.3
83.01261	6.0
85.02797	2.1
87.00702	1.8
93.03336	2.7
96.95884	17.9
98.67858	1.2
99.00748	1.4
101.02319	2.7
109.02835	4.6
111.04382	1.0
113.02315	2.1
115.00261	5.9
117.82642	1.0
121.02819	2.0
122.03634	3.5
123.04385	2.3
124.01472	1.9
125.02335	1.1
133.02850	6.3
134.03642	5.9
135.04390	3.7
137.02293	3.9
139.11208	8.0
145.02818	1.8
146.03621	2.6
147.04408	10.9
148.05176	5.3
149.02267	2.4
149.05977	1.8
150.03116	10.5
152.01068	1.2
154.81883	1.1
159.04480	2.8
160.05151	2.9
161.05939	4.4
162.06706	1.9
163.03955	2.2
163.07422	1.1
163.11147	1.1
164.04576	1.1
165.05486	9.7
166.02594	3.1
169.12286	2.6
173.04459	1.5
175.07509	1.3
178.02563	1.7
179.10678	2.2
181.04947	3.9
181.12236	4.2
183.10202	9.3
191.05473	4.9
193.05014	3.8
195.06573	3.8
197.11743	1.9
199.13258	1.1
207.06564	1.2
213.05557	3.7
225.11266	7.3
241.05022	14.3
241.08632	1.5
242.05573	1.4
243.12320	3.8
251.07123	1.7
252.07890	1.8
253.05040	1.2
254.05910	2.0
255.06538	1.8
255.10126	1.3
256.07382	7.8
267.06583	4.8
268.07324	9.6
269.08154	14.8
270.08652	1.4
271.09711	9.6
272.06906	2.4
272.09714	1.4
281.08112	1.8
282.08902	3.6
283.09698	9.5
284.10480	24.2
285.08041	1.6
285.11172	3.0
289.11148	7.7
297.11316	5.6
299.09906	1.2
299.12900	7.1
303.44708	1.2
310.08359	2.2
313.10828	2.5
325.10764	1.9
352.75360	1.2
387.10791	4.6
417.15390	4.9
446.60370	1.4
565.20593	4.8
573.47833	1.2
613.23126	2.6
713.28082	3.5
731.29718	1.6
753.16296	1.2
757.26794	2.3
775.28174	100.0
776.28534	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	773.373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	12.3
68.06770	2.2
70.93114	6.5
71.01254	6.6
83.04881	4.5
89.02322	3.6
96.95893	7.8
133.81180	2.7
148.64285	2.7
191.05467	2.6
209.11774	100.0
210.12094	4.6
216.01367	2.8
227.12827	20.8
253.09222	4.7
284.40189	2.7
290.21152	2.7
298.95712	3.0
327.21783	4.2
445.20728	10.7
637.32440	4.1
773.37500	25.1
774.38116	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	773.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
57.03316	1.2
58.00475	0.4
59.01249	7.4
61.42371	0.3
61.98695	0.7
64.58495	0.3
69.03327	1.0
70.10387	1.1
71.01250	4.9
71.04890	0.6
72.99170	0.4
73.02819	1.4
80.02551	1.1
81.03329	1.1
83.01245	0.9
83.02392	0.3
83.04897	4.8
84.02030	1.0
85.02820	5.5
87.00748	1.2
89.02316	2.9
93.03355	0.6
95.01257	0.6
95.04899	1.1
96.95896	4.9
97.02832	0.8
97.06463	1.8
98.95492	0.4
99.00738	0.5
101.02320	3.9
105.55443	0.3
109.06464	0.5
111.00706	0.3
113.02338	2.3
115.03919	0.3
119.03391	0.8
119.08562	0.3
123.04414	0.3
123.08023	0.3
125.02319	0.6
125.05978	0.6
125.09590	0.9
127.03944	0.3
127.07526	0.2
127.11175	1.0
133.04974	0.3
135.04372	0.4
135.08038	1.0
137.09602	1.3
143.03406	0.5
145.04977	0.5
149.04430	0.3
151.00302	0.4
155.10651	0.6
155.14328	0.3
157.04895	0.4
161.04454	1.9
163.11217	3.4
165.12749	2.7
167.14403	0.5
171.10184	13.9
172.10492	0.4
177.12793	0.7
178.99803	0.6
179.05502	0.8
181.12219	0.9
183.13838	2.0
185.11801	0.8
191.05473	0.8
191.10680	0.6
193.12207	0.7
197.11713	0.4
199.13301	0.6
201.11221	1.1
207.10178	0.9
209.11768	100.0
210.12117	4.7
211.11465	0.5
211.13351	8.9
211.15375	0.5
212.13649	0.4
221.11742	1.7
225.11275	1.0
226.11526	0.3
227.12834	13.6
228.13197	0.6
229.14394	6.8
235.08186	7.3
236.08519	0.3
239.12877	1.3
253.09271	17.9
254.09648	0.9
271.02655	0.3
291.19684	3.6
300.02698	0.5
301.03430	0.4
302.03253	0.3
309.20706	7.5
310.21149	0.4
327.21759	56.8
328.22064	3.7
445.20966	1.6
463.21808	0.3
519.33112	1.1
545.29755	1.0
563.30664	2.7
564.31427	0.3
729.40436	0.6
773.42432	0.4
775.06561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.3
61.98689	0.2
71.01249	0.9
78.95769	1.2
79.95605	3.1
90.97012	0.1
96.95887	100.0
97.02805	0.1
97.95810	0.2
98.02315	0.2
98.19647	0.2
101.02297	0.1
108.80878	0.1
118.96499	0.2
146.96021	0.2
163.11171	0.1
169.12270	0.4
171.10179	0.2
191.09093	0.1
198.64326	0.1
207.10246	0.3
209.11792	0.4
210.12117	0.1
211.13297	0.1
225.11278	0.2
229.27916	0.1
277.21762	0.5
291.04099	0.1
293.21240	0.4
357.33615	0.1
361.04684	0.3
371.62509	0.1
397.13483	0.2
407.17480	0.3
407.93182	0.1
415.14410	0.2
435.08429	0.6
453.09259	1.1
556.49548	0.1
597.58075	0.1
713.30798	1.1
714.31085	0.3
753.49921	0.1
773.39490	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	773.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18382	0.3
59.01249	1.3
59.31691	0.3
63.54276	0.2
67.19330	0.2
69.90353	0.3
69.90650	1.6
71.01229	0.6
72.99175	1.0
73.02824	0.5
83.01218	0.3
85.02810	0.4
93.03333	52.7
94.03664	1.8
96.95876	2.8
98.19877	0.5
99.00749	0.4
101.02325	0.3
107.01270	0.6
108.02043	0.4
109.02834	0.3
113.02332	0.6
119.04916	1.2
121.02873	0.5
135.04428	0.5
137.02341	100.0
138.02679	4.1
150.03085	0.3
151.00223	1.5
159.04446	0.4
160.05226	2.0
161.05911	0.4
163.03891	0.8
164.04605	0.5
173.04533	0.7
173.05943	0.4
175.07561	1.3
178.06282	0.4
178.61900	0.3
178.99780	1.0
179.07027	0.3
191.05498	1.8
207.04980	0.3
211.07561	0.3
225.98131	0.3
227.03418	0.5
243.03139	0.6
245.04541	0.3
255.02881	1.9
256.03336	0.4
271.02484	3.1
272.02863	0.5
300.02716	5.4
301.03430	4.2
302.03748	0.4
315.12387	0.4
329.13882	4.7
330.14355	0.4
371.11441	0.4
463.08774	5.6
464.09222	0.8
506.94577	0.3
609.12390	0.7
635.23151	2.9
636.23615	0.4
669.41644	0.4
773.27032	6.6
774.27441	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	773.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
61.98709	0.2
71.01251	1.5
71.56660	0.1
73.02857	0.1
73.41026	0.1
77.63473	0.1
78.95766	1.0
79.95609	3.1
83.01256	0.1
87.00755	0.1
89.02313	0.1
90.97012	0.1
94.97958	0.1
96.95889	100.0
97.02832	0.2
97.95806	0.3
98.02328	0.3
98.90554	0.1
99.00790	0.1
100.09305	0.1
101.02291	0.2
107.29520	0.1
107.53071	0.1
109.06498	0.1
113.02333	0.2
118.96520	0.2
146.96040	0.1
148.08794	0.1
152.84485	0.1
161.04436	0.1
163.11241	0.2
169.12299	0.1
171.10179	1.3
185.11716	0.1
189.00624	0.1
192.83505	0.1
199.09781	0.2
201.11302	0.5
207.10196	0.5
209.11690	0.4
210.99136	0.1
211.13344	0.1
222.99190	0.1
225.11305	0.4
234.53064	0.1
235.08261	0.2
253.09300	0.3
277.02448	0.1
277.21796	0.2
280.63354	0.1
291.03836	0.2
293.21237	0.8
311.19238	0.1
311.22351	0.5
361.04480	0.2
397.13538	0.2
407.17181	0.4
415.14752	0.1
425.77277	0.1
435.08105	0.6
453.09210	1.0
461.20407	0.1
495.10782	0.1
593.26416	0.2
713.30640	1.0
714.31049	0.1
773.43207	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	771.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	28.2
61.98717	5.2
63.09276	1.5
71.01247	15.8
71.56657	2.7
72.99169	1.6
79.95595	2.1
83.04901	6.3
85.02828	2.3
87.00773	2.7
89.02329	3.6
94.92408	4.4
97.02797	2.6
101.02333	6.4
109.06472	5.8
113.02335	3.0
125.09630	2.2
150.92377	1.7
163.11185	6.8
165.12669	1.8
171.10184	19.1
179.10707	1.9
183.13759	1.8
185.11884	2.0
191.10609	2.1
195.13890	3.4
197.11819	4.4
199.13367	2.6
201.11217	3.8
207.10182	20.2
209.11761	100.0
210.12199	4.7
211.13367	3.6
214.12506	1.9
223.13350	2.8
225.11276	15.1
227.12865	15.3
235.08153	6.7
247.09276	2.8
253.09250	16.4
259.15259	1.8
265.10483	2.3
275.20105	5.9
282.65887	1.7
291.19598	4.0
293.21219	56.7
294.21411	4.4
309.20807	4.9
311.22134	2.5
325.23624	2.0
327.21790	15.0
656.90936	2.2
693.85638	2.2
771.42096	8.9
777.54639	2.3
802.94214	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	771.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91985	0.1
59.01241	0.4
59.08644	0.1
61.42569	0.1
61.98694	0.2
65.03851	0.2
69.40112	0.4
69.40532	0.8
71.01243	0.5
72.99176	0.6
85.02806	0.2
91.38419	0.1
93.03332	48.9
94.03671	1.1
96.95903	0.7
98.20621	0.2
99.00750	0.2
101.02309	0.2
108.02047	0.3
109.02846	0.2
111.00729	0.1
113.02315	0.3
121.02785	0.2
136.01561	3.0
137.02338	100.0
138.02669	2.9
147.04370	0.1
151.03902	3.1
164.60474	0.1
175.04002	0.1
176.04774	0.2
184.78949	0.1
191.05496	0.2
191.07060	0.3
300.67953	0.1
312.10052	0.1
324.10089	0.2
327.12509	0.5
339.12399	0.6
343.11926	0.4
357.13425	1.5
469.17035	0.1
603.20801	0.2
615.20947	0.2
619.19928	0.2
633.21765	1.3
651.22717	0.2
771.24786	3.0
772.24652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.4
57.03325	1.3
58.00464	0.5
59.00950	0.5
59.01251	9.3
61.98717	0.9
69.03307	1.3
70.10851	1.5
71.01247	6.5
71.04890	0.8
72.67458	0.4
72.99181	0.5
73.02814	2.2
75.00729	0.5
79.00058	0.5
80.02544	1.9
81.03338	1.7
82.95238	0.6
83.01256	1.1
83.04900	6.2
84.02050	1.2
85.02818	2.7
87.00746	1.6
87.14810	0.5
89.02296	3.0
93.03323	0.5
95.01255	0.5
95.04908	1.8
96.95901	3.9
97.02825	2.3
97.05881	0.5
97.06461	1.4
99.00750	1.2
99.04392	0.9
101.02320	4.4
108.40205	0.4
109.06476	6.0
110.03621	0.5
111.00759	0.5
111.04405	0.5
111.08021	0.5
113.02344	2.5
119.03387	1.0
121.06454	0.4
123.04394	0.9
123.08040	0.5
125.02367	0.8
125.05962	0.8
125.09586	2.9
127.07540	1.4
127.11216	0.7
135.08072	2.4
137.09584	0.5
139.07538	0.7
141.09045	0.7
143.03465	0.4
145.04930	0.5
151.11200	0.5
153.09114	5.9
154.09619	0.4
155.10718	0.7
161.04442	1.9
163.11186	7.6
165.12767	2.5
169.12257	0.9
171.10178	20.5
178.09885	1.3
179.05563	0.6
181.12273	1.7
181.62163	0.4
183.13771	0.9
185.11734	2.2
189.09103	0.7
191.05530	0.8
191.10718	1.7
193.12207	0.8
197.11758	6.4
199.13345	0.9
201.11258	2.5
207.10193	10.5
208.10486	0.5
209.11765	100.0
210.12079	6.0
211.13298	3.5
225.11281	6.7
227.03452	7.0
227.12836	13.6
229.14372	1.4
235.08168	4.3
237.14896	0.8
238.11946	0.7
243.12546	0.6
245.19057	1.7
249.14822	0.5
253.09265	14.2
254.09683	0.5
255.02948	8.7
256.03513	1.1
263.19974	0.5
271.02518	0.5
284.03308	5.3
285.03973	2.3
289.18100	7.2
290.18491	0.5
291.19699	1.7
297.20529	0.5
300.02597	0.7
307.19135	24.1
308.19400	1.4
309.20642	3.6
313.18149	0.6
325.20206	19.1
326.20544	2.0
327.21759	9.0
328.22324	0.7
335.22192	0.7
345.20731	0.8
363.21979	0.5
402.27716	0.5
407.19244	0.5
445.20474	1.3
461.20337	2.0
517.31317	0.6
525.27234	1.4
543.28143	5.4
544.28729	0.7
561.29022	1.2
651.37726	0.8
684.33722	0.9
735.39490	2.6
740.14685	0.5
753.40863	4.8
771.29858	6.0
771.42133	3.3
772.31915	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	771.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.9
60.58073	0.1
60.71505	0.1
71.01248	0.9
71.35075	0.2
72.99181	0.4
73.02800	0.2
80.96384	0.2
85.02814	0.4
87.00754	0.2
89.02302	0.3
93.03333	43.0
94.03664	1.2
96.95891	1.5
98.95469	0.1
99.00784	0.2
101.02328	0.4
108.02052	0.2
109.02850	0.1
113.02342	0.5
114.92235	0.1
119.04919	0.1
121.02818	0.2
133.23460	0.1
135.04378	0.5
137.02339	100.0
138.02682	2.9
151.00197	0.2
159.64523	0.1
173.04434	0.2
175.03867	0.2
177.01834	0.5
179.03461	0.3
191.05461	0.6
203.07114	0.1
255.03017	0.4
271.02606	0.3
281.08188	0.3
297.07648	0.4
300.02875	0.4
301.03705	0.2
303.12231	0.1
309.07764	1.0
309.11111	0.2
312.09949	0.4
323.09290	0.2
324.09943	0.8
325.10693	0.2
326.11716	0.1
327.12323	1.3
339.12360	2.7
340.12900	0.3
418.66373	0.1
514.44275	0.1
615.20447	0.1
667.39362	0.7
685.40033	0.4
727.40656	0.2
771.25122	3.4
772.25732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.0
59.01250	6.2
61.98703	8.8
63.96118	1.4
69.03326	0.9
71.01261	9.6
71.58048	0.7
71.58448	0.7
72.99176	0.9
73.02808	2.6
78.98467	7.7
79.95605	16.3
80.96391	80.7
81.03343	1.0
83.01258	0.6
83.04898	0.9
85.02831	4.1
87.00755	3.2
89.02338	0.7
93.03348	1.5
94.97961	18.1
95.01236	0.9
96.95891	9.1
97.02821	1.8
99.00710	1.1
101.02348	4.1
103.92786	0.6
106.97956	3.3
109.02824	0.8
113.02296	1.1
116.92773	0.8
121.02863	0.8
122.97488	3.6
124.13045	0.5
125.02341	4.4
127.03876	0.9
134.97470	6.2
135.04416	2.1
136.99043	1.5
137.02336	0.9
148.99048	8.7
152.98520	6.6
161.02367	0.6
164.97263	1.1
164.98544	14.6
167.00114	0.8
171.10144	0.6
173.04486	1.8
191.05551	6.2
192.05858	0.8
206.99556	3.3
209.11757	6.0
215.91776	0.6
225.00693	26.7
253.39525	0.6
275.57410	0.8
300.02472	0.6
301.48517	0.6
509.16821	2.3
541.19421	1.8
665.39606	1.0
725.39777	1.3
769.33179	100.0
770.33466	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	765.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.5
57.03335	1.0
58.00472	0.5
59.01252	13.0
61.98702	100.0
66.00165	0.4
69.03326	0.7
70.32722	1.1
70.33121	0.9
71.01253	11.4
72.99191	1.2
73.02818	1.3
75.00748	0.8
78.95808	0.8
79.95651	0.4
81.03342	1.1
81.38489	0.4
82.19547	0.4
83.01281	1.7
83.04898	1.2
85.02838	2.4
87.00751	2.5
88.98689	0.6
89.02315	10.3
89.02831	0.8
93.03315	0.8
95.01275	0.7
95.04894	0.9
96.95900	2.6
97.02850	2.4
97.06490	1.6
98.20594	0.5
99.00782	0.8
101.02319	8.1
109.06497	0.9
111.29964	0.5
112.01548	0.4
113.02341	4.2
117.62793	0.4
119.03361	2.7
121.06483	0.5
123.04450	1.3
123.08079	0.5
125.02332	2.9
125.09618	2.3
135.04463	0.5
135.08057	0.8
137.09624	1.8
139.19635	0.4
141.12764	0.6
143.03432	2.0
161.04466	2.8
163.11223	3.3
171.10159	1.0
173.04512	0.5
177.12794	0.7
179.05522	2.1
181.12286	0.6
185.11795	2.4
191.05609	2.0
191.14346	3.3
207.10257	2.7
208.10637	0.5
209.11786	11.5
210.12134	1.3
211.13411	1.3
221.06743	1.2
225.11288	2.2
227.12930	1.2
235.08167	2.8
237.11295	0.9
245.19101	5.6
253.09233	1.2
263.20224	0.8
271.16995	0.7
289.18091	25.0
290.18262	2.2
305.08841	0.7
307.19147	30.7
308.19495	2.7
323.10205	0.7
397.13495	17.4
398.14078	1.5
415.14581	15.6
416.15060	0.9
452.47363	0.6
539.24829	0.5
607.25885	0.9
705.33612	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	765.41
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.8
63.96114	2.2
69.03326	1.5
71.01252	8.5
73.02823	2.3
78.98465	6.5
79.95605	12.9
80.96390	80.0
81.03322	0.7
82.95953	1.1
83.52233	0.4
87.00751	3.5
94.97961	20.6
95.01267	0.7
96.95890	1.3
97.02847	2.6
98.20575	0.8
99.00765	0.9
101.02312	2.6
106.97980	3.7
122.97459	3.5
125.02349	3.6
126.38111	0.5
127.03895	0.8
134.97482	5.7
136.99069	1.4
140.23926	0.5
148.99036	7.2
152.98549	6.9
153.54596	0.5
158.89046	0.5
164.98538	14.9
171.26962	0.4
178.99911	0.5
188.98605	0.5
206.99673	2.8
209.11769	1.6
225.00703	23.7
226.01123	0.6
255.23257	2.0
292.39603	0.5
384.06799	0.5
413.76044	0.5
509.16949	2.9
537.26941	1.0
591.13110	0.5
669.66467	0.6
765.40912	100.0
766.41278	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14617	0.2
69.28390	0.3
69.28796	1.6
71.01268	0.2
79.95602	1.6
80.14861	0.2
87.20852	0.2
96.95885	100.0
97.95780	0.4
98.20495	0.4
98.93233	0.2
105.52898	0.2
117.80740	0.2
191.05548	0.5
191.68286	0.2
242.14059	0.2
290.90302	0.2
297.77707	0.2
303.09055	62.6
304.09369	4.9
575.05786	0.2
610.85931	0.2
614.76794	0.2
798.52100	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	767.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93285	2.9
55.01781	2.6
59.01253	45.5
61.98689	12.9
69.03287	3.9
70.37647	3.1
71.01250	29.5
75.00751	3.7
78.95776	3.5
81.03307	4.9
83.01263	5.9
83.04902	5.1
85.02824	10.2
87.00761	7.2
89.01836	3.4
89.02314	21.6
93.03345	7.2
95.01199	3.0
96.95894	16.6
97.02824	6.2
98.19765	7.9
99.00717	2.9
101.02307	24.4
101.66181	2.9
111.04359	3.6
113.02336	11.9
115.79394	3.1
119.03339	7.2
125.02334	6.0
125.09629	6.1
134.03583	4.2
135.04378	4.0
139.11237	3.6
139.18008	3.1
143.03439	3.3
161.04390	5.7
163.11136	4.5
165.12778	8.9
167.10741	3.6
170.75510	3.2
171.10216	10.9
173.04460	8.4
178.02669	5.4
179.05531	6.0
183.13684	3.6
191.05559	9.1
191.10739	3.4
197.11734	7.1
207.10269	4.5
209.11780	39.0
225.11067	3.5
235.08276	7.0
247.20732	7.8
255.02831	2.9
265.21548	4.6
275.09174	5.7
289.18173	5.9
291.19653	55.7
292.20020	4.9
309.20715	100.0
310.21008	8.1
397.13535	35.3
398.13937	3.4
415.14496	34.5
653.93195	3.2
707.34949	6.8
709.01990	3.0
767.39716	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	768.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
61.98701	100.0
62.98387	0.2
67.88445	0.1
69.36787	0.1
70.58266	0.1
71.01267	0.5
71.58409	0.1
72.99167	0.1
78.95794	0.2
79.95622	0.2
80.40791	0.1
80.96391	0.5
85.02824	0.3
87.00761	0.2
89.02315	0.3
93.03385	0.2
94.97968	0.1
96.95884	0.9
97.02848	0.1
101.02313	0.3
113.02325	0.2
135.04488	0.2
140.47871	0.1
171.10217	0.2
173.04575	0.2
191.05582	0.5
209.11786	0.4
242.19077	0.1
263.33209	0.1
309.20847	0.2
378.92441	0.1
397.13599	0.2
457.67545	0.1
628.85181	0.1
648.25165	0.1
768.31873	0.2
769.31976	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	769.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23723	0.8
57.03325	16.3
59.01250	3.4
63.65645	1.0
67.01762	4.0
69.03309	1.9
69.33101	8.9
71.01254	3.0
73.02797	1.0
81.03361	1.2
85.02827	6.7
87.00749	6.7
93.03332	24.1
96.95902	1.4
97.02831	2.6
99.04396	14.2
101.02322	3.8
109.02816	1.4
111.04379	4.7
113.02291	1.0
113.46262	0.9
119.04903	9.7
125.01431	1.7
125.02328	23.2
127.03873	2.1
129.01871	1.0
134.92085	0.8
135.04416	1.5
137.02325	1.3
143.03360	1.2
145.02824	1.4
152.32330	0.9
155.03374	1.8
161.04564	1.1
163.03908	8.1
173.04472	32.1
179.03365	1.0
191.05531	100.0
192.05875	3.9
203.05534	1.1
207.05025	1.1
232.66583	0.9
243.08817	1.7
247.08176	1.1
329.08713	1.3
337.09256	39.0
338.09625	1.3
431.12048	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	762.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	71.3
61.98703	26.5
64.90446	2.3
71.01257	20.2
71.86299	2.2
72.99168	3.5
73.02816	5.8
78.95736	2.7
80.96398	4.3
83.01253	3.5
85.02841	7.2
86.02363	2.7
87.00755	7.1
89.02317	3.0
96.95883	5.9
98.19664	4.8
101.02325	10.9
113.02339	7.3
114.05491	13.2
116.07100	4.6
171.10222	6.6
173.04541	3.1
191.05534	8.6
211.13351	5.0
230.17192	3.1
316.77933	2.7
453.33530	6.5
514.38983	72.1
515.39417	9.7
658.43359	31.2
659.43903	5.5
676.44232	26.2
677.44830	5.7
718.45337	100.0
719.45123	20.1
763.35553	8.8
782.94598	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	762.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.4
59.01250	61.9
61.98702	69.3
67.86631	1.7
68.80736	1.7
69.50459	13.8
71.01247	15.8
73.02810	7.3
75.01926	2.3
78.77554	2.0
85.02818	6.9
87.00764	3.9
88.03910	2.1
89.02305	5.1
95.00709	1.9
96.95889	5.0
101.02305	8.0
113.02325	7.0
114.05503	7.9
116.07030	3.6
145.46240	1.8
151.19656	1.9
185.90407	1.9
259.02527	2.1
290.00061	2.0
302.07452	2.4
425.34134	4.1
453.33649	7.5
456.34683	2.7
514.38959	68.7
515.39172	9.5
654.65723	2.6
658.43286	24.9
659.43060	2.7
676.44147	19.8
677.44305	3.8
718.45294	100.0
719.45642	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	763.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.7
61.98693	1.8
66.10049	0.2
69.60628	1.2
69.61037	0.6
71.01235	0.3
84.00762	0.3
84.17748	0.2
84.95001	1.1
85.00298	0.3
86.02363	0.7
87.00748	100.0
88.00272	7.8
88.01062	1.3
89.02316	0.5
121.28483	0.2
214.45193	0.2
277.21710	0.9
385.47125	0.2
396.71521	0.2
397.13474	1.6
415.14511	0.8
514.44238	0.3
755.96588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.1
61.98694	2.7
63.96099	1.6
66.87585	0.5
68.03848	0.5
71.01251	9.0
72.99160	0.5
73.02808	1.8
78.95784	0.9
78.98468	7.8
79.95605	15.6
80.96388	91.4
85.02811	3.0
87.00744	3.2
88.95293	0.6
94.55397	0.6
94.97960	19.9
96.95874	1.0
97.02831	1.8
98.07040	0.5
99.00715	1.3
101.02318	3.1
106.97963	4.0
120.36156	0.5
122.97480	4.0
125.02369	3.8
127.03883	0.7
134.97464	7.0
136.99069	1.9
148.99057	7.3
152.98540	5.8
164.98549	13.1
181.12335	0.6
202.02539	0.5
206.99644	3.9
207.10120	0.9
225.00688	24.6
225.11227	1.3
255.23209	1.8
283.04980	0.8
473.53500	0.6
497.73737	0.6
507.15335	4.2
537.27277	1.4
763.39374	100.0
764.39764	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.5
60.99175	17.7
61.98685	0.8
71.01246	2.5
72.99181	0.5
80.11791	0.3
87.00748	11.6
88.00275	8.5
88.01098	1.4
88.98676	100.0
89.02311	79.4
89.99023	1.0
90.02679	1.0
99.00765	0.6
101.02312	0.9
103.91895	1.7
104.92687	1.4
110.74347	0.3
113.02320	0.5
114.94790	0.6
122.89313	1.2
125.02330	0.5
130.94252	0.6
142.94266	0.4
148.90877	3.6
158.93736	0.6
160.16902	0.3
171.94601	0.4
172.95377	0.8
184.95302	0.4
207.10184	0.5
224.21333	0.3
229.79623	0.5
235.08315	0.4
253.09430	0.4
277.21695	3.3
278.21887	0.5
397.13559	5.5
398.13989	0.7
409.00800	0.7
415.14548	1.7
450.77695	0.4
451.04974	0.6
469.06345	1.2
483.04416	1.4
487.03073	0.6
534.82001	0.5
729.28345	1.8
765.25513	2.5
766.26544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47532	0.3
59.01244	1.2
60.99174	16.1
61.98684	2.2
70.26782	0.2
71.01244	1.5
87.00749	5.3
88.00276	5.7
88.01086	0.6
88.98676	100.0
89.02312	33.0
89.99013	0.6
101.02354	0.6
102.17936	0.3
103.91901	0.6
104.92670	0.5
114.94722	0.6
122.89304	1.0
130.94250	0.4
148.90880	1.3
158.93855	0.3
171.10204	0.4
207.10219	0.5
223.13341	0.4
225.11246	0.5
277.21680	1.8
304.99948	0.4
397.13422	2.6
409.00525	0.3
415.14551	1.1
451.05685	0.3
469.06613	0.6
483.04382	0.8
501.04401	0.4
729.27893	1.0
736.05695	0.3
765.25598	1.2
765.38257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	11.3
61.98678	10.0
70.08714	21.3
71.01254	50.1
75.16013	4.1
78.95779	9.7
80.96391	7.7
83.04922	4.9
101.02239	4.7
126.11805	5.3
171.10205	47.0
201.11214	6.5
207.10147	9.3
209.11742	100.0
210.12206	5.4
215.14803	5.5
227.12823	20.0
246.95703	5.2
253.09233	16.9
277.21658	50.0
278.21951	6.5
279.23380	40.0
306.27579	5.6
480.23599	5.3
759.42273	19.8
760.42981	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	759.409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	9.6
59.86402	6.0
61.98698	11.4
67.85649	8.9
71.01244	8.3
80.96358	8.0
96.95869	6.7
101.62329	6.3
127.92563	6.3
140.37720	6.6
152.99544	10.4
156.04024	6.2
171.10216	6.7
172.32732	6.7
184.47427	7.2
198.72610	7.1
209.11829	63.4
227.12753	14.1
235.08315	7.9
253.09361	11.2
277.21719	100.0
309.69888	6.3
321.41074	7.4
335.78784	6.7
759.40698	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	759.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93199	0.8
56.90714	0.7
57.03304	1.4
59.01249	9.0
61.98701	4.8
71.01257	3.8
73.02832	0.7
81.68125	0.8
83.04901	1.4
87.00760	1.6
88.03151	0.7
89.02339	2.3
96.95879	0.8
97.02844	2.0
101.02319	3.8
109.06450	0.8
111.08064	2.5
113.02328	1.4
119.03405	1.1
125.09606	1.6
127.11186	1.9
137.09615	1.3
161.04498	1.2
163.11171	1.5
165.12776	1.4
169.12247	1.2
171.10178	100.0
172.10519	5.4
181.12166	1.0
184.13808	0.8
191.05437	1.1
195.13712	1.3
197.11769	13.5
198.12164	1.5
199.13332	1.1
201.11208	2.8
209.11768	18.6
210.12082	6.9
211.13306	3.2
227.12912	1.9
228.13037	1.2
235.08168	5.5
247.20763	1.6
253.09268	15.1
254.09654	1.3
255.09801	1.3
277.21811	0.8
291.19669	16.2
292.20135	1.3
293.20999	1.1
295.22842	6.9
296.22900	0.9
309.20700	35.7
310.21021	3.1
311.22223	6.9
312.22546	6.7
313.22861	3.2
382.22101	0.9
407.19019	3.7
413.87350	0.8
433.91211	0.9
527.28760	1.1
545.30255	1.4
759.42542	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	759.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	17.6
61.98692	2.0
71.01249	7.0
73.02783	1.6
83.04912	1.9
85.02790	2.5
87.00752	1.6
90.43822	1.4
93.03348	2.6
96.95896	7.4
98.19815	3.1
101.02318	3.2
113.02330	2.1
122.05991	3.2
130.60880	1.6
132.04414	2.0
134.05995	5.0
136.07530	3.1
137.49661	1.6
163.11137	1.9
171.10133	2.3
173.04456	2.9
191.05499	9.1
201.11232	21.1
209.11771	100.0
210.12102	5.4
225.11311	2.5
227.12859	20.7
235.08192	5.0
253.09164	9.8
255.11459	3.1
257.12943	13.5
277.09778	2.8
279.11371	2.4
301.11951	16.4
302.12363	2.0
339.13449	5.5
375.21539	1.8
381.10913	4.1
437.20563	3.4
445.20810	17.5
446.20972	2.0
629.31683	4.7
637.32263	4.6
639.24164	8.3
640.25153	2.3
673.34363	3.0
759.35962	19.9
760.35284	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	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	15.7
61.98701	1.3
71.01250	81.0
71.45976	1.7
73.02816	3.7
84.76665	1.3
85.02846	2.2
87.00736	2.2
96.23302	1.2
97.02872	1.5
98.20632	2.8
99.00774	1.7
101.02331	5.4
103.38448	1.2
109.06493	4.9
113.02322	2.4
125.09582	1.6
161.04463	1.5
163.11125	2.8
171.10172	51.2
172.10574	2.9
181.12257	2.3
199.09682	11.2
199.13310	2.0
201.11247	10.2
207.10188	16.2
209.11719	1.6
225.11327	8.3
235.08145	6.6
253.09309	7.6
277.21710	100.0
278.22086	9.4
295.22864	2.3
382.54523	1.6
432.93262	1.4
461.20230	2.2
636.11005	1.5
673.55341	1.8
697.54224	1.6
721.41638	4.2
757.43597	12.0
758.43848	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	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00186	1.0
54.57854	0.6
54.75221	0.6
55.01746	0.7
59.01249	11.0
61.98697	1.4
63.74311	0.6
71.01253	100.0
72.01600	1.8
73.02805	1.5
78.95770	1.3
83.04887	0.9
85.02824	0.9
87.00836	0.6
89.02321	2.4
95.43468	0.7
96.69585	0.6
97.02828	1.6
99.00749	1.4
101.02325	4.7
101.41235	0.7
109.06445	3.5
113.02314	2.0
125.09615	2.4
127.11179	1.9
143.03452	0.6
152.99461	0.9
153.09100	0.9
155.10696	0.9
161.04442	1.6
163.11148	2.2
167.98282	0.6
171.10176	77.9
172.10529	2.9
172.28836	0.7
179.05522	0.9
181.08647	0.9
181.12222	1.5
185.11542	0.7
199.09673	7.5
199.13307	1.3
201.11247	9.8
202.11626	1.0
207.10204	14.7
208.10376	0.9
209.11844	1.1
225.11275	9.8
235.08257	3.6
243.12320	2.4
253.09265	8.4
277.21710	88.2
278.22043	8.9
352.06015	0.6
366.88739	0.7
435.18484	1.0
461.20090	2.5
721.41559	2.7
739.42365	0.9
757.43793	10.4
758.44153	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	757.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	48.6
71.01260	40.8
72.15503	24.1
83.90999	25.9
90.60726	23.4
110.87498	26.4
119.02396	24.8
192.76308	24.0
225.11333	55.1
229.23135	30.6
277.21625	51.9
314.08087	24.2
560.73413	28.7
591.72980	27.9
750.63843	26.9
757.40540	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	757.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
59.01249	16.3
61.17425	0.6
61.98687	1.5
68.62125	0.7
70.87617	0.7
71.01264	4.1
71.57210	0.9
73.02811	1.3
75.00768	0.7
75.31757	0.7
77.96898	0.6
78.95784	2.0
78.98473	0.8
79.95604	1.5
80.96383	3.8
83.01270	1.5
83.04859	0.7
85.02826	1.0
87.00726	0.8
89.02319	2.7
89.11937	0.7
94.97963	1.9
96.95866	1.4
97.06464	1.9
101.02325	2.9
109.06430	0.6
113.02252	1.2
119.03394	0.6
125.09608	2.5
127.11179	1.6
136.88603	0.7
137.40474	0.6
141.12775	0.7
152.99496	2.3
161.04474	1.3
163.11189	2.6
164.98573	1.4
165.12805	1.0
171.10179	100.0
172.10553	5.8
178.93262	3.8
185.11760	2.4
191.14336	2.2
197.11809	0.7
207.10158	1.6
209.11777	8.6
210.12082	1.4
210.95975	0.7
217.16280	0.6
220.94351	2.2
225.00807	1.4
225.11261	2.5
227.12851	0.8
229.95691	0.7
235.08231	4.8
237.11359	1.0
245.19083	5.2
250.95326	0.8
253.09274	8.9
263.20248	1.4
277.21771	1.0
289.18085	26.1
290.18451	2.3
295.22803	2.6
299.01840	0.9
307.19165	22.7
308.19421	1.2
326.94647	0.7
351.19351	0.7
367.54272	0.7
397.01447	3.2
407.19205	1.2
415.02170	1.7
437.00507	3.3
516.73132	0.8
577.26880	7.5
578.27167	0.9
598.22913	0.7
615.21747	3.6
632.29645	0.7
756.90118	0.7
757.43774	1.8
771.66412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	19.0
61.98686	3.0
69.86868	9.5
71.01249	93.6
72.01634	1.9
73.02823	2.0
85.02840	2.2
89.02325	6.3
98.19881	3.3
99.00733	3.3
101.02331	5.5
103.73840	1.8
109.06449	9.2
125.09585	3.3
127.11166	2.5
135.08115	2.3
137.09633	2.5
141.85651	1.8
152.99507	2.9
155.10680	2.1
158.84425	2.1
159.21776	1.7
163.11195	7.7
171.10176	100.0
172.10539	4.4
181.12300	3.5
189.12439	2.0
190.28288	1.6
190.78551	2.0
199.09694	20.8
199.13324	2.3
201.11238	19.1
207.10197	23.1
208.10426	2.0
209.11729	4.1
225.11255	17.2
225.45117	1.5
253.09233	13.8
255.23305	1.9
277.21704	66.6
278.22073	7.2
295.22769	1.9
337.02258	1.6
435.19012	2.8
461.19989	4.1
721.41711	4.7
739.42780	2.2
757.43488	12.4
758.44421	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	757.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21978	12.8
59.01247	24.3
71.01236	36.7
75.00738	100.0
78.95763	25.5
80.96321	13.6
96.95890	19.2
115.79453	14.8
150.56554	14.6
150.57816	13.6
206.65392	13.0
207.10245	15.5
225.11185	17.6
277.21594	36.2
292.12143	15.6
294.21512	14.9
295.22348	16.0
528.04260	16.7
751.08765	15.3
757.40533	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03324	1.5
58.00456	0.3
59.01251	8.3
59.81873	0.2
62.16722	0.2
67.01765	1.1
68.99685	1.1
69.03320	1.1
71.01254	10.4
71.57185	0.3
72.99178	3.2
73.02818	0.9
75.00747	12.8
81.03334	0.5
83.01263	1.0
83.04894	0.4
85.02824	13.0
86.03124	0.2
87.00748	3.8
89.02311	2.1
91.03878	0.6
93.03334	1.3
95.01266	3.8
96.95895	4.6
97.02867	0.3
98.95465	0.5
99.00755	6.5
99.04330	0.2
100.01077	0.3
101.02315	0.5
103.00263	1.1
108.02104	0.2
109.02842	0.9
111.00772	0.8
111.04411	0.6
113.02335	15.1
114.02640	0.4
115.00276	1.5
115.03907	0.2
117.01817	1.9
117.85335	0.2
121.02846	59.6
122.03176	1.5
129.01836	1.6
130.99783	0.3
132.09924	0.2
133.04977	0.2
138.59177	0.2
139.00269	0.4
146.91446	0.2
154.34166	0.2
157.01344	0.6
166.14063	0.2
175.02411	1.3
189.03940	1.0
191.05531	0.3
192.11549	0.2
202.51208	0.2
207.05049	2.0
208.05502	0.3
231.05058	3.7
232.05406	0.3
249.06131	36.2
250.06555	1.3
303.09140	2.5
304.09540	0.3
353.09024	0.9
371.09811	100.0
372.10150	6.7
466.42026	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	757.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.8
59.01252	78.6
61.98703	5.5
71.01249	11.4
73.02824	2.8
81.03348	2.2
82.95301	4.3
83.02402	3.8
83.04881	4.2
85.02814	5.4
87.00729	3.7
88.98685	2.2
89.02328	3.5
93.03351	4.1
96.62482	1.6
96.95876	17.7
98.19824	4.0
99.00785	4.9
100.52839	1.8
101.02305	3.4
102.17843	1.8
103.00282	3.9
106.06484	8.1
109.06479	3.9
113.02333	4.6
122.05260	2.0
122.05991	11.2
134.06018	45.6
135.04448	2.0
137.02328	2.6
152.07085	4.0
158.06058	1.9
161.04478	1.7
163.07463	2.7
163.11203	5.5
171.10202	5.8
172.08051	2.1
173.04550	2.3
174.19978	1.7
181.12238	4.2
186.05489	2.2
191.05450	10.2
194.08160	4.4
199.13284	2.7
207.10222	14.7
209.11771	50.0
209.13768	2.6
210.12131	2.8
225.11359	18.0
227.03438	23.8
227.12839	12.0
235.08542	2.9
237.10248	4.7
238.10411	1.6
243.12213	4.9
249.06737	1.8
249.10254	6.5
250.07408	8.0
251.08159	3.4
253.09340	6.1
255.02940	27.2
256.03601	4.0
263.08282	6.5
264.09100	1.9
265.09891	14.4
275.08508	1.8
276.09076	4.3
277.09784	13.9
278.07016	13.2
284.03311	18.7
285.03943	21.5
290.06729	2.0
291.07761	6.5
291.11243	3.3
293.09323	78.0
294.09619	5.5
304.08575	3.8
305.09375	27.9
306.10004	5.9
319.07455	1.7
319.10690	7.9
337.08307	3.6
354.12402	2.4
356.46005	1.8
368.14005	2.1
372.16949	1.7
382.11771	4.0
383.12741	2.4
384.17191	3.0
396.13330	3.5
397.14075	2.3
398.15060	10.0
410.15070	6.9
412.16705	11.7
429.17691	2.5
438.14355	2.6
440.16272	25.0
441.16623	2.5
456.15686	2.7
458.17422	3.6
461.20218	3.3
472.18704	6.0
479.21280	4.6
484.14899	4.1
485.15030	1.9
486.20538	3.7
498.16479	2.7
500.18329	14.6
502.16309	3.3
514.20074	2.2
516.17700	2.2
526.16437	3.5
531.19635	1.9
532.20673	8.2
544.17261	100.0
545.17389	7.2
545.23303	2.5
546.22589	4.4
547.23102	4.1
558.19220	2.5
559.19568	33.1
560.19879	4.8
576.19757	25.6
577.24304	3.4
590.21729	2.5
591.22571	8.6
592.23254	2.9
605.23981	15.9
606.24420	2.0
635.30487	4.0
637.26471	10.5
649.23303	14.1
653.31110	3.3
669.28918	3.7
669.38641	2.7
671.32544	3.6
681.25665	95.8
682.25781	13.5
689.33801	8.7
713.28302	15.6
713.41187	5.1
721.36810	3.0
739.30627	2.0
757.30713	21.9
758.31030	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	755.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54356	0.7
78.26213	0.1
79.95595	1.5
79.96021	0.1
93.90406	0.1
96.95885	100.0
97.95807	0.4
103.77824	0.1
108.03775	0.1
150.64070	0.1
157.47429	0.1
201.43539	0.1
256.88916	0.1
263.38400	0.1
303.09045	72.0
304.09375	4.9
304.12943	0.2
304.37021	0.1
305.10660	0.1
400.43469	0.1
464.62671	0.1
675.47644	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	757.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	10.9
59.26682	0.3
60.93906	0.2
61.98416	0.3
61.98693	1.5
65.04552	0.3
67.29865	0.3
71.01263	1.3
71.57597	0.4
73.02819	0.5
76.16070	0.3
83.01244	0.3
83.04874	0.3
85.02795	0.5
87.00800	0.4
89.02327	0.4
96.95889	12.3
101.02326	0.6
106.06512	0.6
116.92760	0.4
125.63741	0.3
132.04417	0.6
134.06010	2.8
162.06808	0.3
169.12317	0.6
171.10194	0.7
177.09106	0.5
190.04990	1.1
191.05530	1.4
197.11775	0.4
198.09254	2.0
202.08707	0.4
207.10172	0.5
209.11800	1.8
211.13239	0.5
212.05859	0.5
213.06583	0.4
214.08711	0.4
223.08784	0.4
225.06760	0.4
226.07436	1.4
226.59297	0.4
228.08952	3.2
239.11844	10.4
240.12190	0.8
241.09782	74.3
242.10106	4.1
243.11313	1.4
249.10257	0.4
253.09358	0.4
255.11369	1.8
256.12143	40.0
257.12439	2.5
263.08490	0.4
277.09708	0.3
279.11349	0.7
300.11179	8.3
301.11432	0.8
315.13492	100.0
316.13797	8.6
323.10550	0.8
329.23447	0.6
330.16373	0.4
337.11942	2.3
383.12552	0.4
397.14053	5.1
398.14789	0.9
430.13812	0.8
593.37549	0.6
605.23779	0.5
610.36731	0.4
637.26410	2.0
638.27106	0.4
653.38855	0.9
713.41431	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	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.3
57.03313	0.5
58.00470	0.3
59.01250	9.8
69.03315	0.7
71.01249	3.8
71.04893	0.3
71.12803	0.5
72.99182	0.4
73.02818	1.0
80.02561	1.3
81.03322	1.0
83.01257	0.7
83.04900	4.6
84.02042	1.0
85.02833	1.0
87.00758	0.6
89.02314	2.4
92.30943	0.3
95.04896	1.0
97.02824	1.7
97.06419	0.3
101.02316	3.1
102.93282	0.3
109.06462	0.8
111.00763	0.4
111.08029	4.0
113.02324	2.1
119.03376	0.8
125.05956	0.8
125.09592	0.5
127.11156	0.4
135.08043	0.6
137.09592	1.0
143.03455	0.4
145.04955	0.6
151.11162	0.3
153.09061	0.4
153.12756	0.6
161.04446	1.5
161.35753	0.3
163.11185	3.4
164.11519	0.3
165.12770	3.4
167.10695	0.4
169.10896	0.2
169.12209	1.6
171.10178	5.3
177.12747	0.2
179.05463	0.8
179.10683	0.4
181.12230	1.4
183.13829	0.6
185.11772	0.4
191.10715	0.8
193.12230	0.5
195.13869	0.4
197.11761	19.1
198.12074	1.2
199.13376	1.9
201.11273	1.0
207.10155	1.7
209.11766	100.0
210.12105	5.3
211.13335	3.5
223.13373	0.5
225.11259	2.9
225.14745	0.3
226.11659	0.3
227.12839	13.8
228.13155	0.9
229.14523	0.3
235.08185	3.6
247.20593	1.2
251.16435	0.3
253.09264	13.6
254.09682	0.6
263.20105	1.0
265.18036	0.9
273.18506	0.8
275.20117	0.5
291.19656	15.4
292.19980	1.5
293.21295	4.7
309.20703	39.5
310.21054	3.2
311.21970	0.3
324.69861	0.3
445.20901	0.7
461.20502	0.4
463.21851	0.4
504.85681	0.3
519.33057	0.4
545.29559	0.7
737.40460	0.4
750.09082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72406	0.2
56.02165	0.2
57.03305	0.5
58.00475	0.4
59.01248	9.9
62.51831	0.2
63.64475	0.2
69.03318	0.6
70.32837	0.9
71.01250	3.4
73.02818	0.8
80.02551	1.0
81.03354	1.2
83.01245	0.6
83.04894	4.0
84.02039	0.8
85.02822	0.9
87.00744	0.7
89.02303	2.2
95.01279	0.4
95.04887	0.8
95.05457	0.2
95.65029	0.2
96.95860	0.3
97.02826	1.5
97.06464	0.5
98.19870	0.3
101.02320	3.0
101.49362	0.2
109.06473	0.7
111.08039	3.2
113.02340	1.7
119.03387	0.5
123.08046	0.3
125.02275	0.3
125.05974	0.4
125.09586	0.8
127.07542	0.5
129.01788	0.2
130.27377	0.2
135.08092	0.4
137.09621	0.5
143.03343	0.3
145.04956	0.6
149.09637	0.2
151.11180	0.3
153.12753	0.4
161.04453	1.4
161.09567	0.3
163.11195	4.4
164.11472	0.3
165.12770	2.7
169.12248	1.8
171.10168	3.5
179.05481	0.4
181.12265	1.2
183.13783	0.5
185.11751	0.4
191.10699	0.9
193.12270	0.6
193.15941	0.3
195.13844	0.4
197.11758	15.9
198.12071	0.8
199.13345	1.6
201.11244	0.4
207.10234	1.0
209.11760	100.0
209.73900	0.2
210.12099	5.1
211.13333	3.2
219.17404	0.2
223.13318	0.4
225.11255	1.7
226.11725	0.2
227.12830	13.1
228.13181	0.5
235.08192	3.0
247.20625	0.7
251.16487	0.3
253.09241	11.9
254.09608	0.5
263.20200	0.9
265.17978	0.4
273.18579	0.4
275.20050	0.5
279.19095	0.2
291.19644	13.0
292.19992	0.9
293.21164	2.6
300.02628	0.3
309.20691	31.4
310.21060	2.5
311.22266	0.3
317.12756	0.2
385.23578	0.3
432.87158	0.2
433.20438	0.2
445.20752	0.8
451.37534	0.2
461.20343	0.3
462.19608	0.2
463.21722	0.3
501.32367	0.3
545.29993	0.5
695.43024	0.5
755.42493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.0
57.03325	5.5
59.01250	52.7
60.42173	1.3
61.05564	0.9
61.98707	4.4
64.04625	1.0
65.96967	1.0
69.03314	2.0
71.01254	39.0
71.21278	2.4
71.21641	1.5
72.01577	1.1
72.99182	3.4
73.02817	14.5
78.95781	4.5
79.95617	1.9
80.96380	8.7
81.03327	1.6
83.01257	9.8
83.04882	1.4
85.02822	25.9
85.03337	1.5
85.99969	2.4
87.00728	6.1
88.39308	1.1
89.02310	5.4
93.03337	4.8
94.97968	2.7
95.01274	4.9
96.95892	10.2
97.02824	3.2
99.00742	7.0
101.02322	25.7
108.02037	1.7
109.02817	1.6
111.00751	9.4
112.01569	2.3
113.02328	19.5
119.03372	2.2
121.02838	2.0
123.04381	1.5
124.01508	2.2
125.02365	7.1
125.09627	1.4
127.42278	1.3
130.27943	1.0
133.02847	1.9
134.03633	3.0
134.06000	1.5
135.04416	3.2
136.01529	1.9
137.02356	2.4
141.01814	1.4
143.03398	3.7
146.03645	4.2
151.00256	2.0
151.03906	2.3
152.01057	1.3
153.01958	1.5
159.02927	2.7
161.02367	1.7
161.04463	3.3
161.05920	1.7
163.03964	1.4
164.04726	2.3
164.07120	1.6
164.98557	1.3
167.03326	1.3
173.04454	4.9
175.03929	1.6
176.01056	1.9
177.01833	1.3
178.99803	2.1
179.03383	1.3
179.07054	7.2
187.03874	1.1
187.09636	1.5
191.03590	1.8
191.05539	12.7
193.05003	2.3
201.11281	1.5
209.04533	1.8
209.11815	2.6
224.17255	1.2
225.00780	2.6
241.04987	2.0
255.02898	1.2
259.40112	1.1
264.84131	1.2
268.07144	1.2
269.08096	1.7
271.09573	1.3
297.24353	1.3
299.26025	2.5
300.02652	1.7
345.30017	7.0
371.11627	5.3
489.34457	7.2
507.35120	9.2
508.35367	1.7
651.39557	100.0
652.39917	16.5
669.40674	38.4
670.41077	6.5
711.41864	12.3
712.42279	3.1
755.31079	10.3
756.31586	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	755.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.3
63.02266	1.3
65.00208	1.5
71.35295	1.0
73.02824	0.9
79.44944	0.5
83.01265	1.7
84.26905	0.5
85.02823	1.6
89.02309	0.7
93.03355	2.0
94.20876	0.5
96.95898	16.3
96.96510	1.1
97.02792	0.6
98.95488	1.1
101.02312	1.3
103.54494	0.6
107.01290	3.7
109.02834	0.8
113.02357	0.5
117.03335	4.4
119.04932	2.5
121.02877	0.9
122.02371	7.2
125.02402	0.7
131.08575	0.6
132.02084	1.3
135.00768	1.8
135.04436	0.8
136.01591	0.6
137.02344	1.7
145.02870	13.5
149.05942	0.9
151.00269	7.6
152.00975	0.8
154.04106	0.6
159.04480	1.2
161.05981	0.8
163.00279	2.5
163.03899	3.2
164.01060	1.1
169.01343	2.3
169.06474	0.9
171.04474	0.9
173.04439	0.8
178.99747	2.8
183.04453	2.3
185.02397	1.0
185.05992	2.4
187.03908	2.7
189.05499	0.9
191.04002	0.6
191.05528	3.7
191.07072	0.8
195.04515	0.6
199.04016	0.7
200.04613	0.8
211.03844	3.5
213.05524	1.7
227.03452	46.5
228.03845	2.8
229.05031	5.8
239.03407	1.0
241.04956	1.1
255.02963	88.8
256.03555	12.8
257.04486	5.5
265.06805	0.5
283.02545	4.9
284.03253	100.0
285.03998	60.8
286.04282	3.0
289.11084	4.7
290.11444	0.7
305.10599	1.1
339.12341	0.9
367.10242	1.9
429.08075	1.7
593.12762	1.7
609.14551	18.3
610.14929	1.7
755.18182	54.7
756.18689	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	753.406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03321	1.4
58.00483	0.5
59.01246	14.8
68.49925	0.5
69.03336	1.4
69.29079	6.1
71.01248	7.8
71.04897	0.8
72.99184	0.7
73.02822	1.9
78.95768	0.6
80.02555	2.5
81.03336	3.5
83.01257	2.3
83.04894	8.1
84.02029	1.1
85.02831	1.9
87.00761	1.2
89.02319	4.1
93.03313	0.8
95.01266	1.2
95.04926	1.9
96.95899	0.7
97.02828	5.4
97.06459	2.8
98.20493	1.1
99.00787	1.4
101.02319	6.3
106.04164	0.8
107.04922	0.6
109.06473	19.2
110.03621	0.6
110.06868	0.9
111.00726	0.7
111.04424	1.0
111.08060	3.9
113.02319	3.8
115.03776	0.5
119.03381	1.3
121.06483	1.5
123.04422	1.3
123.08044	1.0
125.05982	1.2
125.09608	3.7
130.42317	0.6
133.50076	0.6
135.08023	2.9
136.05232	1.1
137.09605	2.1
142.02563	0.6
143.03362	0.9
149.05949	0.7
151.00319	0.6
151.11160	0.7
161.04446	2.2
161.09639	1.7
163.11203	15.7
164.11533	1.0
164.73289	0.6
165.09116	0.8
165.12769	3.8
165.87460	0.5
169.12238	2.2
171.10187	4.0
173.09724	0.6
179.10683	1.8
181.12288	3.7
183.13809	0.7
185.11702	4.1
189.09184	1.0
191.05472	0.6
191.10674	1.3
191.14307	3.2
197.11757	18.1
199.13303	1.8
207.10197	44.6
208.10567	3.0
209.11766	100.0
210.12094	5.7
211.13336	3.2
223.09702	1.4
225.11267	21.7
226.11630	1.6
227.12831	12.4
235.08131	5.1
237.11258	2.8
243.02879	0.9
243.12427	0.8
245.19041	7.1
247.13260	0.8
247.20555	1.3
249.14870	0.6
253.09256	18.6
253.11884	1.1
254.09511	1.2
255.02856	1.8
263.20154	2.2
265.18250	0.6
271.02383	2.6
271.16904	1.0
289.18112	29.1
290.18359	2.6
291.19659	12.8
292.20074	0.9
293.21286	2.0
299.15030	0.8
300.02740	4.3
301.03473	2.1
301.15036	0.6
307.19141	24.7
308.19412	2.2
309.20700	26.9
310.21054	2.1
327.19565	0.8
344.53207	0.6
401.23431	0.6
443.19043	1.6
445.20892	1.2
446.20895	0.8
461.20288	6.7
481.30023	0.8
543.28131	0.9
545.29694	1.0
591.22302	0.9
605.55450	0.7
637.31940	1.6
735.39557	2.3
753.28156	1.5
753.40515	18.5
754.40533	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	753.407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.5
58.00459	1.0
59.01242	13.4
61.98700	1.4
69.03323	1.6
70.31970	2.9
71.01247	8.7
72.99173	1.5
73.02799	1.6
75.00742	26.5
76.01083	2.6
77.01162	2.1
80.02551	1.7
81.03361	3.8
83.01263	3.0
83.04887	6.4
84.02013	1.4
85.02808	3.0
87.00744	1.3
89.02315	5.1
95.04892	1.2
97.02811	5.6
97.06458	3.7
99.00758	1.3
101.02321	8.1
107.04896	0.9
109.06469	19.8
110.03570	1.2
111.08027	5.4
113.02300	3.8
119.03403	1.9
121.02855	0.8
121.06448	1.4
123.04384	2.7
123.08012	1.4
125.09611	3.1
129.51392	0.7
135.08070	3.4
136.05173	1.0
137.09612	1.6
142.02614	1.2
145.04958	0.8
151.11179	1.9
158.09940	0.7
161.04488	3.3
161.09627	2.4
161.31122	0.7
163.11194	16.2
165.12772	3.8
169.12245	2.6
171.10152	3.9
179.05568	1.1
179.10750	2.1
181.12375	4.6
183.13731	1.3
185.11746	3.4
189.09146	2.2
191.10698	1.2
191.14328	3.7
193.12253	0.9
197.09955	1.4
197.11771	29.2
198.12120	2.2
199.13341	2.7
207.10202	57.3
208.10493	2.8
209.11763	100.0
210.12141	7.2
211.13242	4.1
225.11272	26.0
226.11566	1.1
227.12837	15.4
235.08080	6.5
237.11298	0.9
243.12122	0.8
245.19089	7.0
249.14929	0.9
253.09245	23.8
263.20108	4.9
271.16782	0.9
277.21597	0.9
289.18079	28.8
290.18411	2.5
291.19635	11.9
293.21130	2.5
307.19138	29.3
308.19415	3.1
309.20679	40.6
310.20944	3.0
316.11694	0.8
350.91037	0.8
398.13834	0.9
419.24347	1.2
443.19064	3.4
445.20935	1.0
461.20190	7.2
462.20233	1.2
499.30682	1.1
504.97256	0.8
510.11084	0.9
517.32312	1.1
637.32196	1.5
672.80280	1.0
735.39313	2.3
753.40540	29.0
754.40674	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	753.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.4
59.01252	0.6
60.99189	1.0
64.23245	0.2
65.03844	0.2
67.01759	2.9
69.03333	0.8
69.59381	1.5
70.06788	0.2
71.01254	1.4
73.02816	0.2
79.07951	0.2
81.03335	0.7
83.04882	0.5
85.02825	3.8
87.00754	3.8
93.03336	20.2
94.03655	0.6
96.95886	0.4
98.19835	0.4
99.00755	0.4
99.04367	0.4
101.02323	0.3
101.81546	0.2
109.02843	0.7
111.03709	0.3
111.04398	3.2
115.03869	0.2
119.04908	7.8
127.03899	1.1
129.01836	0.5
137.02376	1.0
143.03464	0.3
145.02870	1.5
150.34221	0.2
155.03395	1.4
163.03911	7.6
164.04263	0.4
171.02945	0.4
173.04471	24.5
174.04774	0.9
191.05536	100.0
192.05882	2.5
337.09271	50.1
338.09625	4.0
414.79233	0.3
529.54230	0.2
665.12634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.6
57.55396	0.4
59.01240	1.3
60.72501	0.3
60.99165	1.4
63.54045	0.3
67.01758	4.4
69.03320	1.0
71.01240	2.9
81.03321	1.2
83.04891	0.6
85.02818	3.9
87.00747	5.9
88.89500	0.3
93.03331	28.9
94.03654	0.8
96.95883	24.6
98.19733	0.6
99.00751	0.8
99.04387	0.7
101.02300	0.4
109.02798	0.8
111.04410	3.8
115.03927	0.4
117.03320	0.6
127.03910	0.8
129.01808	0.8
134.02649	0.7
134.03630	9.7
135.43690	0.3
137.02342	1.4
149.06006	0.7
155.03374	1.7
171.02841	0.4
173.04463	30.0
174.04813	0.6
189.03937	0.3
191.05531	100.0
192.05881	3.3
193.04996	6.9
207.05063	5.2
303.09042	18.1
304.09375	1.2
306.50919	0.4
329.11499	0.3
353.08707	0.7
367.10315	52.5
368.10632	4.1
394.27661	0.3
544.55151	0.4
683.19867	0.3
738.76495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	66.4
61.98703	98.9
71.01255	58.8
71.01653	2.1
71.04884	2.4
72.01599	2.0
72.99184	2.6
73.02810	6.1
75.00725	2.3
78.91776	2.4
78.95779	3.2
79.95612	3.9
80.02539	2.5
80.91548	4.1
80.96397	7.8
81.03329	5.1
82.95978	2.7
83.04909	6.5
85.02817	10.1
87.00760	4.4
89.02324	5.1
93.03345	9.2
95.01216	2.0
95.04890	2.5
96.95882	15.5
97.02807	4.0
97.06470	2.2
99.00771	6.3
101.02304	8.7
108.02011	2.2
109.02847	3.3
109.06467	11.9
113.02317	7.1
116.92702	3.0
122.79601	2.1
125.05985	2.5
125.09588	4.3
133.02831	4.8
135.04411	7.7
135.08009	2.6
137.02301	2.6
144.78629	1.8
151.00294	2.0
151.03973	2.2
152.96683	1.8
159.04318	2.0
161.04460	3.2
163.11183	15.2
165.12776	2.4
171.10201	18.1
173.04449	12.0
177.01784	2.2
179.10643	1.7
181.12216	9.0
181.43797	1.9
191.05544	24.9
197.11751	6.9
199.13351	7.4
201.11227	5.8
207.10196	31.7
209.11771	100.0
210.12111	8.4
225.00690	3.4
225.11285	34.3
227.12862	12.6
230.03322	2.3
230.05743	2.0
235.08110	2.6
243.12230	5.5
244.77745	2.0
247.09544	4.5
253.09161	9.7
289.17850	2.6
307.18961	3.6
417.22787	2.9
461.20340	5.9
479.21497	2.7
495.29706	2.6
591.96674	2.2
671.32806	6.4
672.33154	3.0
681.27350	2.7
689.33752	8.4
709.40619	2.6
721.36414	20.9
753.30695	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	751.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	17.9
61.98415	1.5
61.98703	19.2
64.31243	1.2
69.03308	1.2
69.94866	1.1
71.01257	10.1
73.02806	3.7
78.95766	1.5
80.96399	1.5
81.03319	3.3
83.01254	2.8
83.04901	7.3
83.80766	1.0
84.02050	1.8
85.02811	5.9
87.00735	2.0
89.02314	5.7
93.03329	3.3
95.04902	1.1
96.95895	11.8
97.02825	1.3
98.20543	2.6
99.00765	1.8
101.02322	9.2
108.20398	1.2
109.02823	1.2
111.00729	1.1
111.04474	1.0
113.02338	5.2
119.03365	1.1
125.02332	2.2
135.04422	2.2
135.08008	1.6
137.02292	1.6
140.32584	1.2
140.89679	1.0
142.63365	1.1
151.11179	2.2
153.12793	1.6
161.04459	3.0
163.11198	4.2
165.12750	3.4
169.12262	36.0
170.12593	1.6
171.10204	1.5
172.73701	0.9
173.04472	3.2
185.11572	1.2
191.05553	8.9
191.10735	1.7
197.11763	67.1
198.12146	4.3
201.11145	1.1
209.11766	100.0
210.12117	4.6
227.12886	6.9
247.40237	1.1
253.09244	7.3
307.82596	1.1
614.79932	1.1
647.36694	1.4
649.38141	2.0
665.37543	1.4
687.32257	29.0
688.32910	4.2
719.34930	48.0
720.35437	10.1
733.31177	1.6
751.37683	52.2
752.38190	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	751.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	4.1
59.01248	30.4
60.71063	1.2
61.98699	17.7
65.74914	1.3
69.03336	1.9
71.01246	19.0
72.99184	1.3
73.02810	3.3
78.95756	1.5
79.95600	1.6
80.96388	5.6
81.03345	2.6
83.01267	2.6
85.02827	5.2
87.00742	4.8
89.02318	16.6
96.95869	4.2
97.02831	2.6
99.00741	1.6
101.02322	15.6
109.06464	2.4
113.02319	8.7
113.09600	14.4
119.03372	5.2
120.26005	1.1
125.02352	5.6
143.03362	2.6
161.04468	2.5
164.98520	1.3
167.03476	1.6
167.10617	1.6
171.10146	5.1
179.05469	2.7
179.10606	2.2
195.13751	3.4
207.10089	2.7
209.11710	8.0
211.13319	1.7
223.09767	1.4
225.00528	1.3
225.11168	3.8
227.12770	2.6
229.82220	1.4
235.08228	5.9
249.22310	1.8
253.09332	3.6
287.16437	1.7
289.17990	1.9
293.21225	100.0
294.21542	10.3
397.13464	58.0
397.17657	0.8
398.13971	4.6
415.14572	26.3
416.14523	1.9
434.20667	1.3
647.14899	1.3
656.74573	1.1
691.35535	2.7
733.37555	1.8
751.30475	5.6
752.31433	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	751.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.2
59.75709	0.2
68.57756	0.3
71.01257	1.6
72.99171	2.5
73.02826	0.4
75.00744	100.0
76.01073	0.9
81.03338	0.3
85.02842	0.6
87.00759	0.4
89.02316	1.4
95.04892	0.3
96.95899	0.5
97.02834	0.4
98.95480	0.2
101.02339	1.6
109.06473	0.6
113.02346	0.5
119.03389	0.5
125.02382	0.3
143.03447	0.3
161.04488	0.3
171.10219	0.4
179.05522	0.3
195.13722	0.3
197.11768	0.8
207.10193	1.6
209.11781	0.9
223.13353	0.6
224.13762	0.3
225.11340	1.3
225.13307	0.3
235.08232	1.2
253.09311	0.8
277.21710	3.1
278.22171	0.4
289.17963	1.1
290.18774	0.3
291.19553	0.5
307.19193	0.8
397.13513	7.2
398.13858	0.5
399.11362	0.3
415.14505	2.2
461.19995	0.4
522.40369	0.3
675.36176	0.3
696.77307	0.3
733.38379	0.3
751.39648	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	751.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
61.98706	0.2
69.66817	0.5
69.67227	0.4
71.01250	1.1
72.99179	3.0
75.00743	100.0
76.01080	0.9
80.53699	0.1
83.01215	0.2
85.02820	0.3
87.00786	0.3
89.02314	1.1
97.02821	0.3
100.91590	0.1
101.02311	1.1
109.06482	0.2
113.02333	0.4
119.03419	0.3
125.02340	0.4
161.04449	0.2
164.46828	0.1
171.10188	0.1
179.05553	0.3
200.49226	0.1
207.10162	0.2
209.11755	0.3
221.11642	0.2
225.11371	0.3
235.08215	0.8
239.12839	0.1
253.09338	0.3
276.61230	0.1
277.21683	3.4
277.46442	0.1
278.22061	0.3
289.18155	0.3
293.21106	0.2
305.08704	0.2
307.19312	0.1
312.12363	0.3
397.13489	5.7
398.13849	0.5
415.14539	1.9
416.15106	0.2
743.64856	0.1
751.39313	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	747.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	26.7
60.18524	0.7
61.98690	0.8
63.02264	1.9
65.00188	2.1
71.01262	3.9
71.57841	1.4
73.02812	1.2
85.02836	1.7
89.02325	1.0
89.06644	0.8
92.95844	0.7
93.03332	2.0
95.01330	0.9
96.95897	8.8
97.02840	0.8
98.95438	1.5
101.02334	1.8
106.06505	4.1
107.01264	5.9
108.04418	1.4
111.00806	1.0
113.02304	1.5
119.03318	0.9
120.04402	0.8
122.05998	7.9
122.77637	0.9
123.00710	0.9
124.01547	7.9
124.03927	6.0
124.07552	4.0
125.02363	3.8
132.04443	13.4
133.05183	2.4
134.06012	28.7
135.04399	1.7
136.03926	3.0
136.07561	1.4
137.02307	0.7
144.04431	1.4
146.06042	4.8
148.92691	0.8
150.03058	1.1
150.05525	3.6
151.00278	14.9
151.03940	0.9
152.01062	19.2
152.07083	9.0
153.01768	1.5
158.06036	2.1
159.04376	0.9
159.06815	1.5
160.07561	1.8
161.04500	0.7
162.05498	2.5
165.04181	2.9
168.06575	1.3
169.01340	4.6
173.04468	2.3
173.05928	1.2
176.03421	4.7
178.05005	2.8
178.99780	20.4
179.03485	1.1
187.07498	1.8
189.05466	3.9
191.05614	5.8
194.08174	1.0
196.06090	39.0
197.06403	2.1
200.04755	1.5
201.05458	1.2
209.11751	1.7
214.12262	1.6
215.07083	16.2
215.11856	1.8
226.12346	1.6
227.11938	0.8
229.09749	1.2
236.09445	1.1
237.10321	2.5
241.05043	2.9
241.09700	4.0
243.06630	2.8
251.08328	0.9
251.11902	3.8
252.12546	1.8
253.05241	1.0
253.09711	1.1
255.07642	1.3
255.11522	1.6
257.12894	11.9
258.13211	1.6
265.09848	2.7
266.10172	0.8
267.11237	0.8
269.04425	0.9
269.09500	2.0
269.12924	6.6
278.10541	0.8
279.11377	12.8
280.12189	5.3
281.12921	6.7
283.10779	4.7
283.14410	2.6
294.10135	1.0
295.10873	1.4
299.01892	1.2
300.02859	1.6
301.11942	3.9
311.01938	1.2
311.10233	1.6
312.11041	2.8
323.10208	3.1
327.09805	5.7
328.10315	1.2
336.06323	1.0
339.13245	0.9
361.07074	1.8
378.07309	1.1
379.08231	7.2
383.12518	16.2
384.12946	1.4
404.19742	8.2
448.18796	5.7
464.21826	2.2
466.19452	1.1
508.20889	100.0
509.21210	13.5
520.21027	3.1
534.19177	1.1
536.20392	14.1
537.20288	2.1
547.47662	1.1
649.27075	1.0
705.20050	2.1
747.21387	34.7
747.34839	1.8
748.21234	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	745.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03688	1.9
57.03316	7.7
58.00453	2.0
59.01250	100.0
65.33282	2.1
66.39291	1.7
68.99688	2.5
71.01263	19.4
72.99191	2.9
73.02818	18.4
79.80267	2.3
83.01248	22.1
83.04909	2.3
85.02826	9.9
87.04401	4.4
89.02315	2.3
93.03320	3.9
96.95889	14.5
97.06404	2.1
97.55459	2.1
101.02305	13.7
106.06534	5.1
109.06501	2.4
111.08153	2.1
113.02318	6.3
121.02841	6.2
122.05981	7.2
123.04414	2.0
125.02346	2.3
125.05985	2.6
132.04448	2.8
134.06013	26.6
135.04430	3.7
136.07558	3.0
139.07452	3.7
139.11192	24.8
146.06021	3.1
147.04416	2.2
149.09592	2.4
151.07507	3.1
151.11244	3.8
152.07066	3.8
155.10832	3.3
161.02307	3.1
163.11153	2.1
165.09111	5.9
169.12245	9.2
171.10172	9.8
173.04504	6.2
175.03935	5.7
179.03447	2.2
179.10680	4.9
180.06665	4.7
181.12273	9.4
183.10188	36.8
188.07097	12.0
191.05576	13.0
192.05884	2.4
196.09483	2.0
197.11723	5.1
201.11343	4.2
209.11729	15.6
215.18968	2.3
216.33952	2.2
225.11346	34.2
226.11548	2.9
227.11755	3.9
229.09715	7.3
239.12572	2.5
243.12358	31.1
249.11220	5.6
251.11938	4.2
253.09543	8.9
257.12836	2.4
263.07101	4.7
265.09778	3.8
267.06635	3.9
267.12158	4.0
269.08228	6.1
277.09790	5.9
279.06857	7.3
279.11240	4.4
281.08197	14.3
283.09717	5.2
285.13287	6.5
291.06512	3.1
291.12408	8.2
292.07809	2.5
293.08328	3.5
294.09198	7.4
295.10934	18.8
296.10669	4.4
297.07733	30.5
297.11017	5.2
298.07932	2.9
305.09390	4.5
307.10818	14.1
308.10782	6.8
309.04361	4.2
309.07791	51.7
309.11310	9.3
309.72067	2.2
310.08234	7.1
312.10019	30.7
313.10693	5.7
321.12442	2.9
323.09363	9.7
324.09955	37.1
325.10614	3.9
327.12198	78.2
328.12720	6.8
339.12369	76.5
340.12747	3.6
387.16562	30.9
388.17139	3.4
414.17929	3.8
442.17947	10.6
486.16711	2.5
492.68503	2.5
502.19772	30.2
503.20181	3.0
539.28436	7.7
546.18823	76.9
547.19269	12.7
569.24170	4.8
578.21539	35.1
579.22107	3.9
587.85846	2.6
657.25513	2.5
701.34497	4.9
727.30475	3.7
745.30811	79.7
745.43616	4.8
746.31439	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	745.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04401	0.9
56.81180	1.0
57.03334	1.8
59.01250	48.3
61.98696	1.1
71.01256	6.1
71.35092	1.7
78.27677	0.8
80.04926	2.7
81.34906	0.8
83.01254	2.3
83.04939	0.8
85.02831	3.3
89.02322	1.9
93.03361	1.8
94.06503	1.5
96.95892	4.4
98.87616	0.9
99.04332	1.1
101.02338	4.4
106.06512	9.4
107.03662	2.4
108.04413	4.6
108.08083	1.2
109.02876	0.9
110.33812	1.0
113.02334	2.1
113.34587	0.8
120.04417	3.1
120.08098	2.7
121.05236	4.2
122.06010	30.1
132.04431	4.5
132.08156	1.4
134.06012	41.3
134.43765	0.8
135.04398	2.3
135.06306	1.8
136.07574	9.0
139.11198	1.6
144.04483	1.2
146.06024	4.4
148.05150	1.7
148.07567	2.1
152.07094	9.6
158.05971	1.7
159.05592	0.9
160.06299	7.0
160.07587	1.9
161.02419	1.2
162.09183	6.7
162.42744	0.9
163.03947	1.9
165.05515	0.9
171.10135	3.9
173.04456	3.1
178.04980	1.5
179.00063	4.9
180.06563	14.9
183.10172	2.7
188.06950	1.0
190.04993	1.7
191.05553	6.2
192.05978	0.9
194.08095	1.3
196.11357	0.9
201.11266	2.5
206.08134	1.4
207.04988	1.3
209.11801	7.8
211.08658	3.4
213.10252	29.0
214.10565	1.8
223.12320	1.6
224.09499	2.0
225.10400	4.3
226.11047	3.3
227.12703	2.1
235.08453	1.1
237.10272	3.7
239.08264	6.3
239.11842	11.8
241.09891	1.0
241.13420	20.3
242.13705	1.8
243.12303	2.2
249.10390	1.8
250.11131	1.0
251.08179	4.2
251.11876	7.0
252.08839	1.8
252.12558	3.0
253.09737	6.4
253.13348	2.2
263.08228	1.8
265.09946	5.1
265.13464	2.8
266.10577	2.2
267.11609	7.7
267.14871	10.7
268.12122	4.7
268.14951	1.4
269.12912	2.7
277.09903	1.7
277.13422	1.5
278.10605	3.0
279.08151	1.3
279.11392	16.0
280.12042	7.9
281.12820	5.2
285.12445	65.4
286.12875	6.1
293.12930	1.9
294.10114	1.6
294.13715	1.7
295.10876	3.8
297.07657	1.1
309.07635	1.8
311.10486	1.1
311.14084	1.0
312.11261	4.9
313.12479	4.4
316.14661	1.8
324.10046	2.0
327.12189	4.6
339.13278	9.3
342.12381	1.6
342.16199	1.1
356.13635	1.3
358.15543	4.1
372.17194	2.1
386.14810	4.7
386.19168	2.3
397.14102	2.9
398.18707	2.3
400.16431	7.8
415.18784	4.3
416.19446	1.9
418.17508	1.1
419.40216	1.1
431.18005	1.3
432.19131	3.4
433.20154	1.1
442.17761	2.0
450.20621	1.3
459.18130	7.1
460.18781	9.5
461.19324	1.3
465.21817	1.0
474.20416	7.4
475.20651	1.5
478.19534	1.9
492.21136	2.5
502.19815	1.2
506.23129	1.0
519.20135	12.2
520.20819	16.9
521.26575	5.3
534.22430	100.0
535.22845	16.1
539.28497	5.2
546.18811	3.2
565.24518	23.7
566.24561	4.2
578.21368	1.8
581.27783	4.6
582.26807	1.2
583.25812	1.3
597.27600	1.5
625.26691	53.4
626.26855	13.2
657.29272	78.0
658.29675	15.3
669.25531	2.6
683.27100	1.9
727.31500	1.3
745.31219	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	745.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16127	2.6
57.91348	2.8
59.01252	79.9
61.98715	2.7
70.63043	2.6
71.01241	15.1
72.99199	3.8
74.46805	2.2
74.85876	2.4
75.25291	2.3
80.04923	5.9
83.04914	3.5
84.31033	2.3
85.02827	9.4
86.58548	2.3
87.00788	2.8
89.02339	6.9
90.24770	2.3
93.03355	6.0
96.95885	24.7
101.02324	8.5
106.06519	10.2
108.02004	3.0
108.04450	9.0
110.57127	2.5
111.04373	3.5
113.02332	7.1
116.92736	4.1
118.97950	3.5
119.03415	2.4
119.04924	3.3
120.08050	2.6
121.05245	3.6
122.06015	31.4
125.02332	4.1
132.04469	6.9
134.06018	56.2
135.04424	8.1
136.07587	10.8
137.02417	6.8
146.06032	4.7
148.07527	3.4
152.07089	8.9
155.10579	6.4
160.06329	5.4
160.07596	3.5
161.02420	3.3
161.04315	2.5
162.09119	6.0
166.02646	3.8
166.51062	2.5
173.04494	5.5
176.07401	2.5
179.03419	4.3
180.06590	13.2
188.07101	7.6
191.05511	18.5
194.08133	3.7
199.09560	2.5
201.11288	4.1
209.11745	5.3
211.08717	5.5
213.10216	29.2
223.08813	2.8
224.09520	3.1
225.10286	9.0
227.03384	4.6
227.12785	4.1
237.10387	5.3
239.08321	4.0
239.11951	10.8
241.13405	21.4
249.10413	3.3
251.08237	5.4
251.11905	7.2
252.08626	3.0
253.09767	7.7
255.02991	8.6
263.08218	3.4
265.09790	4.3
267.11411	10.7
267.15079	10.2
268.12115	4.3
269.12961	5.7
279.11414	22.8
280.12100	8.7
281.12979	5.7
284.03268	8.9
285.03989	3.8
285.12433	59.9
286.12698	4.3
287.15170	2.5
295.10889	9.7
301.12012	2.8
305.09412	4.3
307.10904	6.8
312.11209	3.0
313.11694	4.5
339.13345	8.9
357.14334	3.0
361.39227	2.9
374.18964	3.4
386.18994	5.7
400.16638	10.9
415.19092	5.1
432.19196	4.1
442.17715	5.7
459.17935	9.1
460.18958	10.1
474.20404	10.0
492.22012	3.1
502.19604	9.9
519.19855	9.0
520.20898	22.3
521.20642	5.4
534.22424	86.4
535.22705	10.5
539.28632	11.5
546.18848	28.8
547.18890	4.2
565.24854	17.9
566.24988	3.8
572.19287	2.7
578.21497	30.7
579.21625	5.4
581.27655	3.9
583.27509	4.9
597.27704	3.6
625.26740	50.8
626.27228	9.4
657.29285	100.0
658.29480	19.3
683.28137	2.9
745.27112	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	745.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	27.9
69.26680	3.0
69.27103	7.3
71.01256	2.6
72.91729	0.9
82.83806	0.9
83.04897	3.0
85.02828	2.0
89.02287	1.4
89.73460	0.9
93.03323	1.1
96.95889	2.0
98.20581	2.2
101.02350	1.5
106.06495	3.0
107.03671	1.2
108.04415	2.1
111.71701	1.0
113.02325	1.7
120.04446	1.2
122.06013	10.7
127.03907	7.7
128.44518	1.1
132.04382	1.6
134.06007	20.3
136.07541	4.8
139.07527	1.5
146.06026	2.4
152.07048	4.5
160.06319	2.0
160.07542	1.7
162.05548	1.5
162.09099	3.3
165.05443	2.0
170.60892	1.1
171.10158	1.2
180.06581	7.6
184.80305	1.2
191.05525	4.3
194.08150	1.4
199.09691	1.3
209.11824	10.0
210.12045	4.6
211.08763	2.3
211.12192	1.3
213.10316	8.4
225.10318	3.7
226.10997	1.7
227.12894	1.2
234.87398	1.3
237.10245	2.5
239.08163	3.6
239.11813	2.1
241.13472	6.1
242.51253	1.1
245.55801	1.2
249.10284	1.4
251.08124	3.2
251.11841	2.7
253.09695	7.3
263.08011	1.4
265.09869	2.8
266.10385	1.6
267.11353	3.2
267.14984	1.6
268.12054	4.2
277.09970	1.2
278.10577	2.0
279.11310	7.3
280.12051	5.4
281.12866	3.1
283.14572	1.5
285.12436	16.8
287.77100	1.0
293.12946	1.8
294.10318	1.4
294.13718	2.3
312.11179	2.9
316.43704	1.1
339.13358	1.9
372.17300	1.8
386.14990	2.3
400.16638	4.5
415.18948	4.7
425.17148	1.1
432.19220	1.8
459.17963	7.3
460.18622	4.4
474.20352	4.4
492.21036	1.9
519.20215	11.5
520.20752	10.5
534.22443	100.0
535.22815	15.4
565.24646	4.8
597.36566	1.2
624.94098	1.2
625.26721	11.0
626.26758	2.2
651.24304	1.8
657.29230	19.0
657.39502	1.3
658.29559	2.7
669.25897	2.0
683.26868	1.9
701.40778	2.1
707.55731	1.1
745.36182	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	745.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	37.4
61.98713	3.8
71.01260	5.4
71.57907	1.6
73.02790	1.9
83.04893	3.0
85.02850	4.0
88.98681	1.9
89.02320	2.5
93.03346	1.9
96.95898	5.7
97.84663	1.4
101.02318	1.9
101.05908	1.4
106.06516	7.5
109.37724	1.2
113.02299	2.5
120.08100	2.9
122.06007	8.6
125.02332	1.9
127.03941	8.1
133.02887	1.5
134.04991	2.8
134.06015	55.1
135.04427	1.4
135.06361	2.7
136.07574	3.3
139.07486	1.5
148.04027	1.4
152.07111	2.0
163.11200	1.5
171.10155	3.2
173.04541	3.4
179.03545	1.5
191.05540	7.9
201.11255	6.1
209.11818	6.7
210.12112	1.6
211.13387	1.8
253.09579	6.5
254.10585	10.7
265.09940	2.0
266.10620	3.0
267.11362	3.1
272.24863	1.5
278.10651	1.8
279.11438	1.7
280.12216	4.3
295.10861	4.3
297.08267	1.3
298.09595	3.6
335.61542	1.6
344.14142	2.3
355.12817	2.2
358.15939	1.7
371.12827	2.8
372.13318	3.0
373.17911	3.0
386.10181	2.3
386.14993	14.6
387.15646	3.9
400.16614	6.3
401.17404	46.8
402.17850	8.4
445.16412	5.1
461.19669	4.6
505.18613	17.5
506.19174	2.6
513.30200	1.8
523.23535	8.1
567.22461	6.9
583.25769	5.9
597.35651	1.5
601.26959	3.1
625.25989	3.7
627.24609	100.0
628.25037	20.1
651.24402	1.6
669.25287	6.7
745.38684	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	745.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.2
59.01251	100.0
61.98689	4.7
69.46203	16.5
71.01253	10.9
73.02808	2.8
77.65713	1.5
80.04922	2.1
83.04895	4.4
85.02808	5.4
87.00775	2.2
89.02329	3.7
93.03314	2.7
96.95867	12.2
101.02330	4.3
104.04913	2.9
106.06518	14.9
107.58138	1.9
108.04417	2.5
111.04394	2.1
113.02347	4.2
122.06008	18.2
124.03900	1.9
127.03922	11.9
132.04456	16.6
134.04997	3.7
134.06021	75.6
135.04395	3.9
135.06311	3.0
136.04004	2.7
136.07613	5.0
138.12590	1.7
139.07504	2.1
150.05528	4.3
152.07127	8.8
158.06021	4.6
162.05446	2.2
162.09039	2.2
165.05476	1.9
171.10135	3.3
173.04468	4.7
176.03406	4.5
180.06638	3.6
188.03455	2.6
191.05548	10.0
194.08128	4.1
197.11826	2.8
199.09741	2.6
201.11354	10.8
209.11813	5.2
211.08719	3.1
213.10327	8.6
224.09395	3.7
225.10202	3.5
226.07367	2.5
235.08597	2.4
236.09480	2.2
237.10199	4.2
239.08209	2.8
239.11887	8.9
240.12274	2.9
241.09789	19.9
241.13419	6.4
242.14046	1.8
249.10239	5.2
251.11990	11.7
252.12592	2.0
253.09584	4.8
253.13330	2.7
254.84286	1.8
255.11409	9.0
256.12119	12.6
257.12927	2.4
263.08438	2.0
263.11829	2.4
265.09711	4.1
265.13354	8.9
266.13931	4.4
267.11432	3.1
267.14572	2.8
277.09735	5.6
278.10590	8.4
279.11411	36.1
280.11856	3.3
281.12851	3.9
285.12460	22.9
290.55881	2.0
291.11188	3.1
295.10724	2.7
297.12289	3.3
300.11151	12.0
301.11667	2.9
307.19427	2.4
309.20755	3.6
313.11862	2.6
317.11133	2.4
323.10425	2.5
327.21497	2.9
336.83755	2.2
339.13599	16.4
341.11539	2.1
342.12427	3.3
343.13232	3.4
344.14011	6.8
356.14029	8.1
357.14648	4.2
358.15533	3.6
370.15555	7.7
372.13040	3.0
372.17175	10.2
373.17825	2.2
383.12421	10.8
384.17157	5.0
385.18103	3.9
388.16605	5.9
398.18723	6.3
400.16602	3.8
459.22034	2.9
460.18777	7.4
461.19818	2.0
463.21640	2.6
491.20734	2.6
502.19485	2.7
505.22757	2.8
517.22351	3.2
519.23987	2.8
520.24878	6.1
529.18951	3.5
535.23633	9.8
536.24426	2.5
541.30151	7.3
553.24445	2.3
561.20758	4.0
565.23907	2.4
567.22742	2.3
568.21057	2.3
576.19604	9.7
579.23108	4.4
580.26862	26.0
581.26984	8.4
583.25226	2.2
591.21991	3.7
595.25800	2.7
597.36719	2.9
623.25238	11.3
624.25812	56.8
625.26349	24.9
626.26892	2.8
627.23962	3.4
637.26563	2.2
651.24420	7.3
657.27063	3.7
657.38922	2.3
669.25757	6.6
681.25928	5.7
683.27612	2.5
701.28223	20.5
701.39069	5.1
702.28662	5.2
713.28186	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	743.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26923	0.3
57.03298	0.3
59.01250	6.4
61.98706	0.5
63.28612	0.3
71.01252	1.2
71.58409	0.3
73.02816	6.8
85.02814	0.8
89.02291	0.3
93.03323	0.5
96.95884	1.2
100.05316	0.3
101.02326	0.6
104.04923	0.4
111.18684	0.3
120.01934	0.2
120.04454	0.4
122.05994	1.2
132.04440	5.1
134.06020	3.5
135.04439	0.3
144.04478	0.6
156.10867	0.3
162.05518	0.4
171.10150	0.5
173.04393	0.4
176.03447	2.1
188.03494	0.3
191.05524	1.4
194.08234	0.3
198.09174	4.7
199.09523	0.6
209.11775	1.7
210.12093	0.4
213.10403	0.3
214.08865	0.7
225.06630	1.8
225.11182	0.4
226.07430	3.6
227.08151	0.8
227.12939	0.5
229.09769	4.9
240.10310	1.0
241.09789	40.8
242.10185	3.2
244.06248	0.4
251.11778	0.4
255.11446	0.6
257.13095	0.3
279.08234	0.5
279.11417	2.5
280.12094	0.4
283.10892	7.1
283.13562	0.3
284.11246	0.3
293.09262	1.7
294.10025	1.3
301.11896	0.4
301.83881	0.3
309.20697	1.0
314.12891	0.4
315.13498	100.0
316.13803	8.0
323.10498	0.8
339.13510	1.9
360.13461	0.5
367.12790	0.4
372.13510	0.7
383.08026	0.5
383.12473	5.7
384.12881	0.4
414.14764	0.6
415.14969	0.5
416.16269	0.4
446.17096	0.3
460.15311	0.8
492.17789	0.4
595.38269	0.3
623.24664	0.8
635.29755	0.4
655.27698	1.0
667.23950	2.4
699.28009	0.5
699.39545	0.7
743.33527	0.4
744.34894	0.4
770.62756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78671	0.6
52.07021	0.5
59.01251	25.6
61.98699	1.3
67.36052	0.6
69.45661	5.1
71.01256	2.9
73.02818	1.2
80.14989	0.5
83.04869	0.7
85.02796	1.2
87.00742	0.6
89.02312	0.7
93.03356	0.8
96.95878	2.8
98.20508	1.3
101.02318	1.4
103.00192	0.6
104.04953	1.1
106.06494	2.7
113.02342	1.1
122.06035	2.8
123.22838	0.6
125.02322	1.2
126.20065	0.6
132.04448	38.7
133.04767	1.2
134.06015	24.1
135.04414	1.2
135.06398	0.7
137.06013	0.7
144.04449	3.5
146.05974	0.8
150.06787	0.6
152.07077	1.1
158.06055	1.4
162.05518	0.9
171.10175	1.0
173.04465	1.4
176.03410	2.8
177.09146	0.6
179.03450	1.2
191.05553	2.7
194.08136	1.5
197.11850	0.9
198.09158	1.8
201.11238	1.0
207.10098	0.8
209.11801	5.2
225.11244	0.9
226.07382	1.1
227.12801	1.7
228.08980	2.4
235.08711	0.9
237.10124	0.6
239.11905	11.1
240.12157	0.8
241.09795	62.6
242.10068	3.7
243.11377	1.7
249.06659	0.7
251.11812	3.7
253.09235	0.8
255.11385	1.0
256.12164	32.9
257.12534	2.4
263.08356	0.8
265.09790	1.8
265.13403	2.4
279.11371	26.3
280.12045	2.9
289.18094	0.8
294.09802	0.8
297.12308	0.8
300.11182	9.4
315.13510	100.0
316.13797	6.7
317.41022	0.7
323.10135	1.5
339.13486	22.4
340.14111	2.4
372.13193	1.5
383.12469	8.2
384.12979	0.7
519.24115	2.6
579.26184	3.5
623.24878	1.7
639.41296	1.4
743.36145	1.0
763.29681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.9
70.11060	0.9
70.11449	1.0
71.01249	0.9
85.02833	0.4
97.11723	0.4
104.04939	1.1
106.06516	1.7
113.02380	0.4
122.06010	1.5
132.04445	38.4
133.04767	1.4
134.06012	25.6
135.06323	0.8
144.04471	4.0
152.07094	1.2
158.06012	1.5
162.05571	0.8
176.03456	2.6
191.05531	0.8
194.08167	1.4
198.09152	1.6
209.11786	3.3
210.12025	0.6
212.05888	1.1
223.08749	0.4
224.09373	0.5
226.07387	1.5
227.12762	0.8
228.08972	2.4
232.98969	0.4
235.08691	0.6
236.09399	0.5
237.10110	0.5
239.11876	9.6
240.12355	0.4
241.09785	59.3
242.10109	3.5
243.11334	1.0
249.06667	0.6
251.11891	3.7
255.11365	0.9
256.12146	33.8
257.12405	2.6
263.08118	0.9
264.08987	1.0
265.13409	1.4
279.11365	26.5
280.11768	2.7
294.10181	0.6
297.12375	1.0
300.11145	9.6
301.11661	0.9
309.20740	0.8
315.13492	100.0
316.13782	7.0
323.10159	1.2
339.13480	35.4
340.13748	3.0
356.39548	0.4
372.13226	0.7
383.07974	0.8
383.12485	7.2
384.12839	0.5
401.84653	0.5
519.24402	0.7
579.25800	2.5
619.72040	0.5
743.34985	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	743.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51195	0.3
59.01245	6.3
67.01753	0.8
67.75240	0.2
69.45689	0.3
71.01254	0.8
71.34860	0.4
71.35212	0.3
74.74847	0.3
79.05412	0.6
84.04420	0.3
89.02317	0.4
90.59801	0.3
93.03344	0.3
95.04914	0.7
96.95885	0.5
101.02299	0.3
108.04427	0.8
113.02299	0.3
118.17919	0.3
120.04440	2.5
121.05238	2.0
122.06002	6.5
134.06007	4.0
135.06779	1.1
136.07578	11.4
137.07896	0.3
146.06027	0.5
148.07608	0.6
159.02721	0.3
161.07071	1.0
162.05496	0.6
163.87045	0.2
171.10349	0.5
171.11713	2.6
173.04459	0.4
185.08365	0.3
186.09175	0.8
189.10359	0.5
190.05029	1.3
191.05504	1.3
198.09161	1.8
199.10002	1.5
201.11226	0.4
207.10110	0.4
209.11772	1.1
212.10715	0.3
213.06651	0.4
214.07433	0.5
214.12312	12.5
215.12621	1.0
225.06628	0.4
225.11313	0.4
226.07524	0.7
227.08145	2.3
227.12782	0.5
228.08939	0.9
229.09785	4.4
230.09962	0.4
230.11835	4.2
239.11755	0.5
240.10416	0.4
241.09778	7.3
242.10555	14.9
243.10890	0.7
256.12033	0.8
257.12921	84.0
258.13248	5.9
300.11005	0.6
301.11911	100.0
302.12247	7.2
313.11829	0.4
337.11926	1.6
355.12323	0.3
397.14011	5.0
398.14276	0.9
534.46484	0.3
563.22803	0.3
567.88013	0.3
595.21851	0.4
623.24908	0.4
625.23175	0.6
667.23761	0.4
727.99969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50140	1.1
57.03306	2.0
59.01249	31.4
61.98693	1.5
67.66846	1.2
69.03341	1.4
70.06841	1.9
70.07259	4.4
71.01248	31.7
72.99182	3.5
73.02804	5.6
78.95779	8.4
81.03326	2.1
83.01273	4.3
85.02811	6.9
87.00729	7.7
89.02306	21.5
89.03168	1.2
91.03904	1.3
95.01212	1.5
97.02821	5.6
99.00742	2.3
101.02309	22.7
111.04449	1.5
113.02319	12.0
119.03343	6.0
125.02318	7.8
125.09608	4.9
143.03407	4.9
149.04443	1.4
152.99496	3.7
161.04472	5.4
163.11220	2.1
171.10136	5.8
179.05530	3.4
187.09679	4.0
207.10194	4.5
209.11752	4.7
210.12065	1.6
221.06546	2.1
225.11230	5.3
227.12747	1.2
235.08162	12.1
238.58875	1.4
243.12627	1.4
253.09296	4.5
255.23254	3.8
256.23654	2.4
277.09409	1.7
277.21707	3.6
279.23291	15.9
283.26398	73.3
284.26727	7.1
287.07678	3.7
295.22617	2.2
305.08740	3.5
323.09567	1.8
397.13470	100.0
398.13776	8.2
415.14523	30.7
416.14929	2.6
459.88943	1.3
493.74899	1.2
627.18201	1.5
681.40778	2.7
690.43207	2.2
691.43530	4.2
741.38440	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	741.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00445	2.6
59.01249	62.2
61.98699	4.7
69.25240	19.6
69.25661	9.1
71.01254	19.1
72.99192	9.1
73.02825	2.9
83.04890	4.1
83.43107	2.7
85.02820	6.6
87.00774	3.3
88.98672	5.1
89.02341	8.4
93.03309	3.1
93.39179	2.5
93.95682	2.6
96.95866	18.6
97.02776	2.7
98.20539	5.2
99.00757	3.8
99.92450	3.2
101.02332	5.7
109.06497	7.8
111.04494	2.7
112.73805	3.0
113.02327	4.5
116.92749	16.1
125.09598	3.3
135.04430	3.5
135.08084	3.5
163.07562	5.1
163.11238	4.2
171.10161	16.3
173.04520	7.8
179.65384	2.9
191.05505	19.4
199.09750	6.7
199.13287	5.3
201.11232	7.7
207.10204	19.2
209.11757	100.0
210.12106	3.8
223.09856	3.6
225.11292	18.5
227.12834	31.2
243.40569	2.9
253.09277	12.5
281.04446	2.9
283.10825	3.6
379.93396	2.9
430.03043	2.9
445.21033	6.8
461.19540	3.0
463.21738	3.9
493.35400	3.4
517.22400	6.0
637.32275	5.3
653.31165	5.0
687.32788	3.1
697.39319	4.2
741.34082	24.0
742.35089	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	741.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	2.8
59.01246	27.7
61.87872	1.2
61.98689	2.5
71.01252	8.4
71.17313	3.0
72.99173	1.3
73.02819	2.7
78.95798	2.0
83.04887	3.0
85.02818	2.7
87.00760	1.6
89.02311	4.4
93.03363	1.4
96.95890	6.0
97.02813	1.6
97.06434	4.3
101.02309	5.1
111.08025	2.2
113.02324	2.3
151.11186	15.8
153.09140	1.6
161.04407	1.5
163.11147	2.2
165.12740	1.2
169.12253	98.6
170.12584	4.2
171.10129	3.5
185.11742	2.3
195.10197	2.6
195.13770	1.3
197.11719	14.1
207.10126	1.7
209.11736	20.9
210.12051	3.7
211.13301	4.1
213.11279	15.6
227.03162	1.6
227.12842	5.9
235.08089	1.9
253.09343	7.8
263.20221	1.5
271.02496	5.5
272.02750	4.4
273.02866	2.4
277.21631	1.5
282.24124	1.7
291.19601	7.1
293.21262	2.1
294.21555	2.2
295.22787	8.6
300.02649	3.7
301.03149	5.2
302.03442	2.5
309.20660	8.6
431.19202	4.6
449.20361	6.2
505.25674	4.5
741.29791	7.8
741.40747	100.0
742.29865	1.4
742.41089	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43278	1.4
57.03302	2.4
59.01249	23.2
61.98708	1.9
71.01259	12.1
71.04877	4.4
71.13475	3.1
71.13850	3.5
72.30526	1.4
73.02821	3.6
78.95770	4.9
85.02840	3.7
87.00753	1.3
89.02312	3.5
97.02813	5.4
97.06473	2.5
99.00753	12.8
101.02304	8.2
109.06445	3.7
113.02326	4.3
119.04898	5.2
123.04436	1.8
125.09588	8.8
127.11182	3.1
129.23700	1.6
132.16811	1.4
136.05173	2.3
152.99451	2.0
153.73448	1.5
161.04440	2.3
161.09592	2.5
163.11185	11.4
171.10173	16.7
179.05446	1.8
179.10670	1.9
181.12263	16.6
197.11801	3.1
199.13336	15.4
200.77548	1.8
201.11247	5.8
207.10193	41.3
209.11789	4.8
225.11264	71.2
226.11581	3.4
235.08202	3.4
243.12277	7.9
253.09229	8.0
274.95639	1.5
277.21732	98.7
278.22159	8.6
282.11334	13.7
293.21231	7.0
295.22678	4.4
311.22226	1.7
361.20297	1.6
443.19113	2.7
461.20306	11.3
468.16925	1.6
479.21625	2.0
707.39417	1.9
721.42273	7.5
739.42694	100.0
740.42651	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	740.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10984	0.1
59.01249	2.3
59.64244	0.1
61.98701	100.0
68.65952	0.1
70.26375	0.5
71.01251	1.1
71.84638	0.1
72.01593	0.2
73.02805	0.2
81.59888	0.1
84.95710	0.1
85.02856	0.2
87.00794	0.2
89.02309	0.8
90.02687	0.2
98.20564	0.1
101.02326	0.9
102.02673	0.2
104.51752	0.1
113.02345	0.4
119.03420	0.2
161.04491	0.2
179.05510	0.2
195.13870	0.2
199.13368	0.2
203.96439	0.1
209.11784	2.7
211.13301	0.8
212.13805	0.3
227.12877	0.5
228.13206	0.2
235.08299	0.2
236.08496	0.2
237.08983	0.2
249.27222	0.1
253.09386	0.6
277.21985	0.3
279.23209	1.3
280.23639	1.5
281.23889	0.8
282.24365	0.2
293.21338	0.3
294.21619	0.3
295.22726	1.5
309.20862	0.2
397.13577	0.5
398.13892	1.0
399.14163	1.4
400.14355	0.7
416.14908	0.4
417.15164	0.6
434.34866	0.2
570.36536	0.2
642.82971	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	741.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.5
70.13074	5.5
70.13482	2.3
71.01246	2.4
82.95786	1.5
83.04873	3.5
89.02288	1.7
101.29576	1.6
163.11063	1.8
165.28770	1.8
209.11760	100.0
210.12111	4.6
227.12839	21.8
235.08199	2.1
253.09207	5.7
314.55096	1.9
445.20782	6.5
523.85291	1.6
693.21106	1.8
741.34729	19.0
742.35504	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.1
57.03311	0.6
59.01246	13.4
61.98692	1.8
69.03304	1.3
71.01247	11.5
71.04887	2.6
71.12930	1.6
72.99145	0.7
73.02811	1.8
78.95759	2.2
83.01249	1.0
83.04904	1.2
85.02808	2.2
87.00721	1.7
89.02309	4.9
91.34260	0.6
95.01193	0.8
97.02831	3.8
97.06448	2.5
99.00754	14.1
101.02318	5.2
103.65701	0.7
107.73059	0.6
109.06450	2.4
110.03567	0.8
111.04367	0.9
113.02322	3.2
123.07978	1.2
125.09618	6.7
127.11186	1.1
135.08089	0.7
141.01579	0.7
142.02550	1.0
145.10106	0.7
151.11137	0.8
152.99469	1.2
153.09206	0.6
153.12689	1.2
155.10672	0.7
161.04433	1.9
161.09564	0.7
163.11176	9.1
163.72389	0.6
171.10184	20.5
179.05458	0.9
181.10773	1.1
181.12256	15.5
185.11758	1.1
197.11717	3.3
199.13321	28.2
200.13631	1.3
201.11270	4.1
202.11607	0.6
207.10199	34.3
208.10530	1.4
209.11751	5.6
211.13342	1.8
225.11267	68.4
226.11610	3.8
227.12799	1.4
235.08156	2.9
243.09836	0.9
243.12349	14.7
253.09213	6.7
277.21707	69.2
278.22113	4.8
293.21188	2.7
295.22641	1.3
299.15070	0.8
311.22195	1.4
317.15735	1.2
408.34094	0.6
408.76047	0.7
443.19293	1.7
457.82748	0.7
461.20255	11.6
462.20544	0.8
463.88177	0.8
479.21259	2.9
490.24512	0.9
526.10168	0.7
635.22479	0.8
721.42029	5.5
739.42676	100.0
740.43109	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	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44338	0.3
55.01745	0.4
57.03315	0.3
59.01250	10.8
61.98701	6.9
63.66150	0.3
71.01247	2.7
73.02814	0.9
74.85912	0.3
75.00756	0.6
80.02536	1.3
81.03326	1.1
83.01259	0.8
83.04892	3.4
84.02041	0.9
85.02824	0.7
87.00736	0.7
87.83617	0.3
88.50896	0.3
89.02328	1.8
95.01213	0.3
95.04893	0.8
97.06456	0.4
98.20571	0.7
98.48238	0.3
99.83131	0.3
101.02322	2.9
103.71130	0.3
109.06529	0.4
113.02319	1.3
113.09608	0.5
119.03420	0.5
125.05962	0.4
135.08058	0.5
141.01584	2.8
145.04971	0.3
147.11652	0.3
147.33894	0.2
161.04445	0.9
163.11209	4.1
164.11598	0.3
165.12784	2.3
169.12241	0.7
171.10173	0.8
178.99707	0.4
179.05502	0.4
181.12250	0.9
182.07787	0.3
191.10712	0.8
195.13828	2.5
199.13474	0.6
207.10275	0.7
208.10455	0.3
209.11768	100.0
210.12100	4.8
211.13364	2.1
223.13364	2.1
225.11302	1.0
226.11589	0.4
227.12840	12.1
228.13345	0.8
229.77197	0.3
235.08139	2.7
235.16992	0.9
253.09283	11.4
275.20139	3.8
276.20459	0.5
277.21790	0.5
286.84286	0.3
291.19482	0.5
293.21225	40.3
294.21576	3.5
295.22601	0.9
309.20667	0.6
329.47610	0.3
339.67395	0.3
383.12299	0.3
445.20795	1.2
463.22092	0.7
503.34143	0.4
739.41626	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	739.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.99180	6.7
61.98706	21.6
71.01249	24.5
73.02797	10.8
78.95774	5.7
80.96344	6.0
85.02808	12.2
88.98678	27.7
89.02294	13.5
96.95892	36.5
99.34908	4.9
99.71730	4.3
101.02305	8.9
101.55434	4.0
113.02306	7.0
135.04372	6.8
137.48172	4.4
138.33429	4.6
143.03255	4.3
163.16306	4.1
166.52794	4.8
171.10161	5.9
173.04414	7.3
177.01772	5.1
191.05521	22.9
207.10312	11.7
209.11749	45.0
210.57513	4.7
225.11205	25.8
227.12772	8.1
243.66672	4.5
264.81866	4.8
443.19263	4.5
461.20047	6.7
552.64050	4.8
635.41248	7.0
653.31787	8.6
653.41827	5.7
671.32526	9.1
739.32727	28.4
740.33057	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.5
59.01247	7.9
61.98701	100.0
62.98399	1.2
62.99125	0.3
63.99135	0.9
71.01250	3.2
71.04852	0.3
71.57492	0.5
73.02814	0.4
75.00748	0.4
80.02544	0.6
81.03331	1.0
83.01271	0.4
83.04890	3.6
84.02036	0.5
85.02834	0.9
87.00746	1.6
89.02314	1.7
93.03360	0.3
95.01256	0.5
95.04939	0.5
96.26391	0.3
97.02853	0.5
97.06484	0.4
100.73528	0.3
101.02320	2.3
113.02316	1.5
113.09611	0.5
119.03387	0.5
125.05962	0.6
125.09644	0.4
159.65091	0.3
161.04477	1.2
163.11174	3.4
165.12744	2.0
169.12299	0.4
171.10153	1.0
179.05605	0.3
181.12296	0.8
183.13872	0.5
191.10722	1.2
193.12328	0.7
195.13834	2.8
197.11676	0.4
199.13336	0.7
207.10222	0.4
209.11763	88.5
210.12108	3.9
211.13303	2.0
223.13359	1.8
225.11221	0.4
227.03525	0.8
227.12828	12.2
228.13232	0.7
235.08177	3.0
235.16951	0.6
253.09256	10.1
255.02873	1.2
275.20123	5.6
276.20291	0.4
277.21606	0.8
279.22623	0.3
284.03268	0.8
293.21210	43.8
294.21533	3.5
295.22525	0.4
309.20642	0.6
365.11688	0.4
398.13556	0.3
399.14117	0.6
401.14267	0.4
445.20795	1.3
494.88345	0.4
535.12903	0.3
739.29608	1.2
739.41876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65047	1.0
57.10144	0.9
59.01250	32.4
59.17640	1.1
61.98696	1.7
65.00175	1.6
66.41691	0.9
66.93119	0.9
68.23030	1.0
69.03323	1.1
71.01251	4.3
71.56618	1.8
78.95752	1.8
83.01252	1.4
83.04896	1.5
85.02842	1.4
87.00735	1.6
89.02321	2.5
95.04917	1.0
96.95874	2.2
101.02327	3.2
105.08982	1.2
107.01274	3.8
108.02025	1.6
109.06531	1.2
113.02340	2.0
125.02345	1.3
151.00246	8.8
161.04446	1.2
163.00269	2.8
163.11198	2.9
169.01331	2.2
169.12170	1.3
170.64665	1.0
171.10223	2.1
175.03883	1.6
178.99802	7.0
181.12201	1.3
183.13954	1.2
190.02538	1.0
191.03484	1.1
191.05356	1.4
197.11700	3.7
198.02972	1.1
199.03876	1.3
199.13336	4.9
207.10172	3.8
209.11757	38.1
209.13751	1.9
210.12090	3.3
211.03900	1.1
211.13390	5.0
215.03477	1.0
223.13464	2.0
225.11238	3.6
226.02661	7.1
226.11562	1.4
227.03397	9.3
227.12839	23.1
228.03751	3.0
235.08107	2.2
243.02956	17.4
244.03397	1.1
253.09314	9.9
254.02208	5.8
255.02954	26.3
256.03418	6.0
257.03717	1.9
271.02457	90.3
272.02911	7.7
273.03961	1.1
275.20193	3.1
283.02539	1.4
284.03180	4.1
285.03903	6.3
286.04010	1.7
291.19559	2.0
292.19824	1.7
293.21198	25.1
294.21515	2.5
295.22684	4.5
299.01974	5.9
300.02731	88.7
301.03473	31.6
302.03952	1.8
311.22208	10.7
438.24484	1.1
463.08783	2.0
463.21494	1.7
496.84064	1.4
560.81342	1.1
663.12903	1.3
739.29620	100.0
739.41187	5.9
740.30042	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	739.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51201	0.6
57.33054	0.5
59.01248	10.8
62.78360	0.5
70.01479	0.6
71.57431	0.9
71.57780	0.6
78.95746	0.6
83.01272	1.2
83.04854	0.6
85.02839	1.1
87.00740	0.6
96.95905	2.3
101.02316	0.7
107.01293	1.3
125.02372	0.8
132.02052	0.8
135.00792	0.6
151.00281	1.7
163.00313	0.8
169.01323	0.6
169.12228	3.1
174.03203	0.5
178.99840	0.7
183.04404	2.0
187.03867	0.8
191.05547	1.2
204.05798	0.6
209.11768	3.9
211.03883	2.1
211.13379	0.7
213.11275	0.6
219.48352	0.6
227.03444	81.3
228.03818	3.4
229.05032	1.6
253.09320	0.8
255.02960	100.0
256.03586	11.7
257.04587	1.3
269.04559	0.7
283.02469	2.3
284.03253	51.5
285.03989	33.7
286.04297	2.4
291.19876	0.9
293.21179	1.4
317.51294	0.6
327.05142	1.0
331.17480	0.7
347.15210	0.9
469.05325	0.6
479.51630	0.6
694.94366	0.7
739.29620	78.0
740.29956	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	738.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.3
61.98703	100.0
69.45992	1.3
71.01266	1.3
72.01595	0.2
73.02824	0.3
81.03353	0.2
83.01272	0.2
83.04903	0.7
85.02812	0.4
87.00778	0.5
89.02310	1.3
95.04942	0.2
97.02837	0.2
101.02326	1.4
102.02645	0.2
104.19382	0.1
109.06487	0.2
111.99323	0.2
113.02361	0.6
119.03363	0.4
125.02340	0.3
161.04469	0.3
163.11235	0.8
165.12747	0.3
171.10321	0.2
179.05548	0.3
195.13841	0.6
196.14703	0.1
207.10269	0.4
209.11768	16.1
210.12030	0.2
211.13333	0.2
223.13350	0.3
225.11351	0.5
226.11702	0.1
227.12837	2.1
235.08199	1.0
236.08583	0.2
253.09230	2.5
258.12967	0.2
275.20132	0.9
277.21729	1.2
278.22037	1.4
279.22375	0.8
280.22549	0.2
291.19836	0.4
292.19910	0.2
293.21222	8.9
294.21771	0.2
298.26086	0.2
368.51047	0.2
397.13321	0.8
398.13828	1.5
399.14044	1.7
400.14355	1.0
415.14554	0.4
416.14996	0.6
417.14990	0.8
418.15485	0.4
445.20886	0.2
463.06601	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	739.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37303	0.4
57.03306	0.4
59.01245	1.4
71.01245	1.2
71.56911	0.8
72.99185	1.2
73.02833	0.8
75.00782	0.4
81.03323	1.2
83.04899	0.6
85.02818	4.6
87.00748	1.0
93.03348	1.7
96.95891	20.7
98.95483	1.0
99.00756	2.1
101.02336	2.5
108.02048	0.6
109.02831	3.2
111.04378	0.4
113.02325	0.8
115.29607	0.5
117.01818	0.6
119.04921	0.7
119.77045	0.4
121.02838	1.4
121.95677	0.4
125.02290	1.0
127.03916	2.2
129.01833	3.8
134.03609	0.8
147.02902	0.7
151.18211	0.4
163.03958	1.2
173.04424	4.0
189.03978	0.9
191.05527	3.5
193.04947	0.8
207.05040	100.0
208.05362	3.9
223.56610	0.5
249.06149	1.0
303.09039	10.2
304.09421	1.1
330.80908	0.4
353.08752	14.1
354.09207	1.4
365.59778	0.4
367.10391	1.1
371.09851	1.7
385.07678	0.5
470.01288	0.4
627.64343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55193	0.2
55.45179	0.2
58.02847	0.4
59.01251	17.5
60.95845	0.3
81.03330	5.6
83.04895	16.4
84.05245	0.3
107.05998	0.3
108.04452	0.3
125.07099	1.1
126.05487	0.5
143.08163	0.4
151.00281	0.3
154.18889	0.2
178.99825	0.4
189.16986	0.3
199.18124	0.3
207.14977	1.4
224.17627	2.5
225.16035	13.9
226.16412	0.6
242.18660	0.6
268.16650	0.3
309.21896	0.9
324.26453	0.6
333.23059	0.8
341.29166	1.2
367.27158	1.1
433.31943	1.4
450.34430	1.4
451.32889	8.2
452.33212	0.8
535.37805	0.3
550.43225	1.0
559.39435	0.6
593.43787	0.7
659.48505	2.0
660.49677	0.3
677.49670	100.0
678.49957	15.9
720.38495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.1
59.01249	1.6
60.01609	0.1
61.98700	100.0
62.98397	0.3
66.85928	0.1
71.01254	1.2
72.01588	0.1
73.02818	0.2
76.37824	0.1
81.03338	0.1
83.01263	0.1
85.02832	0.3
87.00776	0.2
89.02318	0.7
97.02840	0.2
101.02341	0.6
102.02670	0.1
109.06475	0.2
111.04423	0.1
113.02336	0.4
114.02703	0.1
115.02869	0.1
119.03378	0.2
125.02354	0.3
129.92354	0.1
143.03374	0.1
154.38341	0.1
161.04463	0.1
170.19283	0.1
179.05501	0.2
194.29723	0.1
207.10312	0.1
208.10612	0.1
209.11765	0.5
225.11258	0.3
227.12823	0.2
235.08269	0.3
236.08492	0.1
237.08696	0.2
253.09361	0.2
272.71881	0.1
277.21698	1.2
278.22058	1.8
279.22342	0.6
280.22717	0.2
293.21271	0.5
294.21518	0.1
397.13458	0.9
398.13895	1.1
399.13980	1.7
400.14273	0.8
409.06613	0.1
415.14719	0.2
416.14972	0.4
417.15125	0.6
418.15469	0.3
455.76044	0.1
491.33209	0.1
560.43304	0.1
583.11786	0.1
738.40735	0.1
746.33069	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	737.448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32489	0.2
59.01250	100.0
60.01582	0.7
61.98700	0.9
63.09734	0.2
67.01767	0.2
70.13904	0.9
71.01238	1.2
71.73030	0.2
73.02832	0.4
79.95625	0.3
80.96391	0.6
83.01258	0.2
85.02832	0.7
87.00775	0.2
93.03329	0.4
96.95897	0.3
101.02335	0.6
105.82128	0.2
113.02366	0.4
135.04373	0.3
161.04533	0.6
173.04497	0.6
178.02667	0.2
191.05507	1.1
198.98076	0.2
207.10298	0.4
209.11763	1.2
225.00706	0.3
225.11310	0.3
227.12894	0.3
253.09218	0.2
291.19867	0.3
293.21344	0.7
309.20853	0.2
330.45291	0.2
375.10440	0.2
557.20294	0.2
617.40808	0.3
635.41711	0.7
659.42126	0.4
737.32855	0.4
737.45490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01590	0.9
61.98692	0.8
63.28692	0.2
67.72915	0.2
69.03322	0.2
69.92825	0.7
69.93232	0.4
71.01240	2.0
73.02805	0.3
73.94037	0.2
78.95761	0.4
79.95618	1.0
80.96379	1.1
83.04904	0.5
85.02832	0.7
87.00758	0.3
89.02325	0.3
93.03341	0.6
94.97982	0.3
95.04894	0.2
96.95898	0.9
97.02843	0.4
98.20517	0.5
99.00765	0.2
101.02271	1.2
109.06520	0.8
113.02359	0.7
113.23862	0.2
119.88831	0.2
120.97098	0.2
121.02924	0.2
135.08083	0.3
149.24532	0.2
149.54276	0.2
161.04533	0.6
163.11203	0.6
164.98596	0.3
171.10210	1.1
173.04510	0.6
179.05595	0.3
181.12421	0.4
191.05550	1.1
197.11801	0.6
207.10217	2.2
209.11772	8.6
210.12158	0.4
211.13255	0.3
225.00725	0.3
225.11284	2.1
227.12943	0.5
235.08102	0.5
253.09296	1.5
275.20227	0.3
291.19662	2.8
292.20096	0.4
293.21173	1.3
294.21393	0.3
309.20691	1.8
461.20584	0.7
635.41876	0.6
719.39764	0.4
737.30066	0.4
737.42896	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	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.1
57.03299	1.5
59.00995	1.0
59.01252	13.4
61.98683	3.7
67.64161	1.3
69.03323	5.4
70.86702	1.4
70.87048	2.2
71.01262	6.8
71.04865	1.5
73.02771	2.0
78.95750	2.5
85.02816	1.3
87.00753	1.2
89.02298	3.8
101.02305	5.4
113.02332	2.1
125.09548	2.4
141.60170	1.0
151.11162	3.6
161.09602	4.6
172.59706	0.8
179.10695	9.6
185.59613	1.0
197.11757	54.0
198.12071	2.8
205.08572	1.3
207.10109	1.9
223.09752	2.8
223.84772	0.9
225.11201	1.9
235.08441	1.2
241.10703	2.9
253.09224	4.1
254.21948	1.1
277.21707	63.7
278.21994	4.6
293.21146	2.5
459.18280	1.9
563.01801	1.3
565.58032	1.1
737.41083	100.0
738.41339	20.9
764.34314	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	737.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76858	1.4
59.01249	100.0
61.98698	17.8
62.92316	1.5
65.94869	1.3
71.01246	6.7
71.57115	1.3
71.57508	1.3
72.02974	1.4
78.95774	2.1
79.95598	2.2
80.96382	6.0
82.86816	1.4
85.02810	3.0
87.00768	2.2
93.03319	3.0
96.95863	3.8
101.02317	3.1
111.04404	2.2
113.02303	2.3
125.09607	1.6
133.02773	1.4
135.04414	2.8
138.20009	1.4
149.53093	1.5
161.04453	1.7
169.12259	1.6
171.10205	2.0
173.04472	6.1
175.31439	1.4
175.49583	1.4
176.62926	1.4
181.12251	1.7
191.05544	18.4
197.11736	13.8
207.10167	1.9
209.11763	24.2
210.12079	2.0
211.13402	1.4
223.13316	8.1
227.03412	4.8
245.38763	1.4
253.09294	3.2
255.02962	4.2
284.03326	3.7
285.04050	3.2
291.19543	2.2
309.20694	3.2
334.77493	1.6
413.89465	1.6
468.96945	1.3
518.66528	1.4
651.33411	1.7
669.96277	1.6
737.27588	2.4
737.35754	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	737.396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80152	0.9
59.01252	39.9
61.33771	0.9
61.98706	14.5
71.01253	7.6
71.58073	1.8
72.99209	1.2
73.02818	2.6
78.95779	1.9
79.95624	1.0
80.02599	1.4
80.96391	2.0
83.01228	1.0
83.04915	2.8
85.02847	3.9
87.00771	3.2
89.02316	3.4
93.03349	2.1
96.95905	7.2
97.02842	1.4
99.00755	1.3
101.02305	5.4
111.00764	1.5
113.02332	4.3
116.92784	1.3
125.09640	1.1
135.08032	1.1
163.11230	3.4
165.12709	1.8
167.66551	1.0
171.10156	2.7
173.04492	3.1
191.05614	6.8
209.11777	100.0
210.12117	7.6
211.13396	1.3
227.12828	13.6
231.10059	2.1
241.09581	1.6
247.13577	1.2
249.10921	1.4
253.09187	4.9
353.09177	1.3
364.85754	1.2
445.20755	2.3
445.32416	1.1
633.39166	2.4
651.39746	2.9
693.40680	1.3
737.31030	2.0
738.23773	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	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16259	0.8
56.58579	0.8
57.03326	1.4
59.01249	14.8
61.41471	0.8
61.98700	2.5
63.12163	0.9
69.03312	3.8
69.82381	5.8
70.03691	1.0
71.01243	7.5
71.04875	2.9
71.53020	1.2
73.02809	1.0
76.57496	0.9
78.95785	1.1
79.31349	0.9
85.02832	1.6
87.00746	0.9
89.02305	2.8
89.26720	0.9
93.39961	0.9
97.06480	1.1
101.02314	5.0
113.02295	2.8
123.08035	1.6
125.09638	2.0
151.11191	2.3
152.99399	1.2
153.12779	2.0
161.04321	1.1
161.09595	3.1
169.12251	1.2
171.10164	1.1
179.10672	7.4
197.11755	100.0
198.12068	4.3
205.08603	3.0
207.10165	2.7
223.09700	2.9
225.11208	2.0
235.08173	1.1
241.10867	4.8
253.09282	4.2
255.23232	1.6
277.21710	38.0
278.21930	3.3
293.21255	2.3
299.02072	1.1
459.18582	1.2
477.19595	3.4
622.08899	1.2
701.72455	1.1
737.41150	99.2
738.41504	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	737.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89696	1.0
58.08677	0.9
59.01247	10.9
63.02266	0.9
65.00197	1.1
71.01251	9.4
71.57813	2.0
72.99197	1.3
73.02821	4.2
75.14119	1.0
79.07958	1.0
79.95614	1.9
83.01263	3.7
85.02819	5.1
87.00750	2.7
89.02332	3.0
93.03339	2.7
96.95880	60.7
97.02849	1.9
97.60461	1.1
98.95491	1.5
99.00741	6.9
101.02331	2.9
107.01242	4.5
108.02051	1.3
109.02813	1.5
111.00734	1.3
113.02340	7.5
116.92734	2.5
121.02840	4.0
122.03663	1.0
123.04443	1.5
124.01545	1.4
125.02325	2.1
131.03380	1.3
134.03662	1.9
135.04387	2.2
136.01558	68.3
137.02261	3.5
146.03664	0.9
147.13408	1.0
150.03120	0.9
151.00302	9.9
151.03908	100.0
152.01060	4.4
152.04272	3.9
160.05150	1.2
161.02350	3.1
161.04559	1.2
162.03160	1.1
163.04004	1.2
167.03436	1.7
169.01373	1.8
173.04459	2.8
175.04001	2.3
175.07582	2.1
176.04710	2.2
177.01837	1.1
178.99783	11.3
179.03522	1.9
187.03949	1.3
187.28705	0.9
191.05551	10.9
191.07037	2.4
193.01289	1.0
207.04973	1.2
215.06956	1.4
216.16557	0.8
227.26207	1.0
255.02808	1.5
282.01971	1.1
285.03894	1.1
287.09698	4.4
288.09509	1.0
289.11093	18.7
299.01880	1.0
312.09778	1.5
319.08514	5.1
327.12350	7.1
339.12314	4.4
342.11130	4.2
343.11673	2.6
357.13400	69.8
358.13727	7.1
399.12775	1.7
429.11945	3.7
430.11902	1.2
439.72021	1.1
503.18051	1.1
621.23730	1.3
633.21863	2.9
636.00793	1.0
651.23004	15.5
652.23468	3.8
675.23059	2.6
693.23993	31.3
694.24487	5.6
737.22699	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	737.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	22.7
60.85536	1.1
61.98707	14.8
65.00202	1.6
71.01252	6.7
77.11731	1.1
78.95775	4.8
83.01269	1.5
83.04897	2.3
85.02815	2.6
87.00747	1.0
89.02344	2.1
93.03320	1.3
96.95876	4.2
101.02307	2.5
107.01251	1.8
109.06458	4.8
113.02303	1.7
118.23058	1.2
135.08020	1.6
151.00270	2.5
151.65503	1.2
152.99480	2.1
163.11166	3.9
165.12776	2.2
171.10152	3.7
181.12395	1.2
183.04399	3.5
191.05559	1.3
197.11778	3.6
199.03896	1.5
199.13333	1.8
207.10196	15.7
209.09862	2.5
209.11768	33.7
210.12032	2.2
211.04025	1.3
211.13329	5.1
225.11241	16.5
227.03435	71.5
227.12846	6.9
228.03796	3.9
229.05032	2.7
235.08257	3.2
253.09303	7.5
255.02962	100.0
256.03485	12.9
257.04456	2.4
275.20163	2.3
283.02408	2.8
284.03244	72.9
285.04001	35.9
286.04501	3.2
289.18057	1.8
291.19675	21.0
292.20032	1.7
293.21194	19.5
309.20743	2.9
327.05048	1.6
352.12170	1.1
443.19089	1.5
461.20245	3.2
463.21472	1.3
527.28345	1.5
639.20776	5.3
719.39874	1.9
737.28162	74.4
737.40613	8.4
738.28473	15.3
767.73273	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	735.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.44374	10.2
61.98703	81.9
71.01255	29.3
71.56088	11.9
71.56429	20.5
78.95760	28.8
87.00777	16.4
89.02306	16.6
95.01302	9.8
96.95931	14.7
97.02824	16.9
101.02345	20.9
109.06419	16.3
111.04375	11.0
120.37794	10.2
171.10175	61.1
172.89969	12.3
195.13930	12.9
197.11749	19.5
207.10202	40.8
209.11761	58.6
211.13335	24.4
225.11285	24.0
253.09140	24.3
277.21716	36.9
289.18048	20.7
291.19608	31.1
293.21259	20.4
295.22751	25.6
296.23138	17.8
309.20779	21.0
397.13605	25.4
415.14682	17.5
717.37836	14.3
735.39130	47.3
736.39459	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	735.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76995	0.4
53.06464	0.4
53.42807	0.3
57.03314	0.6
59.01251	5.4
66.47927	0.3
69.03325	1.7
71.01257	4.0
71.04892	0.8
71.56889	0.3
73.02814	0.9
78.73972	0.4
78.95800	0.4
83.01241	0.5
83.04898	0.5
85.02817	0.9
85.06462	0.6
87.00748	1.3
89.02307	2.3
101.02319	4.5
108.09215	0.3
109.06451	0.6
111.92898	0.4
113.02337	2.2
119.03367	0.9
125.02316	0.6
128.89717	0.4
136.00407	0.4
145.04988	0.4
149.09578	0.6
161.04443	1.7
167.10683	2.8
173.96230	0.4
177.12772	0.6
178.60751	0.3
179.05524	0.7
179.10695	1.3
179.14282	3.2
183.49341	0.4
195.13823	14.3
196.14244	0.7
197.11806	0.8
205.12253	9.4
207.10268	0.5
209.11768	0.7
211.13390	0.5
223.13341	100.0
224.13672	5.7
225.14893	0.8
228.13535	0.4
231.21150	0.7
235.08203	3.7
253.09259	15.7
254.09535	0.8
256.13156	0.7
275.20145	4.5
277.21399	0.5
293.21216	75.4
294.21533	6.7
306.61346	0.4
316.46783	0.4
330.94669	0.5
405.42630	0.4
425.03726	0.4
441.21042	0.5
445.51959	0.4
453.54535	0.4
456.40057	0.4
459.22375	9.1
460.22696	0.9
499.34421	1.0
529.30084	1.0
735.40802	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01725	0.1
59.01254	0.7
59.58106	0.1
63.75287	0.1
69.23798	1.2
71.01253	0.2
77.51524	0.1
78.95772	0.2
79.95610	2.9
85.02779	0.1
93.03329	0.3
96.95889	100.0
97.95822	0.3
98.20582	0.3
109.02861	0.1
135.04424	0.1
137.02376	0.2
148.48694	0.1
151.00299	0.1
155.10660	0.1
157.20218	0.1
163.03708	0.1
173.04500	0.1
177.01859	0.2
191.05499	0.3
227.03534	0.4
255.03114	0.5
273.78058	0.1
284.03171	0.7
285.03909	0.2
301.11722	0.2
326.04382	0.3
327.05002	0.2
383.01022	0.3
548.47766	0.1
635.16187	0.8
636.16174	0.2
733.21637	0.2
733.38086	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	733.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	42.0
61.98703	5.1
69.03342	2.8
69.20481	1.8
71.01253	32.1
71.15018	1.7
71.15380	4.1
73.02832	5.3
76.12344	1.7
78.95767	1.9
81.57180	1.8
83.01283	3.8
85.02825	7.8
87.00758	7.2
89.02316	30.1
96.95877	2.1
97.02865	5.6
101.02313	27.6
113.02328	10.8
119.03397	6.7
125.02336	12.1
143.03419	5.6
161.04434	9.4
171.10126	3.0
179.05533	5.2
205.51501	1.6
209.11784	5.7
211.13385	7.0
235.08165	12.5
253.09258	6.6
275.20151	69.2
276.20517	7.6
287.07785	2.4
305.08859	4.3
397.13495	100.0
398.13892	8.4
415.14594	39.8
416.14941	2.3
733.39825	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	733.366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40456	1.7
55.01745	3.7
57.03313	5.3
58.00470	2.6
59.01252	100.0
61.98700	14.5
69.03327	2.0
69.31800	12.7
69.32223	3.8
71.01256	68.4
71.10317	1.6
72.99169	4.9
73.02827	18.8
75.00726	2.5
78.95789	2.0
82.03199	1.6
83.01261	10.6
85.02820	28.9
87.00751	7.3
89.02326	25.8
93.03353	2.4
95.01273	7.4
96.95894	21.0
97.02840	2.5
97.06496	2.1
97.31950	1.5
99.00769	8.4
101.02317	32.2
103.27381	1.7
111.00780	3.0
113.02332	28.8
119.03426	10.0
124.01572	1.9
125.02356	5.4
129.01878	2.1
135.04405	13.1
137.02339	3.2
143.03397	4.8
155.10699	2.4
159.02907	3.9
160.37646	1.7
161.04466	7.7
171.10194	4.6
173.04478	3.5
179.05620	2.2
191.05537	8.0
209.11786	16.6
227.12909	3.8
229.14401	3.9
253.09138	1.9
299.01956	3.6
300.02725	3.7
429.29962	2.1
455.20932	2.0
467.30051	11.4
468.30673	2.1
485.31180	8.7
629.35443	89.5
630.36060	15.0
647.36462	72.3
647.47162	3.9
648.36853	10.1
689.37634	20.4
690.37646	3.5
733.37311	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	731.257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82537	0.3
59.01253	13.0
61.98677	0.6
69.35354	2.8
71.01227	0.8
76.42313	0.3
80.04936	1.8
80.05325	0.3
80.71569	0.3
85.02854	0.5
87.00756	0.5
89.58044	0.3
93.03345	0.8
96.95900	6.1
101.02306	0.5
101.96803	0.3
106.06513	4.3
107.03642	0.9
108.04438	5.2
108.08088	1.6
118.06517	0.6
121.05227	0.7
122.06007	10.6
132.04437	2.9
132.08054	0.4
134.06010	18.0
134.09671	0.4
135.04478	0.4
135.06363	0.7
135.08034	0.5
136.07576	6.7
144.04472	0.6
146.06032	1.7
148.07579	1.9
152.07083	6.5
155.10710	0.4
158.06024	0.7
160.07564	1.8
161.04309	0.3
162.05524	2.1
162.06686	0.3
162.09152	7.1
163.09486	0.4
173.04543	0.6
180.06587	16.0
181.06900	0.7
183.09235	0.6
188.07089	1.3
190.08594	0.4
191.05542	1.3
196.06314	0.3
199.12186	0.8
200.82994	0.3
201.92564	0.3
204.29602	0.3
206.08162	1.4
211.08717	1.8
213.10191	1.6
223.08669	0.6
224.09412	0.6
225.10249	2.9
226.10979	0.6
227.11862	1.2
237.10341	0.8
238.11050	1.0
239.08156	1.1
239.11818	1.8
241.09782	1.7
241.13452	1.4
251.08109	0.5
251.11969	1.7
252.09087	0.8
253.09792	3.2
253.13451	2.0
254.10324	0.4
255.11328	0.4
258.13290	0.5
260.92151	0.3
264.09061	0.5
265.09680	0.6
266.10568	2.1
267.11356	1.7
267.14856	0.6
268.12054	0.7
269.12924	3.0
271.09732	0.6
279.11365	7.6
280.11655	0.6
281.12943	5.8
282.13190	0.6
285.12473	4.4
295.10828	1.9
295.14191	0.7
297.12512	0.6
302.12491	0.4
307.10815	0.6
311.94125	0.4
312.11047	0.4
313.11874	2.7
314.12186	0.4
325.11935	1.0
339.13409	1.1
358.15799	0.5
360.17029	0.8
372.17163	0.8
388.16385	0.5
388.20605	0.7
400.16684	0.6
404.19867	0.8
414.18228	0.7
416.19769	1.2
432.19177	4.2
433.19614	0.7
442.17770	1.1
450.20279	0.4
460.18771	11.3
461.19156	1.4
478.19669	1.7
492.21432	2.8
493.21274	0.5
502.19611	0.7
520.20856	100.0
521.21155	15.5
546.18884	0.8
625.26727	1.4
626.26453	0.4
643.28192	1.7
644.27802	0.5
731.28400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53851	0.5
57.03314	1.1
57.36269	0.5
58.00467	1.0
59.01250	26.1
60.01557	0.6
61.98700	1.6
65.55088	0.6
70.43902	1.3
70.44234	0.7
71.01256	15.6
72.99183	1.6
73.02816	5.0
79.95617	1.1
83.01276	1.7
83.04881	0.5
85.02809	5.4
87.00768	1.4
87.04389	1.8
89.02309	7.7
93.03342	1.2
95.01273	1.2
95.04903	0.9
96.95889	22.0
97.02838	0.8
97.65148	0.6
99.00788	0.8
101.02317	7.4
106.06505	0.9
108.04431	1.5
109.06470	0.7
113.02337	5.3
119.03413	3.1
119.04898	0.8
120.05699	0.7
122.06017	1.8
125.02290	1.0
134.03592	0.7
134.06021	2.8
135.04454	2.0
135.08043	5.4
136.07556	1.0
137.02327	1.0
137.06001	0.7
137.09625	13.2
151.07506	0.8
152.07048	1.1
155.10681	88.7
156.11002	3.4
161.04521	0.6
162.09116	1.0
173.04440	1.4
176.08266	0.7
179.03442	0.9
180.06572	2.3
181.08588	2.8
191.05492	2.7
194.35187	0.7
199.09671	17.0
236.09497	0.6
241.10741	1.8
253.09837	0.7
279.11404	2.0
285.12601	1.2
297.12207	0.6
343.12299	0.6
359.07910	0.6
365.84232	0.6
460.18839	2.0
469.33801	0.7
520.20898	14.4
521.21143	2.2
551.28387	0.8
627.34589	1.0
686.01624	0.6
687.39252	1.0
731.34882	100.0
732.35138	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	731.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	30.9
64.86575	0.8
70.98485	1.0
70.98833	1.9
71.01269	1.5
73.02802	1.0
85.02837	1.2
93.03367	1.3
96.95889	9.7
97.06468	0.9
106.06498	2.6
107.03635	3.5
108.04427	5.4
118.58998	0.8
121.05217	2.4
122.06007	36.9
123.06401	1.0
124.07581	8.7
132.04448	30.5
134.06010	25.9
135.03241	0.8
135.04387	1.6
136.07579	100.0
137.02373	1.2
137.07918	3.1
144.04466	5.5
146.06018	1.4
151.00290	2.5
152.07091	1.5
155.10724	1.7
158.06013	2.2
162.05486	2.4
168.06573	11.3
173.04420	1.0
176.03444	17.9
176.59363	0.8
178.99794	1.7
180.06590	9.7
188.03474	2.5
189.04153	1.5
191.05592	2.7
193.04756	0.9
194.08197	1.9
194.48349	0.9
199.09610	0.9
226.07520	0.9
229.09793	1.1
230.35001	0.8
235.08835	1.1
236.09332	0.9
237.10402	0.9
239.11998	0.9
241.09793	2.3
243.11302	7.0
251.11929	6.7
255.11436	1.3
257.13000	1.3
263.08362	1.2
265.09863	1.1
279.11386	27.0
280.11798	2.9
281.12943	1.4
285.12408	1.6
301.11874	2.1
302.12680	4.7
303.13483	26.7
304.13702	2.6
323.10361	12.0
337.03473	3.6
337.07553	0.8
339.13477	27.6
340.13733	2.7
372.12976	0.9
383.12473	59.1
384.12726	5.9
388.16574	4.2
434.89819	0.9
436.18893	2.0
448.18756	6.8
449.18854	1.1
457.09225	0.9
507.20102	6.4
507.79648	1.0
508.20874	14.9
509.21335	2.6
520.20703	2.0
527.15759	1.1
539.19043	2.0
569.26062	1.6
625.26550	2.7
643.27734	27.5
644.28107	5.5
731.21283	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	729.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88357	0.4
59.01247	8.1
61.85348	0.4
65.85650	0.4
67.01756	0.7
70.31093	0.4
70.31416	1.6
71.01247	0.9
73.02827	0.5
75.40895	0.5
79.05367	0.8
83.14570	0.4
83.96431	0.5
85.02814	0.9
93.03342	0.5
93.51767	0.4
95.04915	1.0
96.95881	1.9
108.04482	0.8
111.00807	0.4
113.02318	0.7
120.04445	2.4
121.05243	2.6
122.05994	6.9
132.04468	5.8
134.06000	6.0
135.04443	2.0
135.06758	1.2
136.07576	12.4
137.07899	0.5
144.04498	1.0
146.06039	0.5
155.10709	0.5
158.06059	0.5
160.06355	0.6
161.07051	1.0
162.05536	1.2
171.11700	2.4
172.07684	0.6
172.12090	0.4
173.04483	0.5
176.03397	2.6
179.03328	0.8
180.89461	0.4
186.09225	0.6
188.03471	0.5
191.05524	1.4
198.09167	2.1
199.09871	1.8
214.07474	1.0
214.12309	12.7
215.12520	0.7
226.07443	0.8
227.08157	2.0
228.08850	1.2
229.09718	5.3
230.11844	4.6
241.09776	9.0
242.10555	16.7
243.10764	0.9
251.11830	0.6
256.12128	1.2
257.12924	90.1
258.13269	5.6
279.11392	3.0
280.11932	0.6
300.11191	0.8
301.11920	100.0
302.12286	7.2
323.10281	1.5
339.13483	1.9
340.13870	0.6
383.12433	9.1
567.28052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.4
58.32381	0.4
59.01253	12.9
61.98699	0.7
63.33818	0.4
65.34369	0.4
67.01750	0.7
71.01256	4.0
71.58049	0.6
72.99170	1.0
73.02801	1.9
75.00740	0.6
78.95761	0.6
83.01238	1.4
83.04861	0.5
85.02821	2.8
86.60084	0.4
87.00748	1.4
89.02312	1.1
93.03323	1.5
95.01276	0.6
95.04889	0.7
96.95876	5.2
99.00739	0.6
99.08062	0.5
101.02332	3.2
109.02821	1.2
113.02334	2.8
119.04912	1.2
120.04453	2.6
121.05228	2.2
122.05991	5.9
123.04353	0.6
125.02334	0.8
132.04430	4.7
133.02855	0.8
134.03661	0.5
134.06033	4.9
135.04395	2.6
135.06787	0.8
136.07573	10.2
137.02304	1.3
138.46982	0.4
143.03369	0.6
146.74884	0.5
148.07594	0.5
150.03085	0.7
150.04184	0.5
150.05429	0.6
151.00319	0.6
161.02393	1.1
161.04466	0.9
161.07169	0.6
165.05388	0.7
171.11699	2.0
173.04533	2.2
174.01596	2.2
175.02272	0.7
176.03442	3.4
178.99881	0.6
179.03387	0.6
191.05516	5.1
193.04965	0.6
193.66144	0.5
198.09161	1.9
199.09883	1.4
207.05214	0.7
209.11751	0.5
214.10417	0.9
214.12317	11.9
215.12584	0.5
226.07321	0.6
227.08182	1.9
229.09760	3.4
230.11792	3.6
230.13797	0.6
239.11940	0.7
241.09772	8.0
242.08055	0.9
242.10555	14.0
243.10971	1.2
256.12155	1.0
257.12924	80.3
258.13260	5.3
279.11441	2.3
300.02734	0.9
300.11084	0.8
301.11920	100.0
302.12219	7.8
319.26202	1.1
323.10132	1.5
339.13412	1.5
363.25381	3.6
383.12506	6.4
525.30701	1.7
669.34937	2.0
685.37354	0.6
687.35260	3.5
729.37616	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	731.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69020	0.7
53.74536	0.7
57.03324	1.6
57.63390	0.7
58.00471	0.8
59.01250	10.6
61.98729	0.6
65.27051	0.6
69.03301	0.6
71.01251	9.3
71.58553	1.1
72.99156	0.9
73.02808	3.6
79.95615	0.8
85.02820	2.8
86.64142	0.6
87.00756	1.2
87.04389	8.4
92.80122	0.7
93.03313	0.7
96.95889	6.9
97.02841	1.7
97.06442	1.3
99.04395	0.9
101.02312	2.0
106.47015	0.7
108.02050	2.3
108.04432	1.1
109.02836	5.0
109.06467	1.0
111.04412	0.8
113.02325	1.6
115.00255	7.9
121.02859	1.6
122.03667	3.1
122.06016	1.3
123.04369	2.2
124.01558	3.1
125.02310	1.0
125.05916	0.8
129.50961	0.7
133.02847	8.1
134.03658	5.2
134.05995	2.6
135.04414	1.3
135.08044	2.1
136.07550	1.4
137.02362	2.8
137.05948	1.2
137.09616	8.5
139.07516	1.8
139.11151	1.4
143.29111	0.6
145.02811	2.0
146.03629	2.8
146.05966	0.7
147.04413	9.7
148.05186	5.8
149.02339	0.9
149.05933	1.1
150.03055	0.8
151.03912	0.9
151.11198	1.3
152.07098	1.7
155.10683	41.1
156.11003	1.4
158.03624	1.0
159.04427	3.2
160.05185	2.9
161.05940	3.0
162.06737	2.5
162.09108	1.8
163.03929	1.8
163.07478	1.2
163.11180	1.4
165.05469	1.2
167.10719	1.2
169.12263	1.8
175.03880	1.0
175.07533	1.2
177.09093	0.7
178.02626	1.5
179.10728	4.9
180.06528	3.2
181.08553	2.6
181.12302	1.0
191.05530	1.7
191.10732	3.2
193.04924	2.5
193.08694	0.7
195.10178	2.2
199.07988	1.1
199.09695	16.0
200.10133	0.7
207.06482	0.9
212.27066	0.6
213.05434	2.5
213.11278	1.1
223.09625	0.7
224.04729	0.8
225.05612	0.8
233.04372	1.0
240.04239	1.2
241.05009	16.7
241.08694	0.9
241.10745	4.4
242.05463	1.3
251.07143	1.8
252.07790	1.7
253.05014	1.8
253.10738	1.0
254.05803	2.2
255.06767	1.2
255.12335	2.2
256.07394	11.5
257.07755	1.4
266.10538	0.9
267.06638	2.7
268.07410	8.8
269.08157	17.5
269.12778	0.9
270.08563	1.1
271.09689	9.7
272.06863	2.6
272.10065	0.7
279.11493	1.0
281.08221	2.0
281.12943	0.7
282.08920	2.8
283.09177	8.5
283.11926	6.0
284.10468	20.3
285.11215	2.1
287.09354	0.9
294.63916	0.7
297.11386	5.6
298.08582	1.0
299.12827	6.9
310.08231	1.1
311.09262	0.7
313.10837	2.8
325.11124	1.2
343.13837	2.5
352.35846	0.7
373.26050	0.7
387.10870	5.2
432.19290	0.8
460.18686	2.4
520.13580	1.2
520.20874	18.9
521.20874	1.9
615.24005	1.0
625.46680	0.9
731.25519	100.0
732.13177	1.5
732.25806	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	729.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.4
67.01754	0.4
68.54607	0.2
69.40544	1.0
69.40971	0.7
71.01235	0.3
73.02819	0.2
73.85468	0.2
74.09312	0.2
79.05408	0.3
83.48328	0.2
94.64302	0.2
95.04887	0.6
101.02340	0.2
104.04902	0.3
105.35810	0.2
106.06503	0.7
107.03618	0.3
108.04423	0.4
120.04431	2.2
121.05250	2.0
122.05114	0.3
122.05997	5.6
126.45256	0.2
132.04442	8.5
133.04842	0.3
134.04993	0.4
134.06007	6.5
135.06812	1.3
136.07574	11.3
137.07912	0.5
144.04448	2.4
146.05992	0.3
148.07526	0.3
150.60582	0.2
152.07031	0.3
158.02388	0.2
158.06068	1.0
159.05530	0.3
161.07140	0.8
162.05533	1.5
171.11723	1.9
172.07521	0.2
176.03445	9.4
177.03734	0.4
186.09151	0.8
188.03455	1.5
189.04221	0.4
189.10248	0.4
191.05446	0.4
194.08157	0.5
198.09157	1.8
199.09982	1.6
200.05850	0.4
201.11244	0.4
202.04948	0.3
202.08554	0.2
202.88666	0.2
209.11742	0.8
212.10806	0.3
213.06593	0.3
213.77263	0.2
214.07422	0.4
214.12306	11.4
215.12630	0.7
225.06567	0.6
226.07390	0.7
227.08212	2.3
227.12787	0.2
228.08977	1.0
229.09773	4.2
229.13223	0.3
230.06909	0.3
230.09967	0.3
230.11865	3.4
235.08795	0.3
239.11952	0.3
241.09775	6.9
241.55875	0.2
242.10561	15.0
243.10847	0.8
251.11797	0.9
255.11427	0.9
256.12167	0.9
257.12927	81.3
258.13278	5.5
263.08350	0.4
279.11353	3.6
280.11935	0.4
283.10904	2.3
295.10791	0.2
300.11188	0.4
301.11914	100.0
302.12247	7.0
322.09531	0.2
323.10361	5.0
324.10934	0.3
339.13541	1.0
341.11383	0.4
383.12466	28.5
384.12732	2.0
569.23846	0.6
597.27319	0.3
641.26068	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	729.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	15.8
61.83239	0.5
69.71774	3.1
70.39087	0.5
71.01254	2.6
73.02827	0.9
84.04485	0.6
85.02851	0.5
89.02325	1.1
93.03339	1.1
94.06480	0.6
96.95869	4.0
98.19879	1.0
101.02319	2.1
106.06499	0.7
108.04443	0.7
113.02339	1.0
117.04129	0.5
120.04424	2.0
120.99528	0.5
121.05201	2.4
122.06014	5.5
123.04375	0.5
132.04446	12.8
133.04752	0.5
134.03665	0.7
134.06007	8.4
135.04420	2.3
135.06770	0.9
136.07581	11.0
137.02335	1.3
137.06046	0.7
144.04428	3.0
146.05988	0.5
152.07013	0.6
153.01884	0.7
158.06010	1.1
161.04440	0.5
161.07094	1.1
162.05487	1.9
171.10388	0.6
171.11717	2.1
173.04439	1.4
174.01695	0.5
176.03441	11.1
177.03795	0.7
179.03371	1.5
188.03444	2.2
189.04192	0.8
190.02559	0.6
191.05489	2.1
193.05313	0.5
198.09138	1.9
199.09923	2.0
202.04996	0.8
214.12292	11.9
214.14207	1.0
215.12625	1.2
225.65222	0.6
226.07387	0.5
227.08232	2.1
227.92691	0.5
228.08897	1.3
229.09743	4.5
230.11810	4.5
239.11806	0.6
241.09775	7.6
242.10541	15.4
243.10966	0.8
251.11804	1.2
255.11266	0.7
257.12921	80.6
258.13217	4.7
279.11377	5.3
280.11667	0.8
283.10864	1.1
301.11914	100.0
302.12201	7.4
323.10373	6.9
329.23291	1.1
330.23712	1.2
339.13531	3.7
359.76468	0.6
383.12469	39.4
384.12845	3.7
641.26367	1.2
669.41998	0.7
729.37299	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	729.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85274	0.3
59.00996	0.4
59.01250	6.6
65.73697	0.2
67.01762	0.6
69.33300	2.1
71.01247	0.8
85.02816	0.3
85.40152	0.2
87.00718	0.2
89.02278	0.4
95.04918	0.6
96.95905	0.6
97.48720	0.2
98.20528	0.5
101.02334	0.5
106.06484	0.6
107.46577	0.2
108.04415	0.4
112.03886	0.2
113.02343	0.3
116.80698	0.2
120.04466	1.9
121.05244	1.6
122.06004	4.6
132.04449	5.3
133.04813	0.3
134.06007	6.0
135.06841	1.2
136.01495	0.3
136.07579	10.2
137.08012	0.2
140.24055	0.2
144.04434	0.9
146.05949	0.2
148.07558	0.2
151.00299	0.3
152.07054	0.3
158.06039	0.3
161.07108	0.6
162.05458	0.7
171.11708	1.7
172.07594	0.2
176.03458	2.1
178.99739	0.4
186.09094	0.5
188.03386	0.3
189.10252	0.3
191.05518	0.6
198.09119	1.8
199.09959	1.6
201.11270	0.8
209.11742	3.4
210.12112	0.6
214.12302	10.0
214.78387	0.3
215.12468	0.4
226.07503	0.6
227.08197	1.8
227.12804	0.7
228.08977	1.0
229.09761	3.4
230.06837	0.3
230.11812	3.5
239.11855	0.3
241.09770	6.7
242.10555	13.6
243.10834	0.9
251.11908	0.4
253.09428	0.5
255.11368	0.5
256.12140	0.8
257.12921	73.1
258.13257	4.5
279.11426	2.3
283.10776	0.5
300.11151	0.6
301.11911	100.0
302.12256	6.2
323.10541	1.2
337.08911	0.3
339.13391	2.2
340.13876	0.3
360.63162	0.2
383.12451	5.4
384.12787	0.4
445.21082	0.2
448.89380	0.3
581.24194	0.5
641.26074	2.0
713.27142	0.4
713.75848	0.4
729.32227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20229	0.3
52.20509	0.3
53.07183	0.3
56.52604	0.3
59.01250	22.2
71.01248	2.3
73.02810	0.7
78.95769	1.6
80.86852	0.3
83.04871	0.3
85.02839	0.7
87.00753	0.5
89.02297	1.7
98.20518	1.0
100.45943	0.3
101.02306	2.5
102.26336	0.3
105.26073	0.3
113.02342	1.4
119.03398	0.5
125.09595	0.8
127.11181	1.4
152.99545	1.8
153.09149	0.5
161.04475	1.2
171.10178	91.8
172.10519	4.1
181.71490	0.3
199.09743	0.4
201.11307	0.4
209.11783	1.6
210.12099	0.8
211.12444	0.6
215.87076	0.3
216.42552	0.3
225.11288	0.4
227.12985	0.4
233.22752	0.4
235.08208	3.7
253.09282	7.8
255.23260	3.1
256.23581	0.4
259.20776	0.4
271.75082	0.3
277.21710	100.0
278.22079	9.2
279.23264	1.1
280.23648	1.2
281.24332	0.9
313.81039	0.4
356.56226	0.3
407.19055	1.4
513.30402	0.9
637.37573	0.8
709.39105	1.5
709.50934	0.3
727.40057	0.6
731.40186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.7
60.24888	0.6
63.02269	1.1
65.00194	1.5
65.72239	0.6
70.20900	2.8
78.95798	0.7
83.01269	1.8
85.02832	1.0
89.02317	0.9
93.03348	4.9
95.01260	0.8
96.95896	1.7
101.02326	1.3
107.01247	3.9
109.02837	1.6
111.00751	1.0
113.02303	0.8
123.06506	0.6
125.02357	0.9
132.02087	1.1
135.00771	1.3
135.04393	1.2
136.01637	0.7
137.02330	8.4
143.04895	1.4
151.00272	5.6
151.03899	0.7
159.04375	0.9
163.00294	1.8
164.01015	0.9
167.04929	0.5
168.50293	0.7
169.01410	1.5
171.04379	0.8
178.99797	1.7
179.03435	1.4
183.04456	1.4
185.05963	1.4
187.03935	2.3
189.05487	1.1
191.05542	2.9
199.03906	1.2
201.05379	0.6
207.04953	0.9
211.04010	2.8
213.05553	1.1
227.03444	46.0
228.03763	3.2
229.04996	4.9
239.03499	2.0
241.05066	1.5
243.02841	0.6
255.02960	82.4
256.03558	9.8
257.04556	6.0
281.06613	1.2
283.02463	4.9
284.03244	100.0
285.03976	52.0
286.04312	3.2
327.04926	1.0
339.04849	0.9
341.08679	2.5
429.08096	2.5
506.19199	1.2
567.11389	1.5
609.14575	4.5
729.16638	62.8
730.16998	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	725.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87600	0.6
57.51082	0.7
69.99988	1.4
70.00381	2.0
72.16517	0.7
78.65630	0.8
78.95776	57.6
96.96847	14.6
98.19733	0.9
99.21963	0.8
125.09608	0.9
126.53925	0.7
127.11158	3.1
152.99489	19.8
153.09087	0.8
171.10185	70.5
172.10506	3.5
194.09752	0.8
209.11763	7.1
223.00136	6.1
227.12744	1.0
241.01144	32.8
255.23268	62.0
256.23569	4.6
259.02151	2.1
267.23206	0.9
275.53476	0.9
297.03659	2.2
307.09387	2.3
315.04694	1.3
363.12109	1.1
391.22598	7.5
469.14929	1.4
471.25983	0.8
520.19409	0.9
553.27808	6.9
601.18842	1.0
693.39630	1.6
708.39240	0.8
725.38867	100.0
726.39142	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	725.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.8
58.00457	0.9
59.01250	15.3
60.01582	0.7
61.98698	1.7
69.03326	0.7
71.01248	7.0
71.56763	0.9
72.99180	0.6
73.02822	1.2
78.95757	1.0
83.01251	1.2
83.04868	0.8
85.02825	1.1
87.00748	0.9
88.99162	0.7
89.02327	3.8
95.01260	0.9
95.04876	1.5
96.95856	1.1
97.06451	3.5
101.02309	4.7
109.06551	0.6
113.02304	1.8
119.03354	0.9
125.02379	0.7
151.11185	14.9
161.04478	1.5
164.15999	0.6
169.12245	100.0
170.12605	3.4
179.05623	0.7
195.10167	1.9
195.13770	3.6
197.11841	0.8
207.57239	0.6
209.11697	1.9
213.11263	13.5
223.13289	3.2
235.08150	1.4
247.51627	0.6
253.09236	4.9
275.20038	1.8
279.23236	1.0
293.21194	13.3
294.21561	1.2
316.25446	0.6
375.10098	0.7
431.19394	3.3
449.20258	7.3
618.51544	0.8
725.41132	97.5
726.41333	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	727.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	23.9
59.99963	1.2
61.98697	3.4
69.03307	1.4
71.01244	10.1
71.57924	1.5
71.58317	1.9
73.02817	3.9
78.95763	3.1
81.03283	2.0
83.01273	2.2
83.04885	2.5
85.02813	6.3
87.00731	3.9
88.98669	1.5
89.02312	3.4
93.03333	3.6
96.95898	11.2
101.02315	6.3
102.05157	1.4
113.02309	5.7
119.03371	2.5
119.04935	2.2
125.09673	1.5
132.04411	2.8
133.02841	1.7
134.03607	3.1
134.05992	4.5
135.04378	5.8
137.02283	2.4
143.03482	1.7
149.05975	1.9
159.04350	1.8
161.02325	1.9
161.04445	3.2
163.11186	2.6
165.12801	2.7
173.04425	4.3
176.03488	1.6
178.99770	1.4
179.03368	2.3
191.05536	17.6
193.05023	3.2
193.12103	1.6
201.11253	24.2
209.11765	100.0
210.12082	6.3
212.10735	1.7
227.10783	1.6
227.12846	24.5
228.13225	1.5
235.08232	6.7
253.09229	8.2
255.11363	18.6
270.51270	1.6
279.11386	1.6
299.10373	18.4
300.10712	1.5
317.07901	1.9
429.79007	1.5
437.20135	2.5
445.20767	12.8
579.22076	2.4
629.31494	3.0
639.24554	2.2
650.26868	1.6
667.39673	2.1
673.33435	1.6
727.33203	21.8
728.33582	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	727.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.5
60.01582	0.3
70.09770	1.1
70.23064	0.2
71.01244	1.4
78.95769	1.3
83.04883	0.2
85.02827	0.5
87.00751	0.3
89.02303	1.1
101.02318	1.6
113.02347	0.8
119.03369	0.3
123.37134	0.2
125.09604	0.8
127.11195	1.6
130.51085	0.2
145.04926	0.3
152.86420	0.2
152.99493	0.9
161.04472	0.8
171.10173	100.0
172.10509	4.0
179.05478	0.4
199.09798	0.2
209.11763	0.7
225.11275	0.4
235.08191	1.5
247.90025	0.2
253.09232	5.8
255.23221	2.1
256.23715	0.3
277.21701	48.0
278.22025	4.6
407.19122	2.5
436.25031	0.3
513.30231	0.3
637.37341	0.5
709.39368	1.0
727.39960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63638	1.9
59.01250	100.0
61.98691	2.7
70.59918	4.4
70.60281	3.7
84.44769	1.7
93.03374	2.7
96.95931	3.5
106.06506	14.5
113.02280	1.7
122.06010	14.2
134.03653	4.1
134.06013	64.2
135.06367	1.7
147.53949	2.0
148.66220	1.8
152.07074	12.3
152.99536	2.1
173.04454	2.4
191.05580	2.2
194.08279	3.2
197.11754	8.1
209.11754	5.3
247.08807	2.3
275.09045	3.2
309.20740	2.3
341.11484	2.2
352.10638	2.7
352.14728	2.3
354.12473	8.3
355.13605	2.1
367.09512	4.0
368.10242	5.5
368.14246	2.9
369.15042	3.6
370.15485	13.5
380.10242	3.2
380.14429	2.4
382.11545	12.1
382.16141	3.7
383.12589	11.2
394.11798	5.3
395.12570	2.4
396.13428	4.5
398.15042	38.2
399.15326	4.5
408.13376	2.6
409.14194	2.8
410.15079	21.7
411.15814	5.3
424.16626	5.4
430.17581	6.2
501.19455	3.9
502.20126	2.7
503.20566	2.7
517.22461	3.6
529.18854	2.8
530.19702	3.0
545.21887	33.2
546.22168	4.0
563.23010	4.0
577.24603	21.5
578.25256	3.4
605.24060	68.2
606.24567	9.0
621.23669	3.0
631.22504	2.7
637.26660	31.4
638.27057	3.0
639.25415	2.3
649.12164	4.1
649.22980	68.7
650.23492	9.8
681.25708	20.2
682.26227	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	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21157	0.2
54.50695	0.2
55.01751	0.3
57.03331	0.2
58.00465	0.3
58.89617	0.2
59.01247	4.8
66.07941	0.2
70.81110	0.3
70.81467	0.2
70.89419	0.2
71.01254	3.3
72.99142	0.2
73.02842	0.8
78.95773	0.5
80.02546	1.0
81.03329	1.0
83.01251	0.4
83.04889	4.7
84.02030	0.7
85.02835	0.7
87.00737	0.6
89.02310	2.0
93.03296	0.2
95.01253	0.3
95.04894	0.6
97.02820	0.4
97.06448	0.2
98.20166	0.2
99.04397	0.2
101.02316	2.6
109.06476	0.5
113.02331	1.6
119.03366	0.5
125.05965	0.6
125.09566	0.2
130.64117	0.2
133.04961	0.3
135.08089	0.5
143.03383	0.3
145.04974	0.5
152.99495	0.7
161.04428	1.1
163.11215	3.0
164.11481	0.3
165.12785	2.0
172.51787	0.2
179.05536	0.2
181.12268	0.7
191.10747	1.0
207.10239	0.3
209.11760	100.0
210.12106	4.7
214.52367	0.2
225.11307	0.4
227.12827	10.1
228.13168	0.6
235.08150	2.9
253.09256	7.9
254.09663	0.3
259.20697	0.2
277.21701	71.5
278.22046	5.7
279.23245	0.7
329.74969	0.2
435.21030	0.2
445.20883	0.6
469.14426	0.3
525.66534	0.2
705.36346	0.4
723.41931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.7
60.99177	0.7
67.01766	1.5
69.03349	0.6
69.73570	3.2
71.01249	1.6
72.96642	0.5
72.99175	1.8
79.95602	1.3
83.04846	0.6
85.02815	10.7
85.35965	0.6
87.00758	4.0
93.03333	15.9
96.95891	27.8
98.95484	1.2
99.04370	0.6
100.48691	0.6
108.02071	3.8
109.02856	2.8
111.04407	1.5
119.04838	0.6
121.02844	2.2
123.04398	2.2
127.03899	2.9
133.02881	4.6
135.04434	1.7
149.02345	0.8
151.02679	0.7
151.03906	9.9
155.03450	0.8
163.03958	0.6
170.91092	0.6
171.02910	0.9
173.04468	8.2
177.01865	3.7
178.02687	1.0
179.03265	0.7
191.05536	100.0
192.05911	4.7
195.02942	3.8
207.05069	1.3
227.03561	0.8
247.04491	1.0
255.02942	2.3
284.03271	3.4
303.09100	1.1
305.07050	1.0
305.10590	11.5
306.10825	0.8
337.09338	7.5
338.09784	0.7
353.08588	1.0
369.08252	1.5
387.09204	3.7
543.39813	0.6
725.18884	2.9
725.39594	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	725.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01441	0.4
59.01253	0.9
70.92320	0.6
70.92664	0.7
71.01255	1.2
72.99170	1.5
73.02805	1.1
81.03349	0.7
83.04901	0.5
85.02822	5.2
87.00750	1.2
95.01284	0.6
96.95888	33.0
98.95461	1.0
99.00763	2.2
101.02318	1.9
108.02046	0.5
109.02837	3.1
117.01844	0.8
119.04925	0.6
121.02861	0.9
125.02344	0.7
126.27207	0.4
127.03901	2.3
127.68220	0.4
129.01822	4.4
135.04378	0.9
147.02838	0.8
163.03867	0.9
173.04448	0.9
179.03378	0.4
189.04004	0.8
191.05513	1.9
207.05037	100.0
208.05376	3.6
247.07883	0.5
249.06015	0.6
303.09064	17.5
304.09439	1.4
340.53683	0.4
353.08716	11.7
354.09149	1.4
371.09518	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	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.1
57.03312	0.1
58.00466	0.2
59.01247	3.3
68.24201	0.1
69.68159	0.1
70.63013	0.3
70.63338	0.2
71.01246	2.4
73.02817	0.3
75.12669	0.1
78.95773	0.7
80.02560	0.9
81.03319	0.9
82.52145	0.1
83.01255	0.4
83.04897	4.2
84.02029	0.7
85.02840	0.8
87.00797	0.3
89.02318	1.8
95.04880	0.6
97.02818	0.3
97.06447	0.3
101.02330	2.0
105.26794	0.1
107.34821	0.1
109.06467	0.4
112.45642	0.1
113.02349	1.2
116.83842	0.1
119.03391	0.4
125.02369	0.2
125.05982	0.4
125.09624	0.2
135.08034	0.5
143.03357	0.2
145.04982	0.2
147.11723	0.1
152.99507	0.9
153.00560	0.1
155.10681	0.3
161.04512	0.8
163.11189	3.4
164.11493	0.3
165.12767	2.2
172.47501	0.1
179.05531	0.2
181.12263	0.5
191.10698	0.8
199.13324	0.2
202.78535	0.1
207.10225	0.6
209.11766	100.0
210.12102	6.2
214.70752	0.2
214.80098	0.1
223.09627	0.2
225.11209	0.4
227.12837	10.0
228.13187	0.5
235.08203	1.4
253.09258	7.0
253.21700	0.2
254.09871	0.3
277.21710	47.4
278.22067	5.0
279.23361	1.0
445.20966	0.8
463.21851	0.2
467.43509	0.2
469.14673	0.8
547.33722	0.2
668.28357	0.2
705.35901	1.0
723.42737	0.4
749.49036	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	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.3
59.01248	7.0
59.18901	0.2
60.01588	0.2
60.65945	0.2
61.98712	0.2
63.41053	0.2
71.01245	2.7
71.04902	0.3
71.13128	0.5
72.25160	0.2
73.02820	0.7
75.00733	0.3
78.95773	1.0
80.02554	1.1
81.03326	0.7
82.34739	0.3
83.01244	0.4
83.04889	4.4
84.02027	0.5
85.02810	0.5
87.00752	0.5
89.02311	2.1
95.04906	0.7
101.02311	2.4
104.57809	0.2
106.41960	0.2
109.06435	0.5
113.02316	1.0
119.03399	0.5
125.05927	0.6
125.09662	0.3
132.28046	0.2
135.08049	0.5
141.95232	0.2
152.99487	0.9
155.10599	0.3
161.04439	0.9
163.11168	3.9
165.12747	2.2
171.10141	0.3
179.05495	0.4
181.12247	0.5
191.10709	1.0
199.13399	0.3
207.10147	1.1
208.10614	0.3
209.11760	100.0
210.12091	6.1
211.13281	0.3
225.11354	1.3
226.11562	0.5
227.12825	13.3
228.13184	1.0
235.08182	1.6
253.09258	7.6
254.09474	0.3
277.21704	52.2
278.22052	4.8
279.23181	1.2
445.20523	0.9
469.14288	0.6
564.85193	0.2
705.36182	0.5
723.42773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98697	11.4
71.01252	13.2
73.02818	4.4
75.09076	1.5
78.95792	1.7
81.03365	1.4
81.87979	1.3
84.61436	1.1
85.02818	5.4
93.03326	2.1
96.95905	2.7
97.02812	1.7
99.00762	1.8
101.02308	5.4
113.02294	2.4
120.43575	1.2
123.08565	1.2
139.94492	1.3
141.81911	1.2
161.04428	1.8
171.10143	1.6
173.04335	2.1
191.05524	9.9
209.11798	4.3
211.13280	2.7
213.27078	1.3
221.11510	1.5
225.11172	1.4
244.61450	1.5
267.67261	1.4
323.21988	1.8
453.28625	4.5
495.29709	4.2
583.25275	1.3
635.41028	2.8
636.69257	1.5
642.14691	1.3
677.36945	1.6
688.13446	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	723.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24587	2.8
57.03345	3.1
59.01251	100.0
61.98703	21.3
71.01252	26.4
71.15119	6.7
78.95779	4.0
80.23647	2.7
85.02840	3.4
87.00758	3.2
89.02316	4.8
96.95868	6.4
101.02278	4.7
109.06490	5.1
125.09613	4.5
135.04449	3.0
139.30003	2.9
163.11176	4.2
169.12387	4.4
171.10170	25.9
182.01959	3.0
191.05504	4.7
197.11777	29.0
199.13370	3.7
201.11295	8.6
203.15187	3.5
207.10228	11.5
209.11780	33.4
211.13329	4.8
225.11336	7.9
227.12979	3.6
233.11583	7.0
253.09290	5.9
263.20410	3.4
276.03256	3.8
289.18240	9.6
331.18729	4.0
391.20978	6.2
657.11456	4.1
736.95691	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	723.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.3
59.01251	11.3
61.98693	1.0
70.60391	3.1
70.78538	0.8
71.01257	7.0
72.99191	1.1
73.02821	2.0
78.95753	1.2
79.02820	0.8
81.03326	1.4
83.01239	1.1
83.04892	4.0
85.02832	3.7
87.00760	2.4
89.02306	4.6
93.03360	2.0
96.95887	7.4
99.00813	1.2
99.04407	0.9
101.02306	5.1
105.95742	0.8
109.02864	0.8
113.02308	2.6
118.97962	1.0
119.03378	1.5
120.00057	0.8
125.06026	1.0
125.09599	1.2
127.11173	1.7
135.04376	1.7
137.02364	1.5
141.96346	0.8
155.10677	0.9
159.04454	1.0
161.04471	1.9
162.03273	0.8
163.11195	3.7
165.09079	0.9
165.12794	1.9
169.12254	1.5
171.10121	5.6
173.04469	2.2
179.05643	1.4
189.05402	0.9
191.05528	8.2
197.11790	0.9
201.11246	22.7
202.11513	1.2
207.10068	1.2
209.11768	100.0
210.12132	5.7
217.06311	0.9
221.11868	1.0
225.11235	1.5
227.12866	14.2
235.08121	2.4
253.09250	7.8
342.57605	0.8
445.20813	4.8
579.23639	0.9
679.32971	1.2
693.24603	0.9
723.28754	1.2
739.91296	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	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03316	2.5
59.01252	14.9
60.50978	0.7
61.98694	1.6
67.01763	0.7
69.03318	0.7
70.56976	1.9
70.57323	0.8
71.01241	8.0
71.04894	3.2
73.02813	2.4
75.00764	0.7
80.02526	1.5
80.23388	0.8
81.03334	1.5
83.01243	1.8
83.04901	5.8
85.02821	1.9
87.00746	2.5
89.02319	4.7
93.03321	3.0
94.97961	0.7
95.01215	0.8
95.04888	1.4
96.95905	3.5
97.02821	3.1
97.06457	4.0
99.00760	20.5
100.45770	0.6
101.02327	5.6
109.06477	1.5
111.04409	0.8
113.02345	2.4
123.08047	2.0
125.09603	9.5
127.11141	1.2
135.07996	1.8
137.02319	1.0
142.02646	1.1
153.12720	1.1
155.03395	0.9
155.10681	5.8
161.04454	1.3
162.85463	0.7
163.11211	15.8
164.11403	0.7
165.12772	1.5
171.10178	9.4
173.04482	4.8
181.12257	19.5
182.12669	0.9
182.38091	0.7
191.05550	3.2
191.10666	0.7
197.11682	2.1
199.09683	0.8
199.13318	13.6
201.11348	0.7
207.04842	0.7
207.10196	28.2
208.10628	1.0
209.11772	48.2
210.12096	3.4
225.11281	42.6
226.11597	1.3
227.12711	3.5
235.08154	1.2
239.35216	0.7
243.12352	21.4
244.12589	2.1
253.09297	3.9
414.03336	0.8
417.42438	0.7
445.20618	1.1
461.19958	1.8
479.21317	8.2
671.32861	2.8
689.33893	100.0
690.34296	16.9
721.35376	3.1
721.44885	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	721.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94361	0.9
57.03323	0.9
59.01250	100.0
60.01567	1.4
61.98694	3.4
71.01249	15.2
71.17474	1.0
71.17816	1.2
71.82979	1.0
73.02818	4.4
78.95755	2.7
79.00928	0.9
83.01231	1.2
83.04875	0.9
85.02809	4.2
89.02321	1.2
93.03315	1.3
96.95882	0.9
99.00735	1.7
101.02306	5.9
113.02307	3.6
117.25422	1.0
125.09602	1.1
150.77997	1.0
161.04391	2.5
163.11157	1.5
173.04388	1.1
174.23029	0.8
191.05531	7.1
197.11642	1.3
199.13434	1.1
207.10184	2.3
209.11790	5.7
225.11275	3.6
227.13031	1.4
253.09131	1.2
503.33453	2.5
521.34833	6.4
535.32147	1.2
553.34668	1.4
561.33929	1.3
563.35846	13.3
564.36542	1.5
595.34827	22.2
595.43018	0.8
596.26233	1.3
596.35187	4.3
722.37811	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	721.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90631	0.8
55.01758	1.6
57.03325	1.2
57.30220	0.9
59.01246	13.7
59.02081	0.8
61.98694	2.1
71.01247	9.9
71.04887	4.5
71.13648	2.2
73.02795	1.4
75.16158	1.0
80.02551	2.0
81.03357	1.5
81.71198	0.9
83.01266	1.5
83.04900	8.0
84.02044	0.9
85.02835	2.5
87.00748	1.8
89.02319	4.3
93.03320	1.0
95.01229	1.2
95.04877	1.8
96.95880	1.2
97.02838	5.3
97.06475	2.3
99.00758	18.6
101.02320	7.0
102.32928	0.8
109.06485	2.4
110.03661	0.9
113.02331	3.5
115.13165	0.8
119.03405	1.1
123.08051	1.8
124.34330	0.9
125.09600	7.6
127.11120	1.5
135.08051	1.8
142.02631	1.6
153.12706	1.0
155.10710	1.0
161.04424	1.5
163.11188	13.7
165.12746	3.0
171.10164	2.4
176.14258	0.9
177.01924	1.2
179.10675	1.0
181.12260	20.7
182.12657	1.5
191.05481	2.8
197.11771	2.7
199.13322	28.6
200.13646	1.3
207.10199	40.6
208.10478	2.5
209.11760	86.5
210.12080	4.2
215.12872	0.9
225.11269	70.0
226.11598	5.3
227.12823	12.1
235.08052	1.2
243.12352	20.0
253.09325	4.5
443.18845	0.9
461.20239	7.0
479.21432	3.0
549.12451	0.8
653.31293	5.5
671.32587	5.9
689.33899	100.0
690.34210	18.9
708.13654	0.9
721.36462	38.7
722.37097	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	719.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61486	1.1
57.03312	2.3
57.80853	1.1
59.01247	21.4
61.04865	1.4
61.98694	4.4
69.03317	1.8
71.01250	12.8
71.57994	1.1
71.58414	1.8
72.99181	1.1
73.02811	4.7
75.00727	1.4
80.02527	1.7
80.96396	1.9
81.03344	2.7
83.01274	1.3
83.02375	1.3
83.04890	8.1
84.02024	2.3
85.02804	4.5
87.00735	3.9
89.02304	5.1
93.03304	2.0
95.04887	1.6
96.95878	11.8
97.06429	1.4
98.95425	1.7
99.00719	1.4
101.02333	8.9
104.90634	1.1
109.06477	2.0
111.04395	1.5
113.02335	6.6
115.42805	1.1
119.03345	1.5
125.02306	1.7
125.09588	1.8
127.03866	4.9
135.04369	1.8
135.08000	1.4
137.02257	2.0
137.09589	1.5
137.96005	1.1
143.03394	1.5
152.03442	1.0
152.99438	1.3
153.12737	2.3
155.10696	2.1
156.13828	1.2
158.21487	1.2
161.04474	2.3
161.09584	1.3
163.11188	6.2
165.12723	4.3
169.12259	39.7
171.10127	4.0
173.04356	2.7
178.80208	1.1
179.03264	1.5
179.10666	2.5
181.12270	1.9
182.12367	1.2
190.66783	1.5
191.05566	8.8
197.11757	76.4
198.12094	3.3
199.13326	1.8
207.10139	1.7
209.11761	100.0
210.12122	6.9
223.09676	1.9
225.11404	1.3
227.12801	9.9
235.08174	2.2
253.09311	5.9
429.28400	1.2
445.78677	1.2
506.93845	1.2
669.30542	1.5
687.32306	72.8
688.32721	11.7
719.34882	62.9
720.35315	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	721.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47584	1.2
55.10796	1.3
59.01251	100.0
60.01559	1.7
61.98694	3.4
62.45691	1.2
69.03338	2.3
69.73804	1.4
71.01256	32.0
72.99191	2.2
73.02814	4.1
78.95784	2.6
81.03336	1.9
82.43702	1.3
83.01248	1.9
83.04908	2.5
85.02831	6.5
87.00752	4.9
89.02311	16.9
93.03367	1.7
97.02811	2.4
101.02320	16.8
113.02357	8.0
119.03412	6.1
125.02341	7.4
125.09546	1.9
127.03883	1.5
143.03419	2.7
161.04460	2.2
163.11186	2.3
171.10109	2.4
173.04474	2.4
176.46928	1.3
179.05598	2.8
181.12292	1.5
191.05518	3.7
197.11836	2.0
200.45049	1.5
209.11749	22.4
211.13474	1.5
225.11247	3.4
229.75298	1.6
235.08173	6.3
253.09363	2.5
263.20132	39.3
264.20392	2.5
287.07806	2.5
293.21170	7.9
305.08704	2.0
397.13519	54.0
398.13916	4.2
415.14523	20.2
416.14859	1.9
444.91650	1.5
504.89526	1.5
645.71075	1.7
691.88855	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	716.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84571	0.2
55.58635	0.2
56.79977	0.2
59.01247	0.9
61.98699	100.0
69.64225	1.2
71.01252	0.8
78.95779	0.3
89.02303	0.9
92.26402	0.2
98.20497	0.4
101.02330	0.5
102.02663	0.2
113.02328	0.3
119.03413	0.3
137.87547	0.2
155.94827	0.2
223.24509	0.2
255.23315	0.8
256.23514	1.3
257.23935	0.4
277.21802	0.4
397.13907	0.6
398.13724	1.0
399.13873	1.4
400.14279	1.1
417.15253	0.4
418.15454	0.3
645.41705	0.2
716.41199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	6.3
69.30744	1.5
70.10280	6.8
71.01240	6.4
71.04880	2.8
71.49310	1.9
80.53173	1.6
86.38758	1.8
89.28398	1.6
97.02810	2.9
99.00755	10.0
101.02328	4.9
113.02365	2.6
118.97218	1.6
125.09613	5.1
161.04512	1.9
163.11188	5.4
171.10208	6.2
181.12326	9.5
199.13321	10.4
207.10205	23.5
218.47113	1.6
225.09207	3.2
225.11287	34.1
243.12294	8.1
253.09201	2.6
255.23283	88.1
256.23611	6.7
273.23746	1.9
480.86420	1.8
699.42828	3.6
717.44348	100.0
718.44708	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	719.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
56.38164	0.5
56.84905	0.5
57.03326	0.9
58.00464	0.6
59.01257	7.1
62.34507	0.5
69.03318	5.0
71.01252	5.9
71.04893	2.1
71.18605	1.3
73.02821	1.3
73.98656	0.5
80.02554	1.7
81.03343	1.8
83.01243	0.8
83.04902	6.5
84.02036	1.2
85.02818	1.7
87.00760	1.5
89.02313	3.2
95.01270	0.9
95.04890	1.0
96.95902	0.7
97.02843	0.8
97.06481	0.9
99.00773	0.7
101.02322	4.4
109.06488	1.2
111.00772	0.8
111.08103	0.6
113.02321	1.5
123.08049	1.1
125.05973	0.9
125.09627	2.4
126.53334	0.5
135.08037	0.7
137.09647	0.8
149.09666	0.7
151.11180	3.2
153.12756	1.6
161.04459	1.9
161.09642	4.6
163.11195	4.3
165.12787	2.8
171.10115	0.6
179.10684	9.3
181.12184	0.7
191.10739	1.2
195.30800	0.5
197.11766	78.1
198.12085	5.1
209.11772	67.2
210.12074	4.7
223.09752	1.2
227.12802	5.7
235.08292	1.0
241.10797	4.3
253.09248	4.1
477.19757	2.6
669.31207	0.8
687.32306	100.0
688.32672	15.2
719.34955	23.9
720.35468	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	715.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24370	0.7
57.03312	2.6
59.00985	1.0
59.01252	12.9
60.25048	0.7
61.98706	4.5
63.02270	7.1
65.00193	7.0
70.45101	1.8
70.45454	1.5
71.01239	3.2
71.04908	0.7
73.02805	1.6
78.95765	2.3
79.95573	0.8
83.01263	8.1
83.04884	0.7
85.02806	2.2
87.00716	0.9
89.02316	1.7
93.03356	1.8
95.01269	1.0
96.95889	7.4
99.00762	1.0
101.02304	2.8
107.01270	17.8
109.02825	1.2
111.04369	0.8
113.02294	1.5
119.04931	1.2
122.05978	0.8
123.00735	1.4
124.01543	4.4
125.02338	8.8
127.03896	1.2
133.02850	0.9
134.03551	1.2
135.00835	0.9
135.04393	2.4
135.08026	1.6
137.02319	2.2
137.05969	1.0
146.03606	1.9
151.00276	60.4
151.07558	0.8
152.01051	9.0
153.01738	2.3
159.04361	1.9
161.04482	0.7
163.00221	1.3
169.01331	13.6
172.05196	1.4
173.04442	1.9
173.05917	1.8
174.02963	0.8
175.03911	0.9
177.01744	1.0
178.99782	100.0
179.03091	2.3
180.00095	3.4
187.03813	0.9
188.04727	1.3
190.99741	1.1
191.05574	5.3
200.04681	2.7
201.05467	1.1
209.11758	3.3
213.05540	0.8
228.04193	1.2
239.03641	0.9
243.02870	2.0
252.04147	0.9
255.02853	1.2
267.06332	0.9
269.11832	1.0
271.02527	4.3
272.03024	1.0
277.04782	0.9
285.14694	0.9
287.12741	1.1
295.13394	1.3
299.01996	4.3
300.02719	8.6
301.03101	0.8
311.12726	5.2
313.14471	1.4
323.12701	1.5
329.13953	4.2
330.14264	0.9
331.15417	1.7
341.13748	1.9
355.11987	1.4
367.11765	2.6
385.12747	1.8
447.14874	1.0
475.13699	2.7
493.15131	7.2
494.15298	1.3
510.35025	1.1
511.16101	36.2
512.16425	5.7
589.18439	1.0
639.81006	0.9
671.26373	1.5
715.22174	29.2
716.22614	7.9
749.89917	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	715.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07931	1.9
59.01236	8.2
64.85739	2.0
69.03313	7.1
70.73094	6.0
71.01240	8.1
71.04898	2.3
71.58663	1.8
83.04892	2.1
89.02310	3.0
98.54440	1.9
101.02306	6.9
113.02306	2.7
131.45659	2.0
151.11151	3.5
161.09598	4.8
176.08110	1.8
179.10695	8.3
197.11763	47.8
209.11722	3.0
253.09097	3.4
255.23254	96.9
256.23633	8.9
269.24799	2.9
286.06656	2.8
348.15732	2.0
715.42731	100.0
716.43323	24.3
737.00793	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76342	2.0
55.50549	2.0
57.03325	3.4
59.01249	51.6
61.98687	7.6
63.02273	14.3
65.00201	14.9
69.26541	11.8
69.26978	11.1
71.01244	14.3
73.02821	10.2
78.95768	2.9
83.01254	13.4
83.04876	1.9
85.02838	4.0
87.00751	3.1
89.02319	6.7
93.03351	2.9
95.01275	3.2
96.95889	15.4
98.19799	3.3
101.02310	7.1
106.06510	3.6
107.01266	30.1
108.04435	2.2
109.02779	2.3
111.00787	2.1
113.02315	6.3
113.36205	2.2
114.02633	2.0
122.05996	8.2
124.00787	2.3
124.01524	13.4
125.02338	34.8
128.74571	2.5
134.06004	19.8
135.04398	6.7
135.08025	5.9
136.07562	2.4
137.02350	3.7
137.09579	5.2
145.02864	3.8
150.06755	3.5
151.00269	100.0
152.01057	28.8
155.10675	21.1
159.04376	3.8
159.76735	2.2
161.04520	3.0
163.07553	2.9
169.01337	24.7
169.54042	2.1
172.05238	4.0
173.04530	4.7
173.05965	6.2
174.03087	2.4
177.08986	3.0
178.99780	82.7
179.03319	3.9
179.10649	3.9
180.00159	2.9
185.05998	2.7
188.04680	3.1
190.02617	3.1
191.05502	8.9
197.06004	4.0
199.09715	11.1
201.05518	7.8
208.05223	2.1
209.11862	3.9
212.04686	4.9
215.07204	2.3
222.06758	3.0
224.04733	2.5
225.05585	3.9
226.11386	2.1
235.08817	2.4
237.10417	2.8
239.11870	5.2
240.04257	3.8
241.10661	3.3
241.13158	2.5
243.03069	2.2
249.05426	2.9
249.10335	2.8
251.11967	4.1
255.02846	2.9
255.11375	4.6
257.12845	7.6
263.07465	2.6
267.06598	2.2
277.09689	3.5
278.10522	2.1
279.11200	4.7
279.13910	4.0
285.12357	6.6
285.14999	4.9
291.06522	3.0
293.09238	6.2
295.10757	5.2
295.13635	2.8
299.02075	3.5
299.10660	2.4
301.12027	7.0
305.09277	2.7
307.10797	3.3
308.03156	9.8
309.03867	4.9
313.14560	13.3
323.12930	5.7
325.03546	3.4
331.15414	9.2
336.02762	4.0
337.08157	3.0
339.12820	4.3
341.13931	49.0
342.14380	6.1
347.12808	4.0
353.09824	2.8
355.12177	2.9
358.15549	4.3
365.14221	4.5
367.11841	24.1
379.15887	3.1
383.14865	3.9
384.12384	6.7
385.13254	2.7
389.13812	2.8
400.16623	3.4
403.15497	3.9
407.14758	6.0
410.93301	2.2
412.16507	3.0
419.15005	4.2
428.11505	2.4
431.14929	3.7
442.17908	2.7
447.14441	20.2
448.14993	5.1
449.16095	5.0
460.18500	2.3
474.20273	2.8
475.13995	97.2
476.14285	10.8
486.16919	3.1
492.14264	25.4
493.15036	35.2
494.15527	3.0
510.36014	3.8
511.16412	2.6
511.36267	8.9
516.21191	3.4
523.81775	2.2
535.21912	3.3
546.18616	3.4
560.20435	10.9
563.21399	4.6
578.21283	3.2
589.19275	59.1
590.19269	6.4
592.22961	12.7
607.25549	8.0
623.25226	3.3
639.24347	12.0
651.24396	3.3
683.27448	15.9
697.21295	9.6
698.21381	2.9
715.22192	9.6
715.36377	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	713.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76902	0.3
54.83673	0.3
56.33957	0.3
59.01241	0.4
63.35440	0.3
64.94782	0.3
69.22490	0.4
69.73244	0.3
81.03326	0.4
83.04857	0.4
90.74680	0.4
96.95864	0.3
98.50192	0.3
135.04399	1.1
179.03418	0.6
191.05592	0.5
202.70633	0.3
229.20505	0.3
229.79468	0.3
677.49579	2.9
678.50342	0.5
681.81213	0.4
713.47314	100.0
714.47638	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	715.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	5.2
59.01249	34.3
61.98687	8.1
63.02270	13.7
65.00194	15.2
69.03304	1.3
69.44075	1.2
70.87299	2.9
70.87627	2.0
71.01241	13.0
72.99139	2.7
73.02824	8.8
78.95781	2.0
79.95594	1.9
80.96392	3.0
83.01252	18.9
83.04888	1.7
85.02818	4.2
87.00761	1.4
89.02315	2.9
93.03323	1.4
95.01251	3.1
96.95888	21.2
97.02825	1.5
101.02309	6.5
107.01266	30.3
108.08028	1.5
109.06444	1.6
111.00720	1.9
111.04403	1.8
113.02315	4.6
120.05688	1.7
122.06001	4.1
123.00753	1.8
124.01550	17.7
125.02351	34.0
127.03901	4.0
134.03625	2.2
134.05989	5.0
135.04337	2.4
135.08038	12.5
137.02365	3.0
137.05922	1.4
139.73276	1.4
151.00273	99.6
151.07471	2.5
152.01073	28.6
152.07002	2.0
153.01801	3.3
159.04427	2.4
161.02321	2.4
162.06790	1.6
163.00241	2.9
165.01907	2.0
165.05466	2.1
169.01315	25.9
172.05219	3.0
173.04477	2.9
173.05946	3.8
174.01686	2.7
174.03122	2.8
177.09055	2.0
178.99777	92.3
180.00063	3.4
185.06049	2.3
186.06757	1.5
187.03795	2.3
190.02625	2.8
190.99704	1.6
191.05544	6.7
197.06013	6.1
199.03816	1.7
200.04639	1.5
201.01688	2.7
201.05450	4.8
209.11842	3.1
211.04094	3.3
211.07523	1.9
212.04622	3.0
216.06573	1.4
220.05228	2.6
224.04724	2.8
225.05460	4.6
237.05493	1.8
239.11731	1.8
240.04364	2.4
243.02956	2.0
244.03632	1.9
246.06754	3.2
248.04605	2.5
249.05516	4.1
253.05064	1.7
257.12827	5.4
257.15454	2.8
262.06027	1.4
263.06961	2.5
265.13397	1.4
269.15500	1.8
271.02615	2.5
279.13968	4.4
285.15067	6.9
290.05969	2.8
291.06381	2.2
295.02353	1.6
295.13403	4.9
299.01859	4.1
300.02637	3.6
301.11896	4.1
303.15900	2.4
305.21194	2.1
307.02301	2.3
308.03268	11.7
309.03806	2.6
313.14481	11.8
319.13144	3.2
322.04993	1.7
323.12814	3.3
324.02512	2.0
325.03473	2.1
329.13943	4.4
330.14450	3.3
331.15384	13.6
336.02670	3.4
337.14334	2.7
339.12448	3.1
341.13892	50.5
342.14258	6.3
347.12900	3.4
351.15872	1.6
355.11902	3.5
365.13766	5.7
367.11813	26.0
368.12195	2.3
379.15784	3.1
383.14999	4.4
384.12097	4.9
385.12891	2.1
386.18427	2.0
389.13834	2.5
390.81656	1.6
391.15457	2.1
403.15521	1.8
405.13641	2.9
407.14941	9.0
419.15054	4.6
431.14844	4.8
447.14456	17.5
448.14865	5.9
449.15836	5.1
465.15213	2.2
475.13980	100.0
475.28784	2.8
476.14142	11.9
481.14142	1.6
483.16797	1.9
492.14154	24.0
493.14957	31.4
494.15054	5.4
504.21310	3.6
511.16086	5.7
563.20911	5.5
583.27802	1.8
589.19238	57.1
590.19830	9.8
627.27637	2.3
655.40552	2.1
683.27570	3.6
697.21075	13.6
715.21313	19.7
715.30670	3.4
715.42047	2.1
716.22943	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	711.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12420	2.3
59.01252	37.2
61.98691	8.1
70.09329	5.6
70.09718	5.3
71.01246	22.1
73.02808	5.6
83.01241	3.4
85.02827	5.8
87.00743	6.5
87.14378	2.0
88.35611	2.1
89.02309	23.6
94.97900	2.8
95.01243	3.0
95.87439	2.3
97.02831	6.0
97.57449	2.4
101.02317	18.9
113.02319	8.0
114.07475	2.1
119.03360	6.7
122.97557	2.4
125.02324	8.7
154.88797	12.7
161.04425	5.8
179.05492	3.0
186.79182	2.4
196.89819	9.1
226.90933	8.5
235.08237	12.5
253.09238	3.0
253.21686	73.2
254.22066	5.0
287.07751	4.1
372.96530	11.3
390.97659	12.1
397.13480	100.0
398.13675	6.5
415.14633	28.8
416.14871	3.0
651.19147	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	713.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00943	1.2
59.01249	20.4
60.15738	0.7
61.98690	2.2
69.29549	3.8
69.29977	4.1
73.04259	0.7
83.09160	0.8
85.94801	0.8
92.04909	1.1
96.92902	0.7
98.19820	1.7
106.06506	3.4
111.52903	0.8
120.04446	1.6
120.08080	3.9
121.05189	3.2
122.06009	20.6
132.04433	2.7
134.06027	10.9
148.07588	1.4
160.06322	8.3
170.09634	0.9
181.71480	0.8
197.07123	1.1
198.12820	1.4
213.10272	44.4
214.10442	2.5
225.10266	3.8
226.11024	4.0
239.11830	9.4
241.13431	27.3
242.13737	2.6
251.11885	3.0
267.11404	2.6
267.14969	8.2
268.15182	0.9
269.12936	2.6
275.32910	0.8
279.11380	11.6
280.11649	1.1
280.50046	0.9
285.12445	100.0
286.12750	9.3
311.13852	0.9
316.14569	1.7
329.15155	1.0
331.88364	0.8
334.64261	0.8
339.13455	13.7
340.13785	1.3
368.36472	0.8
386.18781	1.1
394.75998	0.8
493.22427	1.2
521.25458	2.7
553.24481	1.4
565.24554	20.1
566.25006	4.5
581.27716	4.6
582.27966	1.1
583.25946	2.5
592.42767	0.9
625.26648	64.9
626.26971	15.0
651.25043	1.0
678.09766	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	711.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	30.2
61.98699	1.0
70.10439	1.4
70.10829	2.6
71.01257	3.7
73.02829	1.4
78.95791	1.1
80.04922	1.5
85.02815	1.8
89.02298	1.1
92.04922	1.3
93.03349	1.4
96.48193	0.9
96.95886	3.4
98.20413	1.3
101.02322	2.1
106.06507	5.6
108.04446	1.5
120.04430	1.4
121.05191	1.1
122.05999	3.5
132.04443	6.2
132.08141	1.9
134.05009	1.0
134.06021	17.8
135.04388	1.2
136.07582	5.3
150.06831	0.9
152.07045	1.9
161.04533	0.9
176.04797	0.9
179.03331	0.9
190.16823	0.8
191.05560	2.7
194.08252	0.9
198.09091	1.2
209.11879	4.2
213.10355	0.9
214.12378	4.9
223.08676	4.4
224.09464	1.4
227.08220	1.4
229.09720	1.2
230.11935	2.2
235.08664	1.6
237.10185	1.7
239.11868	49.8
240.12212	3.7
241.09781	3.5
241.13509	1.6
242.10594	5.2
249.10374	9.7
250.11034	1.7
255.11363	0.8
257.12921	22.2
258.13309	1.3
263.11920	2.0
265.13452	100.0
266.13788	6.9
267.11523	1.2
279.11407	2.1
283.10846	2.0
285.12369	1.9
301.11880	13.3
327.13852	1.7
328.10910	0.9
330.15918	1.9
340.11050	1.2
340.14890	1.3
355.13406	1.2
356.13898	1.8
368.14008	2.1
372.17178	9.4
373.17847	0.9
382.15616	1.0
384.17282	7.7
398.18777	2.0
491.24533	6.2
502.00540	0.8
504.21356	1.2
507.33197	1.3
519.24017	68.7
520.24194	8.2
537.25122	6.1
551.26648	2.0
556.18353	0.9
563.22803	2.4
579.26117	94.7
580.26385	16.2
599.19940	1.1
623.25122	3.9
667.24054	3.0
667.35364	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	709.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87478	1.0
57.03329	2.0
59.01247	8.2
61.79578	1.0
61.98697	5.5
67.94572	1.0
69.93066	4.7
70.97857	1.0
71.01246	6.3
73.02800	2.2
77.34800	0.9
78.95775	12.0
79.95626	1.1
80.96397	9.6
81.03300	1.3
83.04887	1.3
85.02813	2.3
87.00751	2.1
89.02316	2.5
94.97984	2.4
95.04929	2.1
96.96879	1.3
97.02792	1.1
97.06454	6.2
101.02323	4.3
109.06513	2.0
113.02316	1.9
125.09605	1.2
136.69191	0.9
149.09676	1.5
151.11192	15.6
152.99489	13.6
163.11263	1.3
166.88817	1.1
169.12257	46.3
170.12607	1.8
171.00552	1.2
171.10103	2.3
180.39697	1.0
181.12421	1.1
195.10213	3.2
207.10237	2.8
213.11278	10.3
225.00485	1.2
225.11235	6.6
235.08179	1.3
243.12418	1.9
253.09247	3.6
255.23260	19.9
256.23611	1.5
277.21710	59.6
278.21924	4.9
339.93375	1.0
431.19315	3.9
449.20349	2.0
453.15466	2.3
454.15039	1.2
455.16397	1.7
473.17184	1.5
691.37885	6.2
709.41284	100.0
710.41675	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	709.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71966	0.6
59.01249	1.2
63.96105	1.7
69.03307	0.6
70.31890	2.2
71.01250	10.6
73.02827	1.6
78.98457	9.7
79.95603	15.8
80.96387	100.0
81.03310	0.6
83.01283	0.8
85.02805	4.6
87.00752	3.6
94.97958	22.6
95.01286	0.7
96.95895	1.5
97.02825	2.1
99.00754	0.8
99.04412	0.6
101.02308	2.7
106.97968	4.9
113.02311	0.9
122.97444	4.4
125.02364	4.1
127.03899	0.8
134.97470	6.9
136.99033	1.4
137.40845	0.6
146.97426	0.7
148.99043	9.5
150.96970	0.6
152.98529	7.4
164.20766	0.6
164.98538	15.2
167.00148	0.7
171.10176	2.1
206.99588	3.5
225.00681	25.0
226.00897	0.7
235.20653	0.6
255.23239	2.1
453.14154	3.9
454.14639	0.6
504.48761	0.6
537.27264	1.8
709.38361	87.6
710.38568	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	709.393
Annotation	Myrtucommulone H
Peak:m/z	Relative Intensity
59.01234	5.9
66.56811	1.8
71.01241	2.7
74.91532	1.6
78.95774	50.1
80.96388	4.5
83.04884	3.1
96.96811	3.7
112.08603	1.8
124.40778	1.6
125.03945	1.6
125.09594	3.9
127.11186	4.1
135.55576	1.8
152.99486	75.2
155.10727	1.8
163.11110	3.1
171.00545	7.3
171.10205	3.5
181.12160	1.8
191.64218	1.8
199.09589	2.3
201.11250	61.0
202.11519	4.6
209.11760	63.0
210.12086	4.7
219.37434	1.6
225.11208	3.1
227.03227	5.2
227.12898	7.7
253.21693	16.3
255.23245	7.4
318.37759	1.7
318.50824	1.7
363.12143	2.8
381.13177	5.2
411.13626	2.4
429.15317	2.3
455.16699	13.3
473.17880	59.9
474.18301	4.0
553.09467	1.8
612.53351	1.7
690.34137	2.0
691.38470	9.5
692.38660	2.3
709.39227	100.0
710.39337	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	709.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91568	0.7
55.70725	0.8
57.03310	2.1
59.01247	10.5
68.05235	0.8
71.01247	7.4
71.28402	1.7
73.02795	1.8
73.69168	0.9
78.95771	10.4
79.95583	0.8
80.27925	0.9
80.96395	5.6
85.02817	2.2
87.00763	1.8
89.02311	4.4
94.97942	1.7
95.04919	1.5
97.02829	1.0
97.06450	4.1
99.00699	1.0
101.02300	4.1
113.02318	2.8
119.03386	0.9
125.09604	0.9
151.11174	14.9
151.12289	1.5
152.99507	10.0
161.04399	1.8
169.12259	100.0
170.12563	3.7
171.00584	1.7
171.10130	2.5
181.12241	1.6
195.10132	1.9
207.10249	1.6
209.11707	1.3
213.11269	12.1
225.00737	1.1
225.11357	4.4
235.08194	1.6
243.12311	1.5
253.09274	3.5
255.23268	16.4
256.23639	1.8
277.21738	26.0
278.22116	2.0
316.04892	0.8
342.11292	0.8
354.33084	0.8
416.16574	1.0
431.19171	3.1
449.20148	8.2
450.20615	1.3
453.15002	1.2
455.16449	1.0
484.66351	0.9
546.73694	0.9
691.38275	3.4
709.41345	86.0
710.41681	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	709.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00573	1.2
52.78732	1.4
54.80204	1.2
57.03320	2.4
59.01249	40.1
61.98699	3.6
69.03309	2.5
70.91410	4.0
71.01252	22.3
72.99161	2.6
73.02807	5.3
73.18443	1.3
80.96382	1.5
81.03313	2.7
83.01247	2.6
83.04893	4.5
85.02840	7.5
87.00751	5.8
88.98663	2.2
89.02311	18.4
93.03312	3.5
96.95903	6.9
97.02819	2.2
97.06447	1.5
99.08048	1.7
101.02316	16.5
111.04394	1.6
113.02336	8.9
113.09606	1.4
119.03411	4.1
123.21456	1.6
125.02319	4.6
129.09082	4.3
135.04395	2.8
139.11194	2.0
139.15231	1.2
143.03430	1.6
161.04437	4.2
163.11302	3.1
165.12871	1.4
166.50827	1.5
169.12238	2.3
171.10181	57.9
173.04419	6.0
179.05513	3.6
181.12245	4.4
183.13831	1.9
191.05533	16.8
193.12094	1.8
197.11749	10.2
199.13388	6.7
201.11232	1.7
209.11765	97.2
210.12059	4.5
211.13301	12.8
212.13614	1.8
215.06949	2.0
225.11250	5.4
227.12849	24.1
235.08154	6.4
253.09215	9.2
263.09045	1.6
275.20258	2.0
293.21210	9.5
309.20837	1.8
311.22266	100.0
312.22583	6.2
397.13434	21.2
407.19193	3.6
415.14554	25.1
445.20685	4.5
463.21692	3.3
649.38544	2.1
653.32056	1.7
655.33051	2.9
665.34991	1.6
671.32501	1.8
672.33057	1.9
709.30725	12.7
710.31439	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	709.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62624	1.3
57.03331	2.0
59.01251	32.8
59.42592	1.3
61.98709	3.7
70.55054	4.2
71.01246	12.0
72.99187	3.9
73.02827	4.7
75.00776	1.3
78.95773	2.0
79.95602	1.4
81.03397	2.1
83.01255	3.1
83.04902	3.9
85.02829	7.5
87.00770	3.8
88.98674	3.8
89.02328	4.9
93.03352	6.2
95.01228	1.6
96.95899	7.9
98.19792	1.6
99.00742	2.2
101.02341	6.0
107.04933	1.5
111.04404	1.4
113.02306	6.2
119.03410	1.8
119.04920	2.3
123.04440	1.8
125.02379	1.9
127.03889	1.3
131.64120	1.3
134.03589	1.4
135.04417	3.8
137.02357	1.6
156.87383	1.2
161.04451	2.1
163.11206	2.1
171.10185	49.4
173.04504	8.2
173.05757	1.6
177.09117	1.3
179.03525	1.7
182.39954	1.4
191.01848	1.5
191.05542	26.6
207.10159	2.4
209.11774	100.0
210.12131	7.1
215.07082	2.2
225.00497	1.7
227.12833	20.5
229.08632	2.0
235.08296	2.9
253.09285	5.7
293.21329	1.4
296.11694	1.6
307.13260	1.8
311.22287	10.2
335.05475	1.4
397.13431	2.1
415.14529	2.2
445.20728	5.2
535.20001	3.2
637.32050	1.9
649.39569	1.8
709.30414	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	709.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.4
57.18117	0.9
59.01248	5.3
68.01287	1.6
71.01245	2.6
71.58012	0.7
73.02798	1.1
79.03454	0.9
82.02911	0.8
85.02825	10.6
87.00751	1.5
89.02339	1.0
93.03332	1.5
94.06496	2.6
94.13208	1.0
94.40567	0.9
96.95897	7.2
101.02327	1.0
102.50804	0.8
106.06507	9.0
107.08772	0.9
108.04448	3.1
108.08092	4.5
111.00807	0.9
112.03944	1.5
120.04436	2.6
121.05228	2.8
122.05119	1.7
122.06007	32.3
123.06303	1.2
124.03912	2.4
132.04437	1.2
133.02893	1.1
134.06006	29.2
135.04416	5.9
135.06718	2.0
136.03957	1.3
136.07576	61.7
137.02383	0.9
137.07915	2.9
140.07083	1.1
144.04408	0.8
145.07564	0.8
146.06030	5.1
149.04715	7.8
150.05560	4.8
151.00117	0.9
154.05031	2.9
156.06581	1.1
160.03906	2.7
161.04709	1.8
162.05518	3.0
164.07083	91.2
165.07457	4.9
172.03873	1.4
173.04579	3.8
173.07089	3.9
176.03413	1.2
176.07144	2.0
178.05014	1.1
178.08656	5.0
179.03435	4.3
180.06490	1.4
186.09103	1.6
189.06676	0.9
191.05626	5.8
191.08203	14.1
201.06659	3.7
202.08589	1.0
203.05775	1.9
203.08167	2.1
204.06654	1.8
205.09793	8.5
206.08151	15.7
206.09978	1.5
208.06096	1.0
215.08252	4.6
216.06775	1.0
229.09697	1.4
230.08154	1.7
231.07681	1.3
233.09276	55.3
234.09627	2.8
239.08347	1.2
241.09767	2.5
243.11461	2.0
251.10318	100.0
252.10654	7.6
253.06288	1.1
253.09846	1.6
255.11272	0.9
259.10919	1.7
267.07803	1.9
267.11185	1.1
270.10129	1.3
271.10886	6.3
273.12503	2.1
274.07196	2.4
277.12030	2.9
280.08392	2.5
281.09357	1.4
283.10886	2.1
287.09351	3.4
288.08777	3.1
291.13766	1.0
293.09500	1.2
293.16544	1.9
295.10919	9.3
295.14215	1.4
296.11536	3.8
297.12299	1.2
299.10141	1.2
301.11844	6.4
302.12189	1.2
311.10434	1.0
319.12973	5.6
323.10605	0.9
327.13437	1.8
328.10617	2.2
337.14957	9.2
338.15753	1.0
379.12955	1.8
381.14536	43.5
382.14789	4.0
407.12390	3.1
413.17233	1.7
425.13525	54.8
426.13882	5.2
438.50595	0.9
457.16168	33.8
458.16400	4.5
615.25476	1.4
617.23248	1.8
649.25049	4.7
650.25348	1.7
659.23431	6.4
660.23920	1.7
677.24609	13.2
678.25092	3.1
691.26166	11.0
692.26306	3.6
709.27277	32.2
710.27411	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	709.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02008	0.9
57.03313	1.5
59.01254	4.8
60.15688	0.8
65.03828	1.0
67.01755	5.5
69.03310	2.0
71.01246	5.9
71.57255	1.3
77.03825	1.1
81.03333	1.7
83.04898	1.6
85.02822	8.6
87.00745	3.4
89.03837	1.5
93.03333	41.3
94.03645	1.0
95.04892	2.9
96.95885	17.9
97.02794	1.0
105.03346	11.8
109.02814	2.5
111.00754	2.2
111.04393	7.6
120.94366	0.8
121.02817	1.4
122.05960	1.6
123.04384	3.3
127.03882	2.3
129.01773	1.0
132.02104	2.1
133.02850	81.1
134.03529	2.9
135.04411	43.1
136.04753	1.4
137.02327	8.4
139.03818	1.2
149.02299	3.6
149.04741	1.8
150.03096	6.4
151.03845	3.6
155.03418	6.8
157.04956	1.1
160.01604	1.7
161.02318	5.2
162.03122	11.0
164.07060	1.9
165.05507	7.7
166.58740	0.8
173.04465	100.0
174.04802	2.3
175.03917	1.3
177.01846	45.6
177.05354	4.1
178.02557	4.9
179.01820	1.7
179.03412	37.3
180.04193	29.6
191.05540	59.2
192.05988	2.3
193.04936	2.0
195.06560	44.3
196.06837	2.0
203.03331	1.1
207.05081	1.5
215.05501	2.9
229.09727	2.6
243.11258	2.0
253.09801	1.0
259.10788	1.1
271.10873	5.1
295.10815	3.8
299.09183	1.6
301.11957	5.7
307.08105	2.7
308.08716	1.1
319.12946	6.2
322.91794	0.9
323.07584	1.3
327.13406	3.0
329.10236	2.9
334.06732	1.3
335.07431	1.4
337.13934	3.8
339.09714	2.6
343.08157	1.1
351.07178	44.4
352.07504	3.3
353.08694	1.3
355.08170	3.5
357.11887	33.8
358.12067	2.8
371.12439	6.6
373.09167	2.8
461.14316	2.4
491.15610	7.9
499.12338	2.3
505.13544	4.1
517.13538	9.5
518.13202	1.5
535.07416	1.2
535.14618	15.3
536.14532	2.7
547.14636	2.5
582.85071	1.0
679.18506	1.5
709.19507	33.0
710.20056	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	709.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.6
67.01753	0.7
71.01260	1.0
71.33949	1.2
74.48689	0.5
77.03847	1.3
79.97272	0.5
81.03331	0.8
83.04901	1.3
85.02822	3.4
87.00762	1.3
89.03838	0.7
93.03335	8.3
95.04905	5.1
96.95889	3.4
104.88522	0.5
105.03346	14.6
108.51054	0.6
111.04405	5.0
113.02265	0.6
121.02853	0.9
123.04397	1.6
124.01492	0.7
127.03947	0.6
129.01828	0.9
132.02046	1.2
133.02850	100.0
134.03719	2.8
135.04410	41.5
136.04745	1.3
137.02356	3.3
139.03918	0.6
149.02417	0.6
150.03120	7.0
151.03941	2.5
155.03403	4.4
161.02380	4.2
161.91614	0.6
162.01891	0.8
162.03148	10.4
165.05492	7.2
170.84738	0.5
173.04469	20.8
174.04808	0.8
175.02161	0.6
177.01855	41.4
177.05447	1.6
178.02553	3.9
179.03418	35.2
180.04204	28.8
181.04485	0.9
191.05545	20.8
192.05872	1.1
193.04930	1.0
195.06560	47.7
196.06880	2.1
205.63814	0.6
207.05022	1.1
243.74908	0.5
299.09241	1.0
305.10477	1.3
311.09216	0.9
329.10248	2.0
335.07687	1.6
337.09219	1.2
351.07187	22.2
352.07593	1.6
353.08957	0.6
355.08282	3.0
357.07489	1.2
357.11890	23.2
358.12357	1.2
371.09500	0.6
373.09277	1.7
395.68967	0.6
461.14551	1.4
491.15472	6.9
494.21344	0.6
505.13593	1.9
517.13361	2.3
535.14655	11.9
536.14740	1.2
547.14398	1.5
608.64386	0.8
634.53113	0.6
709.19788	31.8
710.20313	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	709.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47584	0.5
59.01252	1.6
60.99176	0.7
63.54140	0.4
67.01765	2.2
71.01260	1.7
73.02833	0.6
81.03360	0.8
81.40710	0.4
83.04929	0.7
85.02818	9.7
87.00750	3.7
93.03340	13.1
95.04898	0.9
96.95888	18.4
98.95473	8.5
98.96335	1.4
99.00725	0.5
101.02332	0.5
105.03334	3.9
107.04829	0.5
109.02847	2.8
111.04391	2.7
121.02820	0.6
123.04438	0.8
127.03902	3.3
132.02072	1.8
133.02850	32.3
134.03391	0.7
135.04416	17.2
136.04774	0.8
137.02321	1.6
145.02872	0.5
149.02328	1.3
150.03125	1.9
151.03938	1.8
155.03403	1.0
160.01576	1.9
161.02357	6.0
162.03127	3.5
163.03896	1.0
165.05447	1.8
171.02882	1.0
173.04463	10.3
174.04712	0.6
175.04027	0.7
177.01855	12.2
177.05331	1.1
178.02617	3.2
179.03426	10.3
180.04192	9.7
181.04866	0.8
191.05539	100.0
192.05873	2.9
193.05013	3.4
195.06552	12.0
196.06947	0.5
203.03540	0.6
215.05513	5.3
305.10684	2.9
306.10962	1.4
307.10522	1.0
322.06860	1.1
323.07605	2.6
329.10086	0.6
343.10495	0.5
351.07187	21.7
352.07697	1.5
353.08813	1.4
355.07959	0.5
357.12000	3.3
373.09372	0.6
395.09772	1.0
487.12405	1.1
491.14877	0.7
499.12561	3.7
517.13513	14.4
518.13800	1.6
529.13708	0.6
535.14532	2.2
547.14490	4.4
691.18536	0.9
709.19818	29.5
710.20184	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	707.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61066	0.4
59.01249	100.0
60.01593	0.5
61.98715	0.5
71.01270	0.6
71.57111	0.6
75.44579	0.3
78.95782	1.4
84.78939	0.3
87.53447	0.4
95.28570	0.4
150.06764	0.7
152.99464	0.6
191.05634	0.7
197.11821	0.8
209.11711	0.5
277.21695	0.9
291.19611	0.7
342.21893	0.7
372.38818	0.4
405.56305	0.4
406.38965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01596	1.1
61.98706	0.5
68.03312	0.4
71.57781	0.3
71.58153	0.5
78.78224	0.3
78.95794	1.0
96.95882	0.4
150.06825	0.8
183.74481	0.3
197.11816	1.8
198.48370	0.3
211.13365	0.5
277.21671	0.9
291.19806	1.2
318.50754	0.4
341.21326	0.4
342.22141	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	707.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76035	1.5
50.98101	1.9
55.01760	3.0
57.03314	2.3
58.00452	1.5
59.01250	41.0
61.98695	4.0
69.03298	1.9
71.01250	27.5
71.04899	6.6
71.13728	3.7
72.99179	1.6
73.02806	7.7
75.00768	2.1
78.95780	2.7
79.95624	3.9
81.03333	2.7
83.01279	5.0
83.04901	5.5
84.02010	2.3
85.02816	8.6
87.00758	7.1
88.98661	2.6
89.02317	10.4
93.03333	12.4
95.01287	2.8
96.95890	83.3
97.02835	5.9
97.06464	4.9
98.95470	3.0
99.00750	35.0
99.01344	2.9
101.02319	17.6
106.04021	3.0
106.37888	1.8
107.04938	1.7
108.04420	2.7
109.02855	2.4
109.06487	3.0
110.23920	1.6
113.02317	12.9
119.03354	1.7
119.04901	5.7
121.02773	2.0
122.06020	3.3
123.08086	4.0
125.02354	2.9
125.09592	15.9
127.11165	4.0
133.06584	1.6
134.03714	2.8
134.06042	2.4
135.04405	6.5
135.08044	2.9
137.02357	11.1
139.11197	2.2
142.02654	1.7
144.06181	1.7
150.06795	3.8
151.00246	3.7
152.99533	2.2
155.10646	2.1
161.04517	4.4
163.03906	2.5
163.11174	22.2
165.09146	2.5
165.12766	2.1
171.10197	15.3
173.04451	8.8
177.01791	5.4
178.99762	3.0
179.03416	4.4
179.05573	1.9
179.10661	1.9
181.12279	31.4
181.13873	1.7
191.05544	21.7
193.05035	2.2
197.11673	3.2
199.09724	2.0
199.13329	19.4
201.11266	46.9
202.11719	2.5
207.04944	2.6
207.10197	46.8
208.10600	3.8
209.04497	3.4
209.09871	3.3
209.11765	54.1
210.12047	2.3
225.11285	89.9
226.11566	3.7
227.12796	5.3
242.01974	2.8
243.12370	38.5
253.09344	7.2
259.10590	1.9
267.11761	1.6
271.02432	5.1
271.10828	3.4
272.02646	3.5
280.63416	1.9
294.74246	1.7
299.01984	11.9
300.02518	11.6
301.02652	10.5
301.11905	3.0
302.03439	3.9
335.22177	4.2
345.51065	1.7
398.09326	2.2
445.20822	1.6
461.20264	6.0
479.21564	11.1
480.21628	2.1
503.33719	3.1
509.34964	3.8
609.13861	3.5
610.14154	13.4
645.31317	1.9
647.37738	5.0
659.38269	4.2
663.32379	61.2
664.32861	9.4
665.39246	10.9
671.32404	4.4
689.24017	4.7
689.33856	100.0
690.34375	10.9
707.21899	3.5
707.38647	40.3
708.36676	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	705.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31099	0.4
59.01251	3.4
69.33775	4.7
71.01239	2.2
73.02800	0.7
80.02531	0.7
81.03323	1.1
83.01279	0.5
83.04894	4.6
85.02851	0.6
87.00736	1.0
89.02289	2.3
101.02309	1.4
106.01237	0.5
110.84095	0.5
111.89942	0.5
113.02302	0.8
148.48888	0.5
159.10278	0.5
161.04547	0.7
163.11205	2.9
165.12743	2.1
171.10155	2.1
185.11971	0.5
191.10677	1.2
191.64563	0.5
195.88356	0.5
199.13370	0.6
209.11763	100.0
210.12086	6.4
223.40376	0.5
225.11266	1.5
226.11604	0.5
227.12834	15.2
228.13083	0.8
235.08157	1.9
253.09189	6.8
254.09715	0.7
259.15579	0.8
445.20786	1.5
588.36542	0.5
637.32257	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	705.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08178	0.5
59.01251	37.9
66.49557	0.5
71.01253	5.1
73.02798	1.1
75.94279	0.5
78.95773	5.5
81.92782	0.5
85.02807	1.2
89.02308	1.2
97.02826	0.9
98.19030	0.5
101.02312	1.5
108.05718	0.7
110.98425	1.0
113.02325	1.7
113.06006	0.6
123.07981	0.9
136.05270	0.7
138.06749	4.5
139.07530	1.7
151.07533	3.7
152.08316	4.1
152.99492	5.6
153.09117	20.6
154.09428	0.8
161.04468	1.4
165.09111	1.5
167.06961	0.7
169.12062	0.5
171.00598	0.6
171.10159	0.9
190.09918	0.7
197.11766	3.0
205.10521	0.9
205.12274	11.4
209.11746	2.4
223.13336	4.9
225.11192	1.0
241.10783	1.5
255.23433	1.1
277.21713	100.0
278.22037	5.9
291.23419	3.3
319.22693	1.7
367.17520	1.3
385.18582	2.3
396.52859	0.7
442.22351	0.6
451.13614	0.9
469.14697	2.2
645.40552	0.8
670.45447	0.6
705.35504	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	707.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.2
61.18620	0.1
71.34055	0.3
73.04667	0.1
79.95612	3.0
87.00735	0.1
89.02274	0.1
93.03360	0.2
96.95889	100.0
97.95839	0.4
98.95463	0.2
135.04361	0.2
151.00258	0.2
154.84914	0.1
173.04559	0.3
174.12042	0.1
183.14638	0.2
191.05542	0.7
201.62585	0.1
207.05035	0.2
220.38844	0.1
271.02420	0.2
300.02673	0.6
301.03674	0.2
303.09113	0.1
406.22531	0.1
447.66119	0.1
609.14813	0.6
706.71692	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	707.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80669	0.1
57.43057	0.1
58.51507	0.1
59.01247	0.3
59.30391	0.1
70.10236	0.3
70.10650	0.4
79.95598	2.6
93.03321	0.1
96.95885	100.0
97.95850	0.3
98.95498	0.2
101.02337	0.1
111.00813	0.1
151.00305	0.1
157.78200	0.1
165.39119	0.1
173.04451	0.2
191.05537	0.4
199.22275	0.1
271.02573	0.2
300.02805	0.5
301.03522	0.2
609.14465	0.8
610.14771	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	707.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29696	0.2
57.00785	0.1
69.96624	0.3
69.97047	0.4
71.01241	0.3
79.95615	2.4
85.02841	0.2
87.86887	0.1
93.03348	0.3
96.95888	100.0
97.95834	0.4
133.02846	0.2
151.00267	0.2
153.01793	0.2
159.87852	0.1
173.04514	0.5
191.05487	0.6
271.02451	0.3
300.02661	0.6
305.10635	18.5
306.10916	1.3
401.88846	0.2
486.64850	0.2
499.06311	0.2
609.14569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80788	0.4
59.01247	10.9
59.01531	0.6
64.75559	0.4
65.00208	0.9
78.95786	3.0
83.75658	0.4
93.03318	0.6
107.01292	1.3
109.02841	0.4
117.03368	0.5
125.02308	0.5
151.00256	2.3
152.99495	3.6
153.01796	0.6
161.02368	0.4
163.00333	0.5
163.11197	0.5
169.01334	0.5
171.10165	1.5
178.99860	0.6
182.03732	0.5
183.04425	2.0
185.02370	0.6
185.06065	0.6
187.03897	0.8
199.03859	0.4
207.10141	0.8
209.11801	0.4
211.03958	2.7
213.05545	0.4
225.11246	1.6
227.03436	81.0
228.03850	5.2
229.05040	1.2
229.57777	0.4
235.64516	0.4
239.03624	0.5
253.21672	0.9
255.02954	100.0
256.03525	12.8
257.04474	1.1
277.21722	0.9
278.21896	0.7
283.02390	0.4
284.03238	54.0
285.03934	16.4
286.04324	0.8
327.05026	1.1
379.11551	0.6
433.49789	0.4
453.15198	1.5
471.16406	3.3
611.31030	0.5
707.30457	77.9
708.18408	0.8
708.30859	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	705.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.3
57.03305	3.5
57.67778	1.2
58.00455	1.6
59.01247	33.2
61.98673	1.3
62.69122	1.3
63.32863	1.2
65.00202	1.9
65.03834	1.9
69.03301	4.2
71.01250	18.5
71.04871	4.6
72.99174	2.8
73.02805	5.6
81.03334	1.6
83.01229	4.1
83.04892	3.9
85.02826	6.4
87.00740	7.5
89.02314	10.9
93.03314	4.0
95.01244	1.8
95.04858	1.4
96.95885	62.8
97.02798	4.7
97.06458	3.4
98.95477	1.5
99.00749	19.3
101.02322	14.0
107.01238	3.5
108.02019	1.4
109.02839	2.3
109.06459	1.7
111.00719	1.3
113.02338	8.5
116.87447	1.3
116.92715	1.2
119.03397	1.3
119.08515	1.5
121.02818	1.3
121.06448	1.9
123.04366	1.4
123.08005	3.8
125.02319	2.9
125.09633	10.8
127.11185	3.1
135.04372	1.9
135.07993	3.9
139.03906	1.3
150.05487	2.2
151.00241	10.9
153.01765	2.3
155.10623	1.7
161.02354	1.3
161.04424	3.5
161.09604	2.9
163.11201	10.4
171.10176	11.1
173.04471	3.8
178.99751	5.9
179.03406	2.2
179.05405	1.6
179.10605	4.2
181.12257	13.2
183.04402	3.0
185.11665	2.1
186.03062	2.3
191.05545	9.9
197.11758	40.9
198.12054	2.2
199.03886	8.0
199.09608	2.3
199.13269	10.2
201.01889	1.3
201.11261	20.2
203.03343	1.4
207.04991	2.5
207.10188	23.3
209.11765	37.4
210.12093	2.6
214.02600	5.5
215.03308	1.4
225.11253	39.8
225.14581	1.5
226.11549	3.8
227.03378	4.6
227.12772	3.3
235.13297	1.8
241.01451	7.6
241.10701	1.9
242.02165	10.9
243.02940	12.4
243.12347	21.3
244.03407	1.4
244.12512	1.3
245.00833	4.8
253.09209	4.1
255.02962	11.8
269.04730	1.5
270.01654	13.6
271.02438	32.9
272.02640	3.7
283.02368	1.7
283.05499	1.6
285.03702	2.1
289.17981	3.6
298.00983	3.5
299.01935	100.0
300.02631	36.4
301.03418	11.7
307.19138	7.9
314.04324	1.7
335.29938	1.3
362.16794	2.5
363.17236	2.0
396.08340	2.7
397.09097	4.9
397.13620	3.1
415.14313	2.8
461.20145	1.9
463.08783	9.1
464.08365	2.3
477.19110	1.6
479.21277	7.0
501.31396	1.5
543.27802	1.4
607.12842	4.5
608.13818	57.2
609.14233	10.4
645.35626	1.6
661.28748	9.3
662.33124	1.9
687.32312	39.5
688.32080	5.7
705.20367	10.5
705.33105	89.9
706.22223	2.7
706.33569	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	705.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	5.0
59.01251	34.0
61.98703	99.9
64.47510	5.1
69.49126	20.1
69.49559	24.7
71.01255	53.1
73.02815	6.0
78.95765	9.0
82.13431	5.1
82.15318	4.9
85.02827	8.6
87.00765	6.1
101.02356	9.0
109.06479	9.6
125.09595	5.4
152.99504	5.8
163.11203	6.7
165.16882	5.3
169.12262	14.3
171.10158	40.5
173.04480	6.5
191.05496	14.3
197.11740	33.9
201.11288	16.3
205.12267	8.7
207.10228	21.3
209.11766	100.0
210.12015	6.3
211.13353	13.1
213.54271	5.6
223.13327	71.9
225.11258	30.6
226.11476	7.2
227.12790	32.9
235.08249	15.1
241.01570	5.4
250.71194	5.2
253.09235	15.1
299.01974	7.8
347.15463	5.4
459.22278	20.2
613.15466	5.6
687.32556	10.8
705.32281	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	705.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.3
55.15734	1.4
57.03304	5.2
58.00450	5.0
59.01246	34.6
61.98689	3.1
65.00188	2.7
68.35983	1.4
69.03302	3.1
69.29244	12.3
69.29658	4.2
71.01252	17.0
72.99159	1.7
73.02808	7.9
77.40203	1.5
78.18985	1.6
81.03326	1.9
83.01229	2.4
83.04858	5.3
85.02801	11.8
87.00729	5.6
87.04397	22.6
89.02296	5.5
93.03310	6.5
95.01295	2.0
96.95882	19.9
97.02806	4.5
97.06432	4.0
99.00720	1.9
99.04364	2.1
101.02329	8.6
107.01260	2.6
108.02050	2.1
109.02809	6.2
109.06491	2.4
111.00746	1.8
111.04382	3.1
111.08022	1.7
113.02304	6.5
119.03381	1.9
119.04903	1.9
121.02834	19.4
121.06502	2.6
122.03638	15.9
122.06007	1.9
123.08045	1.8
124.01530	1.6
125.02291	4.4
125.05940	3.2
125.09567	2.7
133.02827	2.0
134.03578	2.3
135.04379	6.5
135.08025	5.4
137.02287	4.6
137.05902	1.5
137.09622	22.2
139.07507	4.4
139.11238	1.5
141.09055	1.8
147.04390	7.2
148.05194	1.7
149.05942	2.9
151.00276	11.0
151.11160	3.7
153.12589	1.7
154.02602	3.4
155.10680	82.7
156.11011	2.4
157.02843	1.6
159.04437	2.4
161.06007	4.3
163.07492	2.5
163.11131	6.6
165.05473	30.5
167.10602	2.4
169.12242	5.8
171.10175	11.3
173.04459	3.7
177.01837	1.9
178.99792	3.2
179.07036	12.9
179.10669	11.2
181.08551	6.7
181.12390	2.7
183.04317	3.3
183.13945	1.6
189.05615	1.9
191.05545	11.9
191.10655	5.7
193.12186	2.0
195.10168	7.5
197.11775	29.7
199.04019	8.2
199.09686	58.4
199.13275	3.3
200.09998	3.1
201.11240	11.2
203.03426	1.9
207.10170	4.9
209.11772	40.7
210.12193	3.2
211.03905	1.9
213.11244	3.5
215.03343	3.7
223.09677	4.4
225.11230	10.3
227.03435	7.9
227.12781	6.0
231.09956	1.8
241.10725	16.2
242.02118	2.6
242.11162	2.0
243.02994	19.5
253.09027	3.7
255.03004	15.0
255.12302	4.3
256.03421	2.1
267.10922	1.7
270.01782	3.6
271.02454	38.0
272.02740	2.6
283.11829	34.9
299.01962	100.0
300.02612	35.7
301.03427	12.9
307.19211	3.8
313.03519	2.1
314.04251	2.2
315.11993	2.3
343.13895	18.1
346.14203	9.0
347.14886	18.3
360.34018	1.8
361.16547	75.9
362.16800	6.9
396.08737	1.9
397.13330	2.8
415.14221	2.0
463.08621	12.8
495.58936	1.9
607.13025	3.7
608.03979	2.6
608.13757	52.4
609.14032	10.3
661.30688	5.6
661.37415	2.4
687.32172	17.8
688.32147	2.5
705.31409	88.6
706.31683	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	705.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95285	0.2
69.53684	1.0
69.54108	0.4
72.15944	0.2
79.95606	1.6
85.02827	0.2
87.00750	0.2
93.03338	0.4
96.95887	100.0
97.95834	0.2
98.95480	1.5
98.96285	0.2
133.02841	0.3
135.04384	0.2
161.02321	0.9
173.04395	0.3
177.01845	0.2
181.19084	0.2
191.05525	2.1
226.96132	0.2
271.36063	0.2
305.10623	57.3
306.10959	3.7
307.10492	1.4
309.45554	0.2
339.04974	0.5
351.07187	0.2
513.10645	0.4
544.74255	0.2
694.35437	0.2
705.19989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87132	0.7
57.03317	1.4
58.00465	1.4
59.01253	12.7
61.98698	1.7
63.02275	2.1
63.42038	0.8
65.00201	1.7
69.03339	0.9
71.01252	12.0
73.02820	2.8
74.05712	0.7
81.03321	0.9
83.01254	2.4
83.04908	2.6
85.02834	4.2
87.00751	5.2
89.02303	4.3
93.03349	2.6
95.04957	0.9
96.95880	8.8
97.02831	0.9
98.20554	2.3
99.00759	1.9
99.04453	0.8
101.02316	4.9
103.03861	0.9
107.01262	4.3
108.02070	1.0
109.02840	2.3
109.06505	1.3
111.00733	1.0
112.04108	0.8
112.35329	0.7
113.02351	3.2
119.01349	0.8
119.03432	1.1
119.04942	1.4
121.02837	2.1
123.08041	5.8
124.59280	0.9
125.02317	1.5
125.09601	1.0
127.11183	0.7
132.01816	0.8
133.02831	0.7
135.04420	1.5
137.09541	0.7
145.02901	1.0
148.01604	1.9
150.06790	0.7
151.00276	14.4
155.10718	2.2
159.04459	1.0
161.02423	0.9
161.04491	1.3
163.00247	2.9
163.11200	2.8
164.01024	1.1
165.12756	0.9
167.06993	1.9
169.01323	0.8
169.12228	2.5
171.04395	1.4
171.10149	7.8
173.04456	2.7
174.77003	0.8
178.99796	9.0
179.05672	0.8
181.12238	2.6
183.04382	1.8
186.03159	0.7
191.05513	7.8
197.11775	3.5
198.12131	0.9
199.03891	5.4
199.09731	2.3
199.13408	5.5
201.11316	4.2
203.03464	1.0
207.10219	4.9
208.10504	1.3
209.11792	30.2
210.12154	1.6
211.03912	1.8
215.03438	1.9
215.12840	2.4
216.04218	0.9
220.87988	0.7
225.11249	6.5
226.02693	3.0
226.11671	2.1
227.03464	7.1
227.12836	15.4
229.54128	0.8
235.08093	1.4
241.01416	2.3
242.02220	1.9
243.02959	19.3
243.12354	1.5
244.03395	1.8
245.00790	1.1
245.04491	1.0
253.09247	3.6
254.02263	3.5
255.02963	28.2
256.03348	2.9
270.01636	2.9
271.02466	83.7
272.02917	6.3
273.03989	1.6
285.04037	1.1
298.01389	1.3
298.99185	1.1
299.01956	64.9
300.02722	100.0
301.03464	39.3
302.03790	1.9
313.03326	1.8
314.04416	1.5
320.14755	0.8
362.15796	0.8
369.09778	0.9
445.20496	1.3
461.20544	1.1
463.08719	10.0
463.21643	2.6
507.33139	2.6
527.18665	0.8
607.12976	2.3
608.03778	1.5
608.13788	29.8
609.13361	3.8
629.23291	1.0
629.35413	0.8
633.29437	0.9
637.32379	1.8
645.34418	1.0
655.20642	1.8
655.33539	2.5
661.34857	2.8
673.21332	57.8
674.21722	10.9
687.32050	4.8
704.32159	0.9
705.20660	1.6
705.32898	9.8
706.30853	1.5
725.26617	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	705.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24996	0.7
53.64980	0.8
55.14922	0.8
57.03310	3.3
59.01234	3.4
61.99011	0.7
63.02266	9.6
65.00196	9.4
69.30997	6.0
69.31407	1.9
71.01243	3.2
72.28777	0.8
73.02808	1.1
83.01252	12.6
85.02838	1.3
89.02325	1.5
93.03349	1.1
95.01237	2.3
96.95883	14.5
98.19791	1.2
101.02277	1.2
107.01270	23.0
108.99174	0.9
109.02830	1.9
113.02327	1.4
117.37285	0.8
118.88770	0.8
123.00773	1.2
124.01537	9.1
125.02347	19.6
137.02313	1.3
139.00179	0.9
141.01836	1.1
151.00273	84.5
152.01065	26.7
153.01820	5.2
159.04373	1.5
161.02386	1.0
163.00224	0.9
169.01337	12.6
172.05222	1.6
173.04501	1.4
173.06003	3.2
175.03883	1.6
177.01791	1.8
178.99776	89.1
180.00095	3.3
181.01230	1.4
187.03922	1.7
187.07515	2.4
189.05438	5.3
190.02631	1.3
191.05505	3.5
199.03856	0.8
199.07512	2.5
200.04732	4.1
201.05486	1.9
203.03383	1.1
209.11809	0.9
210.03001	0.8
211.03885	0.9
214.02631	1.1
215.07071	32.7
216.07497	4.0
217.08664	4.1
219.06512	1.0
225.05493	3.3
226.06413	1.1
227.03539	1.2
227.06984	4.3
232.03642	1.1
241.01277	1.2
241.05045	4.8
241.08598	0.9
242.05736	2.2
243.02946	2.0
243.06512	3.9
253.04987	5.4
254.05721	2.2
255.02853	2.9
267.06677	1.1
269.08173	1.1
270.05307	1.3
271.02676	6.8
271.05957	7.0
277.04953	1.3
277.08539	1.1
278.05975	1.0
280.03928	1.0
281.08081	1.8
291.06592	1.3
292.07202	1.0
293.08252	2.7
296.03091	1.2
299.01941	8.0
300.02707	13.8
304.40118	0.9
305.08176	2.4
311.02087	1.3
311.09283	1.7
315.64853	0.8
321.04095	1.0
322.04715	1.0
323.09186	1.2
325.07080	1.8
333.07654	7.1
334.08469	1.4
336.06232	3.3
351.08704	1.7
353.06577	1.6
361.07230	5.1
378.07275	2.8
379.08136	14.5
380.08566	1.5
396.08173	1.1
397.09259	35.9
398.09698	3.2
500.83136	0.9
537.19824	1.0
579.17157	3.0
608.13672	2.8
639.70538	0.9
687.19049	1.0
705.20313	100.0
706.20709	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	705.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	2.9
59.01242	4.7
63.02259	11.5
65.00196	13.0
69.31860	2.9
69.32263	10.9
71.01258	2.0
77.03220	1.3
83.01270	11.0
93.03345	1.6
96.95892	3.4
101.02328	1.5
107.01270	24.9
109.02808	2.1
111.98492	1.3
113.02274	1.4
114.93456	1.3
123.00748	1.8
124.01575	9.3
125.02330	20.2
143.03387	1.9
151.00275	100.0
152.01085	27.6
153.01842	8.0
159.04393	1.8
169.01375	16.8
173.04558	1.3
173.05974	2.3
177.01898	2.7
178.99783	99.3
180.00089	2.1
181.01427	1.4
187.03922	2.7
187.07469	2.0
189.05460	4.5
190.02591	1.5
191.05452	3.1
199.07582	2.6
200.04651	2.6
201.05507	1.7
211.03879	1.5
215.07076	29.4
216.07669	2.9
217.08643	4.3
225.05579	4.0
226.06131	1.5
227.07051	6.8
239.07188	2.2
241.04956	4.7
242.05782	1.8
243.06567	5.0
253.05011	5.1
254.05640	3.0
255.02931	1.6
264.27512	1.3
265.08536	2.3
267.06622	3.3
269.04440	1.3
269.08215	1.8
270.05331	1.7
271.02493	4.7
271.06061	7.5
277.04965	1.6
289.08707	2.7
290.05725	1.6
291.06671	2.3
293.07999	3.0
299.01950	3.6
300.02728	10.0
305.08163	3.7
308.03168	1.7
311.01874	2.4
311.09131	2.0
321.04047	2.1
325.06909	1.5
333.07715	14.7
336.06265	3.2
348.12637	1.6
349.07150	1.4
350.04468	1.5
351.08603	2.7
353.06677	2.1
361.07184	21.1
378.07480	5.2
379.08215	25.5
380.08685	1.9
397.09241	33.4
554.27130	1.5
567.79987	1.5
579.16864	3.7
687.18756	1.8
705.20319	100.0
706.20782	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	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67680	24.0
59.01254	34.4
78.95786	42.5
171.10216	36.5
209.11784	73.8
210.12177	33.9
241.14505	35.7
255.23219	100.0
256.23679	40.2
277.21683	28.1
321.08426	21.3
604.67578	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	15.6
61.98696	20.5
62.11515	13.1
71.01258	16.1
78.95785	48.4
87.74712	15.5
109.06472	17.7
109.71165	15.6
109.71896	15.8
139.91327	13.3
171.10138	28.0
207.10153	18.5
209.11765	68.8
210.12120	34.8
241.14430	54.5
255.23172	100.0
256.23660	48.7
259.71948	14.7
277.21777	46.5
329.01669	20.9
524.08356	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	701.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	37.7
62.42463	0.5
69.37301	3.6
69.37708	1.0
71.01251	1.9
78.95763	0.6
80.04930	2.2
83.63256	0.5
84.02038	0.4
84.13159	0.5
85.02802	1.4
86.35220	0.5
89.02297	1.0
93.03312	1.3
94.06484	1.2
96.95892	3.2
98.20572	0.9
101.02315	1.2
106.05846	0.7
106.06501	8.8
107.03640	1.4
108.04451	3.7
108.08077	1.2
113.02319	0.8
120.04432	2.2
120.08063	1.3
121.05188	2.4
122.06008	25.8
125.02298	0.6
132.04457	3.7
132.08063	0.7
134.06009	33.6
135.04382	0.6
135.06325	1.3
136.07576	7.5
144.04492	0.9
146.06023	3.1
148.07574	1.9
151.07474	0.6
152.07071	6.8
158.06053	0.7
160.06325	4.7
160.07562	2.1
162.05531	1.7
162.09152	5.8
173.04520	0.6
180.06593	13.6
184.18744	0.5
188.07109	1.2
191.05554	1.6
194.08139	2.1
197.07149	0.9
197.10661	0.6
198.12766	1.0
206.08202	1.2
209.11818	2.9
211.08661	2.5
213.10266	25.9
214.10481	1.1
219.55435	0.6
223.08755	1.4
224.09448	1.7
225.10236	5.1
226.07353	0.6
226.10838	2.6
227.11728	1.5
235.08734	1.3
237.10321	3.3
238.07257	0.5
238.11139	1.4
238.14388	0.9
239.08229	3.8
239.11829	7.6
240.12254	0.9
241.09793	0.9
241.13423	20.1
242.13889	0.6
249.10301	1.5
250.11058	0.8
251.08200	3.2
251.11852	5.8
252.09010	1.8
252.12474	2.2
253.09808	5.5
253.13452	1.9
256.15543	0.7
263.08356	1.0
263.11877	0.9
264.08884	0.7
264.12589	0.6
265.09784	2.7
265.13364	1.9
266.10812	2.7
266.13470	0.6
267.11359	6.0
267.15024	7.7
268.12164	4.3
268.14847	0.8
269.12921	2.6
278.10757	2.6
279.11362	14.9
280.12088	7.5
281.12930	4.8
283.11136	0.7
283.14343	0.9
285.12445	55.7
286.12689	4.1
293.13010	1.9
294.10382	0.8
294.13519	2.3
295.10791	1.4
295.14554	0.7
297.12387	0.8
307.10452	0.6
311.10626	0.9
311.14050	1.1
312.11163	3.0
313.11795	3.1
314.12592	0.6
316.14587	1.8
325.11914	1.1
328.14542	0.9
330.12521	0.6
334.74551	0.5
339.13507	7.3
340.13898	0.6
342.12329	1.2
342.16263	0.5
344.17770	0.7
356.13998	1.1
357.15207	1.2
358.15424	3.1
359.16043	0.6
360.17078	0.5
370.15298	0.6
371.16452	0.7
372.17096	2.7
374.18622	1.6
386.14587	2.4
386.18927	1.7
387.15335	0.8
387.19748	0.8
398.18704	1.8
400.16443	5.7
400.20480	0.6
414.18234	1.6
415.19022	6.0
416.19547	1.4
418.18243	0.7
430.16824	0.8
430.21964	1.0
432.19165	3.4
433.20084	0.6
442.17416	0.8
444.15967	0.6
446.17502	0.7
450.20535	0.7
459.17914	7.7
460.18729	6.5
463.20935	1.1
464.21234	0.6
465.22836	0.9
474.20328	7.1
475.20560	1.3
477.19067	0.6
478.19339	0.7
486.16785	0.6
492.21317	2.1
503.20822	0.6
506.23154	0.8
519.20056	11.0
519.27722	0.9
520.20807	14.9
521.26447	4.9
522.25726	0.8
534.22437	100.0
535.22845	13.2
546.18335	1.0
553.24823	0.9
565.24518	20.6
566.24860	3.7
581.27838	4.3
583.25677	0.8
597.27100	1.9
607.25574	0.5
625.26624	53.2
626.27008	10.0
626.36401	0.9
657.29248	62.3
658.29578	12.3
683.27429	1.2
701.37769	0.7
722.88397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
59.06617	0.8
63.65390	0.8
67.63943	0.9
75.70201	0.9
94.79762	0.9
98.19810	3.2
135.04428	0.9
171.10133	1.1
177.89870	1.1
179.03426	0.9
209.11935	1.1
234.80435	0.9
255.23320	2.7
309.43430	0.9
438.13211	4.2
452.14841	3.1
467.13486	1.5
481.15149	33.4
482.15579	6.9
495.16788	12.8
496.17041	2.6
497.18442	5.6
498.18106	1.4
514.14838	4.1
539.16498	1.9
540.16357	8.2
541.16809	1.2
554.18060	2.8
555.18884	55.6
556.19153	10.4
567.18311	1.4
572.15454	18.5
573.15564	1.5
586.17078	6.7
587.16968	1.1
609.19916	1.9
627.21906	1.4
641.22510	28.8
642.22699	5.5
701.24664	53.8
702.25018	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	699.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.2
59.01248	5.6
69.03292	0.6
70.79815	1.2
71.01254	4.1
73.02831	0.9
83.01227	0.6
85.02805	1.2
87.00766	1.1
89.02312	2.6
94.86497	0.5
97.02827	0.5
97.06457	2.6
98.48430	0.5
99.00804	0.7
101.02323	3.3
101.69217	0.5
107.43190	0.6
111.08021	3.8
113.02316	1.9
113.83739	0.5
118.26046	0.5
119.03368	1.2
121.79420	0.4
123.08038	0.6
125.09609	14.6
127.11165	1.4
129.83215	0.5
143.03383	0.6
145.04974	0.5
153.09203	1.2
161.04465	1.9
167.10712	0.6
169.12248	1.4
171.10179	100.0
172.10527	3.7
179.05553	0.6
181.12291	0.9
187.09683	10.3
195.13860	0.6
197.11772	20.6
198.12088	1.2
199.13313	1.8
209.11865	0.9
211.13394	3.2
211.15108	0.6
223.13396	0.7
229.19820	0.6
235.08124	4.5
253.09274	12.0
263.20135	1.2
265.17984	0.9
273.18686	0.6
291.19653	12.6
292.19879	0.9
293.21249	1.6
309.20694	33.7
310.21152	2.5
327.69498	0.6
407.19162	1.5
423.18719	2.0
423.63104	0.6
463.23212	0.5
463.30582	0.6
545.29663	1.2
577.21143	0.6
699.39581	13.6
700.39563	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	699.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41427	0.3
57.03313	0.4
59.01244	3.2
69.03323	0.7
71.01242	2.9
71.57003	0.3
71.57488	0.5
73.02816	0.6
73.54528	0.3
83.01247	0.5
83.04871	0.5
85.02827	0.8
87.00755	0.7
89.02326	2.0
90.35252	0.3
95.01254	0.4
97.02814	1.4
101.02324	3.5
111.08041	3.4
113.02325	1.3
119.03381	0.6
125.02298	0.4
125.09598	1.5
127.11160	1.9
137.09616	0.4
140.28169	0.3
145.04973	0.4
153.09093	1.0
161.04477	1.4
165.12782	0.7
169.12297	1.5
171.10176	100.0
172.10522	3.4
179.05482	0.4
181.12253	0.5
183.13779	0.3
197.11758	16.7
198.12050	0.9
199.13298	1.1
209.11769	0.8
209.15543	0.3
211.13312	2.1
225.11131	0.3
227.12871	1.1
235.08209	4.3
243.19687	0.3
247.20724	0.5
249.14888	0.3
253.09267	11.2
254.09727	0.5
263.20184	0.9
265.17999	0.7
273.18585	0.6
291.19650	15.3
292.20038	1.1
309.20700	29.5
310.21057	2.1
345.85254	0.3
407.19138	1.4
416.72101	0.3
463.30646	0.7
545.29590	0.4
576.93372	0.3
665.29968	0.3
699.39880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.3
59.01010	0.3
59.01249	7.1
61.98692	0.5
63.18273	0.2
63.77502	0.2
65.03835	0.2
67.01756	0.8
71.01256	0.9
71.06882	0.4
73.02826	0.4
79.05397	0.5
79.95598	0.3
83.01250	0.3
84.04410	0.3
85.02821	0.4
89.02302	0.3
93.03339	0.4
95.04903	0.7
96.95888	4.5
101.02339	0.5
103.56813	0.2
106.06512	0.3
107.03640	0.3
107.06822	0.2
108.04411	0.4
109.02842	0.2
110.06003	0.2
119.05004	0.2
120.04434	2.4
121.05243	1.8
122.06001	6.8
123.06292	0.2
132.04439	0.3
134.06006	3.5
135.04408	3.2
135.06827	1.4
135.07755	0.3
136.07574	12.5
137.07944	0.4
144.04454	0.2
145.05243	0.3
146.06023	0.2
148.07603	0.4
150.05513	0.2
155.10606	0.2
158.02417	0.3
160.03969	0.3
160.06279	0.2
161.04552	0.2
161.07130	1.0
162.05498	0.5
162.06714	0.2
171.11650	2.0
172.07571	0.2
173.04472	0.4
176.03427	0.2
179.03429	2.8
181.05006	0.2
184.07559	0.3
186.09195	0.5
188.10800	0.2
189.06699	0.2
189.10313	0.4
190.05014	1.5
191.05431	1.0
198.09172	2.0
199.09941	1.7
200.05762	0.2
209.11797	0.3
211.13167	0.2
212.10677	0.2
213.06604	0.3
213.10268	0.2
214.07411	0.9
214.12303	12.1
215.12628	0.6
225.06651	0.5
226.07332	0.6
227.08183	2.7
228.09023	1.0
229.07547	0.1
229.09776	4.1
229.13380	0.2
230.06828	0.4
230.09709	0.3
230.11836	4.2
231.12012	0.2
239.11810	0.4
241.07271	0.3
241.09764	8.0
242.10555	16.1
243.10883	0.8
249.10503	0.2
256.12070	0.7
257.12918	88.8
258.13263	4.8
267.11417	0.2
274.09515	0.3
283.10828	0.6
300.11063	0.4
301.11905	100.0
302.12225	7.2
309.12308	0.3
313.11877	0.2
337.12036	1.4
338.12323	0.2
397.09073	0.3
397.13989	4.5
398.14462	0.5
495.06339	0.2
495.21249	0.3
495.36530	0.4
595.21680	0.2
623.25305	0.3
625.23322	0.3
627.24640	0.2
642.60718	0.2
667.24103	0.3
699.37103	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	699.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	81.9
61.98699	6.8
71.01258	7.2
71.58319	2.4
71.58724	2.8
73.02819	3.4
78.95771	2.5
79.95585	4.0
80.04917	2.9
83.01305	2.2
83.80251	2.1
85.02840	5.5
86.22638	2.1
89.02348	4.5
93.03345	6.1
96.95887	61.4
98.63896	2.3
101.02331	5.4
106.06499	10.9
107.03658	2.5
108.04452	4.0
113.02312	2.7
122.06022	25.2
130.06508	5.1
132.04468	4.4
134.06018	56.3
135.04445	3.9
144.04393	2.2
146.05991	2.7
148.07568	4.5
150.06735	3.6
151.00298	2.9
151.07581	2.5
152.07097	3.5
158.05965	3.6
160.07581	23.8
171.10187	15.4
173.04468	2.7
174.60782	2.1
179.10651	2.5
191.05605	7.4
209.11798	13.4
213.10353	2.3
223.08679	4.5
225.10216	10.6
237.10289	4.8
239.11870	43.5
240.12189	3.6
245.89189	2.3
249.10370	7.3
250.11227	3.8
251.08302	4.7
251.11873	3.0
263.08240	6.4
265.09906	7.1
265.13452	84.3
266.13724	5.2
267.11337	5.4
273.41595	2.6
277.09842	4.8
279.11374	12.9
281.12964	4.6
285.12369	2.3
291.11578	2.6
305.09412	3.9
325.11819	2.9
370.15891	3.3
372.17212	16.1
384.17175	6.0
386.18753	3.0
398.15240	11.7
399.15637	2.7
412.16943	3.8
413.17432	5.1
428.19727	44.5
429.20001	7.1
440.16098	7.0
472.18689	6.3
473.19827	2.9
488.21945	73.1
489.22382	7.8
491.24524	3.8
493.35428	3.3
495.36737	6.4
500.18292	4.7
519.23987	46.3
520.24078	5.5
532.20892	53.8
533.21136	7.3
537.24609	2.8
576.19873	7.1
579.26105	100.0
580.26331	18.2
601.15619	4.2
611.28705	7.7
655.24561	4.1
699.25128	2.4
699.39642	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	699.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40668	3.3
59.01248	24.3
61.98698	7.9
69.03306	3.6
70.62796	3.1
71.01257	26.4
71.58099	4.7
72.99179	5.8
73.02821	8.5
74.33337	3.3
74.51858	3.2
75.78426	3.3
77.88863	2.9
83.01256	13.6
83.04883	3.1
85.02834	10.6
87.00752	28.9
88.98666	7.5
89.02273	6.2
93.03339	6.8
96.95887	27.7
101.02316	12.0
108.02052	5.2
109.02833	28.1
109.96730	3.7
111.00744	17.1
111.04397	3.6
113.02332	8.5
115.00236	37.1
119.04936	4.5
121.02913	3.5
123.04424	11.4
125.02360	3.6
133.02847	18.8
134.03633	8.9
135.02901	3.9
135.04419	42.3
137.05920	4.0
139.00273	15.6
139.03961	4.0
143.04944	8.2
145.02826	5.7
146.03633	5.2
147.04445	8.4
148.05151	5.8
149.02364	3.4
149.05984	100.0
150.03064	4.9
150.06352	5.9
151.00240	7.9
152.00981	3.8
153.01889	9.2
155.10696	20.2
156.00500	5.4
157.01317	12.5
159.04411	14.0
161.02345	53.5
161.05942	12.7
162.02922	4.5
163.03902	15.2
165.05516	11.6
167.03442	13.2
171.04404	9.0
173.04509	8.8
173.05928	5.7
174.01591	10.7
174.03162	18.0
175.02405	51.2
175.03931	44.2
177.01875	6.0
177.05559	16.6
178.02705	3.4
179.03421	22.2
185.06003	4.8
187.03905	33.5
188.04640	8.5
189.05479	60.8
189.07085	5.0
190.05829	5.1
191.03514	7.7
191.05540	24.8
193.04987	16.3
199.09781	17.6
200.04729	5.7
201.05443	18.4
203.03365	19.2
205.04994	17.4
207.02991	3.6
207.04976	4.4
207.06705	4.8
213.05499	15.4
215.03433	83.0
216.04045	7.0
219.02957	10.2
219.06473	5.0
221.04387	6.6
227.03546	6.5
229.05072	4.5
231.06618	37.2
233.04613	16.8
237.04031	42.2
241.05046	9.3
241.10716	6.2
244.03674	6.6
245.04532	11.2
247.06186	5.3
249.07635	9.1
256.07043	3.7
257.04544	17.0
259.02643	3.6
261.77948	3.3
263.05627	5.5
269.01221	5.0
269.08228	4.9
275.05612	68.7
275.08554	4.4
277.03549	11.8
283.11862	5.4
284.10638	8.0
293.06705	37.1
299.12970	4.6
311.07761	10.4
323.07849	6.3
337.05594	26.7
343.13974	7.8
355.07236	5.3
569.16895	4.1
581.18774	39.2
595.20831	4.7
601.18896	9.7
619.20496	16.8
637.21344	7.4
639.19049	6.7
681.20691	12.2
699.20166	75.3
700.20673	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	697.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01590	0.8
61.98708	0.3
67.88435	0.2
71.01260	0.5
71.43969	0.3
85.02831	0.2
101.02332	0.3
109.06496	0.2
119.04918	0.2
119.15456	0.2
121.02840	2.0
125.09644	0.2
135.08011	0.2
135.17522	0.2
142.78377	0.2
143.03458	0.2
162.06717	0.4
171.10184	4.2
177.09164	0.5
185.11673	0.2
185.99570	0.2
191.03470	0.8
191.05350	0.2
209.04469	1.3
209.11797	0.4
217.00386	0.3
235.08142	0.2
253.09410	0.3
286.08502	0.2
289.18033	2.2
307.19077	0.4
312.27979	0.2
313.19827	0.2
316.55701	0.2
326.62228	0.2
401.08850	0.2
402.28088	0.2
593.12396	0.9
656.59503	0.2
696.44659	0.4
697.41803	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	695.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01581	0.8
61.98697	2.2
62.16545	0.6
70.00018	1.9
70.00434	1.4
78.95780	11.3
80.96400	2.0
95.00859	0.6
98.19818	0.7
132.48143	0.6
193.59569	0.7
205.15923	1.3
285.12787	0.6
427.18549	0.7
670.47644	0.7
695.30835	42.0
696.31586	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	694.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68699	2.1
59.01252	3.2
62.68032	1.8
70.72685	4.0
74.95680	1.9
78.69922	1.9
78.95775	19.2
80.96394	2.0
81.03333	2.7
83.04866	8.6
87.48505	1.7
93.20681	2.3
95.52557	1.9
96.57156	1.8
114.59768	1.9
122.36328	1.9
135.61308	1.9
140.01057	6.5
152.99464	4.0
162.11768	2.1
163.11186	8.4
165.12706	5.4
173.35913	1.9
193.88742	1.9
196.03773	4.8
197.11806	2.5
199.13295	16.0
200.70187	1.9
209.11768	100.0
210.12033	5.6
227.12825	28.5
228.62238	2.5
230.05014	1.9
255.23260	67.0
255.25923	3.7
256.23526	3.6
277.21658	13.3
452.27737	5.8
454.17828	2.0
567.86609	2.1
662.40375	19.1
663.41412	3.1
694.42859	46.0
695.43665	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	693.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87785	0.2
55.01756	0.4
57.03327	1.0
58.00467	0.5
59.01248	16.6
61.98700	0.5
65.74168	0.2
67.01738	0.2
69.03312	0.8
70.34480	0.8
71.01248	13.1
72.01556	0.2
72.99175	0.9
73.02803	1.9
75.00735	0.4
78.95773	0.3
81.03323	0.4
83.01254	0.8
83.04881	0.4
85.02822	2.3
85.29627	0.2
87.00751	2.4
89.02312	10.2
91.03910	0.3
93.03287	0.3
95.01256	0.8
96.95879	0.9
97.02824	1.8
97.06464	0.2
97.64713	0.2
99.00751	0.7
101.02316	8.4
109.02787	0.3
109.06423	0.4
111.04397	0.5
113.02328	4.4
113.09597	1.3
115.03903	0.3
119.03381	3.2
121.02882	0.2
125.02351	2.7
131.03386	0.5
133.02867	0.5
133.05005	0.3
134.03600	0.7
135.04425	0.6
137.02306	0.6
139.03891	0.4
143.03391	1.6
149.04401	0.3
161.04465	2.5
162.83943	0.2
163.07484	0.4
171.10152	0.8
173.04407	1.0
177.01884	0.4
177.12785	0.5
178.02672	1.0
179.05522	2.6
179.14319	0.9
181.12209	0.5
185.04572	0.2
191.05579	0.7
195.13831	13.9
196.14214	0.8
207.10228	0.4
209.11769	0.7
211.13333	0.9
221.06667	0.7
235.08199	3.1
251.23691	0.3
253.09033	1.0
263.07626	0.4
275.09244	1.1
277.21701	12.3
278.21988	0.6
287.07578	0.5
295.22757	100.0
296.19730	0.4
296.23102	8.2
305.08728	0.6
323.09763	0.5
329.69302	0.2
379.12283	0.2
397.13470	18.9
398.13748	1.2
413.35416	0.2
415.14542	19.7
416.14719	1.3
449.14420	0.5
489.32938	0.2
653.93707	0.3
693.39893	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	693.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
59.01252	8.0
61.98707	1.2
70.92361	1.4
71.01257	3.2
72.99225	0.5
73.02819	1.2
78.95775	0.6
83.01262	1.1
85.02841	1.7
87.00764	1.0
89.02333	1.5
93.03338	1.4
95.01251	0.5
96.95876	5.2
97.06428	0.8
100.57641	0.5
101.02332	2.1
107.04921	1.0
109.02829	0.9
111.04435	0.5
111.13794	0.4
111.43842	0.5
113.02338	1.7
119.04930	1.2
121.02837	0.5
123.04366	0.5
125.02405	0.7
133.02832	0.9
134.03598	3.5
135.04416	100.0
136.01556	1.8
136.04785	3.0
137.02362	0.8
150.04124	0.6
151.03888	2.2
159.02913	0.4
161.02420	0.5
161.04478	0.6
163.03920	0.5
171.10150	1.2
173.04482	1.4
177.01904	1.2
179.03424	91.9
180.03735	3.5
191.05566	3.9
192.91922	0.5
201.11273	1.6
207.04971	0.7
207.10014	0.5
209.11792	2.0
210.12132	1.0
218.07755	0.5
227.12810	0.6
253.09233	0.6
258.69897	0.5
273.16946	0.9
297.09650	0.7
301.12027	0.6
341.08725	8.2
357.13419	1.4
561.23627	0.9
633.38739	1.4
651.22998	0.5
651.39276	0.7
675.31073	1.3
693.31104	17.8
694.31476	2.9
714.39063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.3
59.09880	1.2
69.31319	4.1
69.31733	11.8
71.01254	2.6
76.47355	1.5
76.92844	1.4
82.06522	1.8
93.03329	7.2
96.95884	14.8
98.95397	1.4
99.04411	1.5
106.06509	1.7
108.04412	4.1
109.02896	2.2
110.02316	1.7
110.06019	4.0
121.02777	1.4
121.05231	1.6
122.05975	12.7
133.65901	1.4
134.06006	14.1
135.04427	4.2
135.06787	2.6
136.03929	1.7
136.07619	7.8
137.02310	1.9
137.04863	1.7
140.07079	25.1
144.79576	1.6
146.06000	4.3
148.07614	2.4
149.04732	7.1
150.05478	5.1
151.03900	3.2
152.07053	2.0
160.01559	2.1
161.04738	5.5
162.05515	13.1
164.03453	4.9
164.07092	12.7
166.04994	4.6
167.05739	2.4
168.06578	2.8
172.03946	2.8
173.04498	4.3
178.04918	1.6
179.03305	3.0
190.05124	2.8
191.05518	12.3
204.06551	8.1
205.06915	1.6
211.08716	5.4
212.05794	10.6
212.48453	1.4
215.11859	1.9
225.06659	5.0
225.10236	2.2
227.11865	4.0
229.09859	1.9
236.09393	2.1
237.10289	10.0
238.07336	2.9
239.08212	11.5
239.11839	3.5
240.08952	7.4
241.09792	2.1
243.11316	8.2
251.08192	2.7
251.11842	4.3
252.10124	4.5
252.12474	8.3
253.06133	15.2
253.09802	22.5
253.13417	3.3
255.11353	5.7
257.09280	2.8
261.12405	5.1
265.06180	4.9
266.07031	7.4
267.07730	18.8
267.11346	15.1
268.08554	10.2
268.11908	9.2
269.08862	1.9
269.12827	2.7
271.10852	3.4
273.12442	11.3
279.07724	8.5
279.11130	3.4
280.08524	30.9
281.09256	31.7
282.09689	2.9
283.10806	2.7
284.08017	2.4
284.12964	1.9
285.03986	1.8
285.08926	2.0
285.12341	3.1
295.10864	100.0
296.11530	33.1
297.12378	24.0
298.12704	2.2
299.10394	6.7
301.11984	8.2
303.13474	48.4
304.13733	3.2
311.10504	2.6
312.11136	2.1
313.12048	4.9
321.14441	3.8
327.13431	20.6
328.10544	3.1
328.13971	2.4
339.05600	2.6
339.09717	27.5
340.10461	6.4
341.11343	8.2
351.07428	2.5
357.13577	1.6
371.12466	25.7
372.12802	4.7
373.13812	5.7
390.14478	4.1
392.12659	2.4
404.16101	3.6
406.14041	3.1
407.14468	1.6
420.15640	2.0
435.17883	1.8
466.16223	2.5
479.17001	3.0
480.17773	2.5
508.20480	3.3
511.19406	8.9
512.20087	1.9
557.23895	5.6
599.25085	14.2
601.22986	27.3
602.23547	4.3
617.26147	6.7
625.22174	2.4
633.25555	19.0
634.26178	3.9
643.24066	58.1
644.24066	9.3
661.25122	36.4
662.25800	7.7
675.26599	40.3
676.27240	7.9
693.28564	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	693.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	7.4
71.01239	4.0
71.58283	3.2
81.94753	1.8
85.02811	4.6
85.89764	1.7
87.00745	2.1
93.03326	6.5
96.95898	17.3
101.02322	3.0
113.02325	2.2
117.66412	1.6
122.06004	8.0
133.02866	4.1
134.05991	7.2
135.04370	2.7
135.06784	2.3
137.02353	2.4
140.07062	7.2
146.06067	2.1
150.05504	2.2
151.03831	3.0
155.78180	1.7
160.03882	2.6
161.04726	6.7
162.05472	4.3
163.32741	2.0
164.07005	3.1
173.04443	10.0
176.35005	1.9
186.30640	1.8
190.04948	2.4
191.05498	19.0
204.06563	5.7
209.11743	8.0
212.05838	10.8
225.06651	2.4
229.09982	2.9
237.10312	11.7
239.08223	11.2
240.08943	2.7
241.09703	2.7
243.11353	2.7
252.10391	2.5
252.12697	7.9
253.06145	11.6
253.09827	9.5
253.13518	3.5
255.11292	8.2
265.06015	2.2
266.06961	5.5
267.07724	19.5
267.11325	6.7
268.08392	14.1
268.12027	6.3
270.10205	2.2
273.12479	4.4
279.07715	4.1
280.08453	13.4
281.09283	23.7
282.09613	4.4
283.10718	2.4
285.08972	2.3
295.07721	1.5
295.10864	35.8
296.11612	25.7
297.12146	13.6
299.10284	7.7
300.10962	3.5
301.11823	3.0
303.13531	9.3
309.07745	3.5
313.11865	5.0
324.10153	3.5
327.12582	10.0
328.13837	2.2
339.09085	3.6
339.12424	7.9
340.10587	3.5
341.11148	3.2
371.12466	6.8
372.13071	7.7
373.13968	13.0
376.17087	2.3
390.14560	4.5
397.13666	11.5
415.14429	3.1
420.15643	2.4
434.13443	3.9
466.16000	7.4
479.16959	3.6
501.13519	3.5
511.19577	21.9
512.20123	5.3
633.25555	24.8
634.26117	4.1
643.23944	9.3
665.26367	2.3
675.26733	100.0
676.26697	15.0
693.27960	28.1
694.27930	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.3
57.00635	0.9
57.03317	2.6
59.01250	54.7
60.99181	1.2
61.98699	1.8
62.59525	1.0
69.03327	1.7
69.28769	7.2
69.29173	2.7
71.01253	33.8
72.01575	1.2
72.99188	3.3
73.02817	35.3
74.14126	1.0
75.00762	1.0
81.05698	0.8
83.01263	9.3
83.04916	1.2
85.02821	4.9
87.00760	1.6
88.98691	2.2
89.02307	3.5
93.03358	4.9
95.01259	2.4
96.95881	9.9
97.02872	1.4
98.20484	2.0
101.02320	21.4
109.06464	1.6
111.04366	1.9
113.02309	4.6
119.03416	1.2
125.02338	1.4
131.03470	2.0
132.04402	1.1
133.02832	1.3
135.04454	3.0
151.11171	1.6
152.99500	1.2
153.21989	0.9
155.03468	1.8
155.10646	1.6
160.03854	1.0
161.04477	2.1
165.12769	1.4
165.88853	1.1
169.12285	3.6
171.10202	5.5
172.10521	1.1
173.04478	7.9
175.03827	1.1
175.07524	0.9
177.01938	1.6
179.03419	1.0
179.05621	1.0
183.91345	1.1
191.05508	9.4
197.11690	2.9
199.13353	1.1
201.05533	1.8
201.11353	2.4
202.11629	1.4
207.10147	1.7
209.11804	15.4
210.12088	6.1
211.13347	1.5
213.11246	1.1
215.07115	1.7
225.11305	2.2
227.12766	1.6
229.08696	1.1
253.09297	2.2
291.07608	1.0
441.22974	1.4
469.33234	1.3
473.25372	1.6
485.21823	1.4
487.34271	47.8
488.34589	7.0
488.40994	1.3
631.38129	2.9
659.33643	6.3
660.33325	2.7
691.40729	100.0
692.41132	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	691.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52075	1.4
57.38313	1.5
59.01250	59.2
61.98372	1.8
61.98694	3.7
62.58453	1.4
66.53400	1.6
69.03331	1.8
71.01249	38.9
71.01611	3.2
71.58217	1.8
73.02819	36.5
78.95790	2.7
83.01254	10.6
83.04879	2.3
84.99209	1.5
85.02837	5.3
87.00766	3.4
88.98679	3.3
89.02325	6.5
92.62543	1.5
93.03338	9.9
95.01300	2.1
96.95888	21.9
97.02835	2.3
99.00744	2.2
101.02316	26.8
101.99245	1.7
102.02631	1.8
109.06535	1.9
110.43551	1.9
111.04419	2.5
113.02329	7.1
125.02347	1.8
131.03404	2.1
134.03642	4.0
135.04445	2.4
149.05962	2.1
151.11227	4.2
152.99503	2.5
154.24820	1.7
155.03383	2.7
161.04562	3.7
168.37151	1.5
169.12221	19.0
171.10210	5.8
173.04466	12.8
177.01917	1.9
179.03500	3.7
187.07640	2.0
191.05545	19.0
193.12199	2.2
196.68088	1.8
197.11778	1.9
201.11255	3.3
207.04924	1.7
209.11804	29.0
209.15347	2.3
210.12189	4.0
211.13280	5.2
213.11195	2.6
215.07094	2.9
225.11272	3.0
226.11555	1.9
227.12897	3.4
229.08559	2.5
235.08147	1.7
253.09410	2.8
275.20309	2.0
293.21353	4.4
397.13486	4.0
415.14807	2.6
487.34344	46.6
488.34750	5.9
517.24371	2.5
579.11072	1.8
586.79901	1.8
637.32794	2.3
649.38751	2.3
659.33307	18.3
660.33752	3.2
691.40814	100.0
692.40961	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	691.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37721	0.8
54.48862	1.0
57.03328	1.0
58.00461	1.3
59.01249	61.7
61.98697	3.7
62.26557	1.3
69.03339	2.0
71.01254	40.0
71.57380	1.3
71.57763	1.5
72.99183	2.2
73.02821	42.2
78.95770	2.1
83.01262	13.7
85.02799	4.0
87.00732	4.7
89.02311	5.3
94.51360	1.0
95.01231	1.4
95.04847	1.4
96.54079	1.0
96.95863	1.8
97.02846	1.6
99.00726	2.3
101.02325	24.3
113.02332	7.3
119.03368	1.2
125.09573	1.3
129.71606	1.1
137.09619	2.8
139.11208	8.8
143.03374	2.0
152.99377	1.5
155.03278	1.1
161.04428	2.6
171.10245	2.3
173.04463	1.7
191.05582	2.3
207.10236	3.2
209.11749	5.5
212.19067	1.1
225.11240	2.5
253.09079	1.6
293.21289	7.6
324.07355	1.2
394.00812	1.1
397.13416	3.7
415.14615	1.3
469.33234	1.6
485.32465	1.8
487.34268	37.2
488.34470	6.4
559.36658	1.4
631.38635	2.0
649.39520	3.2
691.40643	100.0
692.30353	1.4
692.41168	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19497	0.3
57.03313	0.3
58.00468	0.4
59.01249	3.9
65.13769	0.3
69.26151	2.8
69.26556	0.7
71.01251	2.5
71.04900	0.3
73.02805	0.8
80.02557	0.5
81.03310	1.0
83.01257	0.6
83.04890	4.3
84.02025	0.5
85.02808	0.9
87.00759	0.6
89.02318	1.6
92.07922	0.3
93.03339	0.8
95.01180	0.3
95.04900	0.8
96.95888	0.8
98.20587	0.4
101.02331	2.7
109.06521	0.4
113.02305	1.0
117.83169	0.3
119.03378	0.5
121.43166	0.3
125.02364	0.4
125.09592	0.8
127.11161	1.1
135.04404	0.7
135.08014	0.9
139.03862	0.3
139.11308	0.7
155.10690	0.7
161.04442	0.9
163.11177	3.1
165.09174	0.5
165.12798	1.9
171.10193	1.3
172.10558	0.5
173.04517	0.6
177.01834	0.4
179.03406	0.5
179.05609	0.3
181.12291	0.6
188.50729	0.3
191.05533	1.3
191.10750	0.6
199.09718	0.5
201.11259	22.6
202.11609	1.1
209.11769	100.0
210.12128	6.4
225.11331	0.8
227.12845	14.2
228.13234	1.0
235.08206	2.7
247.13266	0.4
253.09261	8.2
254.09665	0.3
265.14563	0.3
274.47021	0.4
317.34607	0.3
347.15189	0.5
375.21841	0.7
393.22943	0.7
437.20178	1.4
445.20810	1.3
487.34372	0.9
611.30859	0.4
637.32764	0.5
691.26764	0.5
691.42029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
56.50137	0.2
57.03300	0.7
58.00458	0.6
58.93724	0.2
59.01250	17.1
68.99685	0.3
69.03312	0.7
71.01254	13.6
71.06705	0.5
72.99178	0.6
73.02810	1.8
78.95702	0.2
81.03333	0.4
83.01254	1.1
83.04881	0.2
85.02834	2.9
85.29510	0.2
87.00753	2.6
89.02313	11.1
89.04263	0.2
91.03884	0.3
93.03348	0.4
95.01259	0.9
97.02846	1.7
99.00763	0.7
101.02322	10.1
111.00736	0.4
111.04398	0.4
111.08026	0.5
113.02327	5.3
113.09644	0.4
119.03385	3.2
121.02801	0.2
121.54615	0.2
125.02337	3.4
127.03886	0.2
131.03392	0.7
133.04919	0.4
139.03893	0.3
143.03363	1.7
149.04422	0.3
161.04472	2.1
167.03328	0.3
169.05095	0.2
171.10217	0.3
173.04443	0.4
179.05533	2.9
179.14323	0.6
191.05556	0.6
195.13838	7.2
196.14423	0.8
196.78725	0.2
205.12297	0.9
205.15814	0.4
209.11797	0.6
211.13278	0.8
221.06670	0.8
223.13339	5.8
224.13722	0.5
225.11058	0.2
225.14862	0.3
228.13597	0.4
231.21027	0.3
235.08194	3.1
245.06598	0.3
253.09335	1.2
256.13101	1.1
263.07730	0.4
265.21768	0.3
267.37302	0.2
275.20154	4.0
287.07669	0.6
293.21213	100.0
294.21555	10.2
305.08847	0.8
313.18933	0.2
317.21359	0.2
323.09708	0.4
397.13480	21.7
398.13977	1.7
415.14551	24.7
416.14865	2.3
461.23700	0.2
575.11218	0.2
631.38617	0.8
649.39728	0.3
654.27112	0.4
688.67706	0.3
691.41711	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	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06047	0.4
53.47335	0.3
55.01745	0.6
57.03322	0.8
58.00460	0.8
59.01251	18.5
61.70745	0.4
61.98693	0.6
69.03330	1.0
70.86465	1.2
71.01251	15.2
72.99180	1.4
73.02818	2.1
75.00751	0.5
78.95769	0.6
81.03329	0.8
83.01262	1.7
83.04860	0.4
85.02814	3.9
87.00742	2.8
89.02315	10.7
93.03354	1.0
95.01257	0.7
95.04860	0.5
96.95879	1.8
97.02837	1.6
98.20524	0.4
99.00758	1.0
101.02322	10.7
102.02682	0.4
109.06476	0.6
111.00785	0.6
111.04411	0.7
111.08066	0.5
113.02332	4.5
119.03376	2.6
125.02325	3.3
125.09616	0.3
131.03403	0.5
137.02409	0.4
143.03369	1.7
152.99556	0.4
161.04436	2.2
163.07622	0.5
167.10712	0.4
169.12177	0.4
171.10136	1.8
173.04474	2.0
179.03235	0.5
179.05528	3.3
179.14308	0.5
191.05524	2.6
195.13840	6.4
196.14380	0.7
197.11755	0.4
200.04570	0.5
201.11255	0.5
204.07764	0.4
205.12152	0.7
207.10204	0.9
209.11758	6.0
210.12065	1.0
211.13290	1.2
221.06645	0.6
223.13338	5.8
225.11266	0.9
225.14680	0.4
227.12840	0.9
228.13577	0.4
229.08690	0.4
235.08180	4.2
253.09242	2.1
256.13086	1.2
263.07852	0.5
265.21674	0.8
275.20123	4.3
277.09332	0.4
287.07730	0.5
293.21213	100.0
294.21500	8.3
305.08786	0.6
397.13486	21.1
398.13742	1.9
415.14539	24.8
416.15057	1.8
656.03186	0.4
691.33148	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	691.311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	18.0
60.87107	2.8
61.98709	7.3
70.72742	6.3
71.01261	12.0
73.02803	3.7
78.95782	3.7
85.02813	3.9
87.89542	2.5
116.23212	2.7
124.79431	2.7
152.99387	4.0
160.20724	2.6
171.10191	7.0
173.04434	5.7
191.05545	6.1
201.11177	4.6
207.10239	5.2
209.11757	100.0
210.12115	11.8
218.48141	3.3
225.11267	5.6
227.12828	15.0
253.09358	5.6
293.21335	5.7
432.62888	3.2
445.20224	4.1
522.28998	3.3
567.28503	4.0
691.30908	6.4
700.21185	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	691.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
57.74444	1.0
59.01249	22.5
61.98686	1.6
71.01259	12.3
72.99162	1.4
73.02821	2.5
78.95794	2.4
81.03336	1.7
81.81663	1.1
83.01249	1.2
83.04880	5.3
84.02048	1.5
85.02828	4.0
87.00755	1.9
89.02307	5.4
89.76843	1.0
93.03330	4.0
95.04923	1.9
96.95901	3.6
97.06481	3.7
101.02320	5.8
109.06467	1.0
113.02323	4.1
135.04422	1.8
142.76839	1.2
151.11195	15.7
159.04231	1.0
161.04506	2.2
163.11189	2.2
165.12868	1.7
169.12251	85.7
170.12587	4.3
171.10173	1.9
173.04424	4.8
187.07639	1.3
191.05472	9.1
192.05913	1.3
195.10243	2.2
197.11833	1.1
201.11311	1.5
209.11769	45.6
210.12175	3.2
211.13377	1.6
213.11272	10.8
215.57306	1.0
222.85472	1.1
225.11212	1.1
227.12854	5.0
235.08226	1.8
253.09216	6.1
293.21161	6.3
397.13486	1.9
415.14868	1.9
449.20218	7.9
487.33890	1.2
641.31561	2.2
659.32831	100.0
660.33179	15.3
691.35077	7.9
692.35992	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	691.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72130	0.4
59.01255	0.7
66.40660	0.5
71.57283	0.7
79.95609	1.3
83.46586	0.4
85.02808	0.6
87.56332	0.4
96.95889	100.0
98.95452	0.8
122.33176	0.4
124.27610	0.4
154.22881	0.6
155.23990	0.5
173.04497	0.6
191.05591	2.4
207.05101	0.6
305.10635	75.7
306.10995	5.7
367.67477	0.5
383.52820	0.5
461.60391	0.5
474.71912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.31
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	20.2
61.98693	6.7
65.94263	3.0
70.14288	6.5
70.14688	10.3
71.01245	13.7
72.39106	2.9
73.02846	4.7
74.81095	2.8
78.95768	7.0
83.01195	3.8
96.95912	3.3
101.02319	5.2
111.04452	3.2
127.03864	3.4
140.49115	2.8
152.99490	3.7
171.10179	10.6
173.04576	3.6
181.12137	3.6
191.05530	6.6
201.11168	4.1
207.10109	5.1
209.11775	100.0
210.12117	11.0
216.69081	3.0
225.11195	3.3
227.12836	11.3
228.13365	3.3
245.95491	3.1
253.09293	5.8
293.21271	6.0
606.14789	3.4
673.32935	3.6
673.81293	3.1
691.32312	9.8
692.31671	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	691.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89131	0.1
59.01223	0.1
61.66965	0.1
64.38126	0.1
69.49414	0.5
69.49830	0.3
70.80735	0.1
71.01231	0.2
71.97742	0.1
77.07170	0.1
79.95605	2.6
84.52224	0.1
96.95889	100.0
97.95833	0.4
138.72478	0.1
191.05501	0.2
227.03403	0.1
255.03036	0.4
260.95731	0.1
272.63596	0.1
284.03323	0.5
593.15186	0.6
594.15533	0.1
691.15259	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	691.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33241	0.6
59.01250	1.6
62.74822	0.6
65.46079	0.7
67.01749	1.1
67.33181	0.7
71.01262	1.1
71.56710	1.0
73.02827	1.0
79.95607	0.9
81.03319	1.1
85.02822	6.7
87.00763	3.5
88.61648	0.7
91.60850	0.6
92.55878	0.7
93.03339	12.0
96.95890	39.2
98.95488	1.1
107.04877	1.2
107.94860	0.7
109.02854	1.4
111.04402	2.5
111.90212	0.6
121.02903	0.8
125.02364	0.7
127.03911	1.9
133.02899	1.7
135.04427	2.2
153.01820	0.8
161.02440	0.6
163.03944	1.2
171.02934	1.0
173.04469	12.6
179.03372	5.1
191.05542	100.0
192.05885	3.5
193.05934	0.8
193.36830	0.8
207.05016	3.9
233.12680	0.7
276.91473	0.7
303.09070	4.6
305.10629	17.8
306.11127	1.2
337.09283	10.9
338.09589	1.2
353.08728	22.3
353.13126	1.1
354.08990	1.0
431.00128	0.7
459.82706	0.9
467.83203	0.7
499.12079	1.0
691.19141	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	691.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89131	0.1
59.01223	0.1
61.66965	0.1
64.38126	0.1
69.49414	0.5
69.49830	0.3
70.80735	0.1
71.01231	0.2
71.97742	0.1
77.07170	0.1
79.95605	2.6
84.52224	0.1
96.95889	100.0
97.95833	0.4
138.72478	0.1
191.05501	0.2
227.03403	0.1
255.03036	0.4
260.95731	0.1
272.63596	0.1
284.03323	0.5
593.15186	0.6
594.15533	0.1
691.15259	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	689.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76875	0.3
53.47223	0.3
67.83067	0.3
69.71275	2.0
74.72155	0.3
79.95610	1.0
94.38663	0.3
96.95883	100.0
97.95825	0.4
98.19784	0.4
106.56520	0.3
118.49509	0.3
136.44437	0.4
152.79097	0.3
191.05624	1.1
303.09052	79.6
304.09390	4.4
305.10623	0.5
357.38766	0.3
390.20093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
57.03312	1.5
58.00463	1.1
59.01251	8.4
71.00885	0.9
71.01253	10.1
71.29163	0.8
71.38134	0.8
72.99161	0.6
73.02820	2.8
73.61489	0.5
75.21709	0.5
76.17641	0.6
80.02557	1.2
81.03326	1.9
83.01253	0.8
83.04899	5.9
84.02066	0.6
85.02824	3.1
87.00739	2.5
89.02312	2.5
93.03326	1.5
95.01247	0.7
95.04916	1.7
96.95882	3.9
97.02840	1.8
97.06459	0.6
99.00762	0.8
101.02311	3.6
107.04845	0.7
107.18468	0.5
109.02827	0.8
109.06486	2.8
111.04379	1.0
111.08046	0.5
113.02323	2.4
119.03358	1.0
122.06017	0.7
123.07982	0.6
125.02316	0.7
125.05959	0.7
125.09602	2.0
127.11163	1.8
135.04482	0.8
135.08026	1.4
137.09644	1.0
139.07608	0.6
143.03419	0.7
146.04497	0.8
151.11247	0.7
152.07033	1.0
153.09155	0.7
155.10652	1.1
161.04468	1.8
163.11191	7.2
165.09044	0.7
165.12778	2.5
167.10707	0.6
171.10179	47.3
172.10518	1.7
173.04468	1.1
179.10661	0.8
181.12247	1.9
183.10258	0.7
185.11723	1.5
187.09537	0.6
189.09164	1.2
189.12822	0.6
191.05540	3.6
191.10742	1.1
197.11771	2.4
199.09726	1.0
199.13371	0.8
201.11259	13.8
202.11656	0.8
202.69952	0.5
207.10208	10.8
209.11768	100.0
210.12173	5.1
215.12825	0.8
225.11270	34.1
226.11620	2.3
227.12846	15.8
233.11880	0.9
235.08157	4.2
243.12360	3.0
251.12857	2.7
253.09250	12.8
266.78149	0.5
267.11563	0.7
281.14297	0.5
295.10324	0.7
299.96451	0.7
399.21933	0.6
407.19104	1.1
417.22620	0.9
443.19363	0.7
445.20526	0.8
461.20279	4.0
477.50150	0.5
484.49283	0.6
613.22375	0.7
615.36200	0.7
635.30792	0.8
653.31653	1.9
671.32556	1.7
688.39789	0.8
689.33405	1.3
700.11755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86978	0.8
55.01749	1.1
57.03307	1.0
58.00465	1.1
59.01248	17.7
69.03316	1.2
70.86708	0.8
71.01250	12.2
71.04883	1.1
71.58591	1.4
79.95633	1.3
81.64893	1.2
83.01263	2.2
83.04913	4.4
84.02044	1.1
85.02802	4.6
86.97649	0.8
87.00747	2.7
87.95849	0.9
89.02320	2.9
93.03333	3.9
95.01254	1.2
95.04927	1.4
96.08052	1.0
96.95885	19.6
97.02832	2.2
97.06484	1.4
99.00786	5.0
101.02306	8.2
106.06439	1.3
107.01272	2.8
107.04872	1.3
108.04429	3.7
109.02823	1.8
109.06466	5.4
113.02323	5.0
117.03380	1.1
119.03404	1.8
121.02810	0.9
121.06457	0.9
122.05943	1.1
125.02373	1.7
125.09599	3.1
127.11156	1.0
127.98179	0.9
132.04439	1.0
134.05978	1.9
135.04384	2.7
135.08038	2.1
136.07559	2.0
137.02312	1.3
137.09676	1.2
151.00279	3.8
152.07097	1.2
153.01883	1.4
153.09029	1.2
155.10670	1.4
159.04399	1.3
161.02303	1.1
161.04480	1.3
163.11198	7.5
165.09039	1.1
165.12825	1.7
171.10179	19.9
173.04526	4.8
173.05829	1.2
175.03949	0.9
178.02682	1.5
178.99710	1.6
179.03348	1.0
181.12283	5.4
185.06000	1.2
185.11685	2.0
186.51323	1.2
187.03860	1.7
191.05551	10.9
197.11754	2.9
199.09741	3.5
199.13301	5.1
201.11230	13.8
202.11572	1.0
207.04996	1.7
207.10211	21.8
208.10551	1.2
209.11763	67.6
210.12067	4.5
211.03941	3.2
220.02518	2.1
225.11302	25.9
226.11594	1.6
227.03436	80.9
227.12828	11.7
228.03667	6.2
228.13202	1.2
229.05055	2.7
235.08138	3.0
239.08180	1.2
241.09891	1.6
243.12263	3.0
251.12770	1.6
253.09341	9.2
255.02956	100.0
256.03488	12.6
257.04440	3.8
257.12988	3.1
267.11353	1.5
271.02414	1.3
283.02451	1.0
284.03247	84.3
285.03998	76.4
285.08682	1.3
286.04288	3.1
287.10391	1.8
291.19547	1.8
295.10782	2.1
301.03574	2.4
327.05157	1.1
353.06726	1.2
389.65808	1.1
399.21613	1.5
436.18768	1.9
437.20453	1.3
443.19162	1.5
445.20792	1.3
461.20267	4.1
595.21875	1.9
609.28406	1.1
613.22968	2.7
615.20862	7.5
635.30389	2.3
639.22156	1.7
645.31470	2.3
653.31586	3.8
657.21851	91.0
658.22083	15.8
671.32904	5.3
688.30872	1.2
689.24164	14.1
689.34216	16.7
690.24213	2.8
690.34412	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	689.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.4
65.05948	0.1
69.40289	1.2
71.01238	0.2
79.95599	1.2
84.73038	0.1
88.34498	0.1
95.36374	0.1
95.52820	0.1
96.95882	100.0
97.95821	0.2
98.95474	0.2
109.02835	0.4
110.22121	0.1
113.23389	0.1
137.02284	0.2
152.01018	0.3
153.01836	0.4
191.05524	0.4
207.52988	0.1
209.11703	0.3
240.41116	0.1
279.92068	0.1
289.11136	61.2
290.11472	3.5
295.10913	0.2
313.11465	0.1
321.91385	0.1
355.12961	0.2
382.87344	0.1
425.42731	0.1
472.78281	0.2
527.35699	0.2
592.60913	0.2
635.89630	0.2
651.30243	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	688.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31321	1.5
55.01758	2.8
57.03301	2.3
58.00485	1.4
59.01251	88.0
60.81554	1.5
61.12417	1.5
69.03331	1.7
71.01255	57.0
71.04887	3.9
72.99171	3.1
73.02820	52.4
80.02546	1.7
81.03313	2.6
83.01267	17.1
83.04884	5.4
85.02822	11.4
87.00747	5.1
89.02314	11.9
93.03321	4.0
95.01255	2.5
95.04918	1.6
96.95886	13.2
97.02789	2.4
97.06467	3.1
98.65602	1.6
99.00764	2.8
100.80494	1.7
101.02325	48.9
109.06470	5.2
111.04386	3.8
113.02328	12.4
115.07526	6.6
119.03368	5.6
125.02275	2.2
125.09634	2.6
131.03384	3.8
135.04369	3.0
137.02379	1.8
143.03389	3.9
147.45343	1.5
149.04453	3.1
155.03391	1.9
156.10213	4.8
158.11812	8.1
161.04497	8.7
163.11209	7.1
164.11507	1.8
165.12750	4.9
171.10176	25.2
171.88342	1.5
172.10555	2.8
173.04486	4.6
175.04257	1.8
179.03371	2.3
179.05444	1.9
179.10632	2.1
181.12263	5.2
185.11736	2.1
191.05542	11.6
192.05905	2.3
197.11743	12.0
198.12074	3.4
199.13211	1.7
201.11276	5.0
207.04982	1.9
207.10242	15.3
208.10435	3.7
209.09883	3.2
209.11786	59.0
210.12086	9.6
223.09776	1.8
225.11253	22.2
226.11671	3.7
227.12866	14.2
235.08110	2.5
237.18640	5.2
243.12332	3.4
253.09247	6.5
281.17554	4.9
386.46527	1.7
422.29111	3.3
461.19861	1.9
473.32437	5.5
503.25134	3.5
528.28003	3.0
546.29279	4.5
584.34985	2.3
602.35492	4.5
631.22632	1.7
644.36462	100.0
645.36768	18.1
653.32477	2.7
670.31482	3.3
688.32269	25.2
688.42072	2.8
689.33813	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	687.3959
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
59.01253	13.9
61.98692	1.0
66.21471	0.6
71.01247	5.8
71.12003	0.9
71.12322	1.4
73.02816	17.6
77.29034	0.6
78.95759	1.8
83.01248	0.8
83.04871	0.9
85.02833	3.1
86.48943	0.6
87.00750	1.5
87.04404	0.8
89.02309	3.0
93.03345	2.2
94.06528	0.7
96.95885	5.4
97.06509	0.9
98.84383	0.6
99.04404	1.9
101.02322	3.0
106.06513	0.9
107.04939	0.7
108.02042	5.0
109.02846	4.5
109.06478	1.2
111.00755	0.8
111.04402	1.5
113.02346	2.1
113.06012	1.0
116.92688	0.6
118.28655	0.7
119.03373	1.4
120.99533	8.5
121.02848	0.8
121.06483	1.0
122.03603	1.0
122.06010	3.2
123.04386	1.6
124.01492	1.0
125.02354	0.9
125.05948	0.9
127.03854	0.8
134.06033	2.7
135.04436	2.3
135.08038	1.6
136.05190	1.3
136.07568	2.9
137.02327	1.8
137.05962	1.2
139.07495	0.9
148.05104	1.1
149.06009	6.2
150.06763	67.7
151.00258	1.0
151.07271	3.2
152.01099	5.1
153.01813	3.0
155.10732	1.2
161.09602	2.0
162.05502	1.1
162.06778	1.7
163.07555	11.0
163.11203	1.0
164.08337	13.5
165.05505	1.1
167.03358	1.0
171.10152	3.3
171.12378	0.7
173.04495	2.1
176.08356	1.3
177.09132	2.5
178.09941	3.1
178.99806	1.4
179.03456	1.7
179.10693	54.5
180.06580	1.1
180.11014	2.0
191.05597	6.4
191.07161	1.1
199.09550	0.9
201.11064	0.7
207.10321	0.8
209.11818	6.3
215.12788	1.0
223.09674	0.9
225.11285	1.1
227.12927	1.2
253.09340	1.5
257.04163	0.8
271.02466	1.2
279.11237	1.0
281.49246	0.8
293.09488	0.9
299.01889	1.0
300.02579	1.2
301.03601	1.5
302.12823	0.8
303.13470	5.2
321.20941	1.0
329.23306	0.8
389.25793	1.3
418.27274	1.0
433.29797	2.1
436.28192	11.2
437.28943	2.0
450.29910	8.9
451.30624	43.3
452.30960	4.7
456.32428	0.8
463.34692	1.4
467.29807	1.0
476.18237	1.6
507.33551	1.7
520.20752	4.2
521.21375	1.0
524.33392	2.4
525.34186	7.1
583.25464	1.1
613.35925	0.9
643.27887	3.0
669.39343	1.1
687.39874	100.0
688.40503	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	685.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20360	0.7
56.21211	0.6
56.43656	0.7
57.03323	1.2
59.01247	12.9
61.28497	0.7
61.98701	6.3
68.99735	0.8
71.01260	4.7
71.58143	1.0
73.02816	18.5
73.56155	0.6
74.93745	0.6
75.00771	0.8
75.97810	0.6
78.03872	0.8
78.95757	1.8
82.95287	1.7
83.01251	1.1
85.02821	2.3
87.00755	1.3
88.61634	0.6
88.98670	0.7
89.02327	2.6
93.03338	2.5
96.95890	8.7
99.04402	2.0
101.02316	3.1
108.02041	2.0
109.02840	1.4
109.06459	0.7
111.04385	0.8
113.02332	2.4
119.03421	0.8
119.04895	0.8
121.02814	0.9
122.03636	1.5
122.06053	1.7
123.04430	2.2
123.08076	0.7
124.01575	0.8
125.02339	2.4
132.04480	1.6
134.03629	1.5
134.06038	4.0
135.04451	1.8
135.08089	1.2
136.05193	0.7
137.02336	1.6
137.05980	1.3
138.06731	2.1
139.07622	0.8
144.36255	0.6
149.05954	2.2
150.06766	47.7
151.00227	1.1
151.07346	2.8
152.01044	2.0
152.07112	1.0
152.99472	1.1
153.01868	2.2
161.04463	1.4
161.09566	0.7
162.05502	0.8
162.06810	2.2
163.03986	0.9
163.07553	9.5
164.08350	8.7
165.05553	0.9
165.09007	0.8
167.03365	3.2
168.00542	0.7
171.10173	1.4
171.11652	0.9
173.04457	2.9
173.99435	0.8
176.08357	0.9
177.01790	0.9
177.09154	2.8
178.09927	1.9
179.03468	1.0
179.10698	33.9
180.11096	1.6
185.11742	0.7
191.05553	6.0
191.14302	1.0
198.09251	0.7
201.11247	1.3
207.10316	1.0
209.11832	1.4
221.11842	3.0
233.15245	0.9
257.13046	2.0
266.78299	0.8
279.11356	1.0
301.11926	2.3
303.08148	0.7
306.18323	1.5
312.12439	1.1
321.20657	2.0
333.16171	1.1
339.13547	1.4
343.25171	0.7
350.20871	4.6
351.21695	0.8
373.25931	8.2
383.12363	1.0
416.25424	5.6
417.25925	0.8
431.28012	19.4
432.28571	2.3
448.28180	3.3
449.29056	3.7
452.19553	2.2
495.24622	0.9
505.31836	2.0
522.32037	0.9
523.32739	9.5
524.33258	0.8
538.24103	1.2
598.25500	1.1
641.26172	5.2
667.37537	1.6
685.38208	100.0
686.27667	1.1
686.38483	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	685.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56473	1.0
59.01248	8.8
63.51791	0.9
69.07349	0.9
69.43440	8.7
71.01250	11.0
73.02822	4.9
76.45708	0.9
83.01196	1.1
85.02821	3.9
87.00742	3.4
87.04385	3.4
89.02299	5.3
96.95866	5.7
101.02328	6.4
113.02325	3.3
124.40904	1.0
125.02300	3.5
135.08041	2.2
137.09625	15.9
138.09981	1.1
139.11180	1.0
155.10681	100.0
156.11018	4.1
161.04474	2.1
169.12241	3.3
170.31776	1.1
174.85962	1.0
181.08595	4.4
191.05516	3.3
199.09695	68.0
200.09998	4.0
209.11766	4.6
213.11256	2.3
221.06616	2.3
227.12849	1.8
241.10822	15.3
301.12863	5.6
304.48169	1.1
327.08569	1.1
361.15033	18.4
361.19482	1.2
362.15384	1.9
392.72461	1.2
403.16058	23.6
404.16467	2.0
433.17227	5.5
448.52353	1.1
450.37720	1.2
463.18106	13.0
486.12430	1.1
505.18753	1.5
523.20282	23.4
524.20435	2.4
685.25513	56.7
686.25995	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	685.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	9.8
65.03816	0.2
65.99729	0.2
67.01752	0.5
68.59479	0.1
69.03288	0.2
71.01236	0.5
71.58047	0.3
73.02805	0.2
79.05392	0.4
79.95597	0.2
83.01184	0.2
84.04433	0.2
85.02808	0.2
95.04884	0.6
96.95885	4.1
101.02364	0.2
104.04945	0.5
106.06495	0.6
107.03654	0.3
108.04430	0.7
110.06002	0.2
120.04434	2.6
121.05231	2.3
122.06009	6.2
123.06290	0.2
132.04446	9.9
133.04767	0.4
134.06010	7.2
135.04419	0.2
135.06841	1.2
136.07578	12.3
137.07886	0.5
144.04456	2.7
146.06015	0.5
148.07545	0.4
150.05554	0.2
150.06776	0.3
152.01027	0.2
152.06969	0.2
155.10622	0.3
158.06047	1.0
159.05440	0.2
160.06277	0.2
161.04597	0.2
161.07111	1.2
162.05508	1.9
167.03395	0.2
171.10400	0.3
171.11725	2.1
172.07603	0.3
172.12012	0.2
176.03441	10.7
177.03746	0.6
179.10695	0.2
184.07607	0.4
186.09201	0.9
188.03448	1.5
189.04195	0.7
189.06612	0.2
189.10220	0.5
194.08154	0.6
198.09198	2.0
199.09950	2.1
200.05769	0.2
200.10361	0.2
201.11133	0.2
202.05042	0.3
209.11604	0.2
212.10751	0.4
213.06599	0.2
214.07407	0.6
214.12311	12.4
215.09370	0.2
215.12656	0.7
225.06641	0.7
226.07422	0.9
227.08197	2.6
228.08931	1.0
229.09778	5.0
229.13246	0.3
230.06976	0.2
230.09856	0.2
230.11839	4.5
231.12004	0.2
239.11858	0.5
241.07266	0.3
241.09773	8.6
242.10551	17.9
243.10841	1.3
249.06535	0.2
251.04395	0.2
251.11868	1.2
255.11290	1.0
256.11993	0.8
257.12924	86.5
258.13257	6.5
263.08337	0.3
264.08902	0.3
267.11383	0.2
274.09598	0.3
277.09634	0.3
279.11343	3.6
280.11819	0.5
283.10898	2.5
284.11179	0.2
300.11090	0.6
301.11911	100.0
302.12244	8.6
323.10361	5.8
323.14249	0.2
324.10712	0.5
339.13431	1.0
340.14233	0.2
341.11505	0.3
347.17325	0.2
383.12466	30.8
384.12814	3.6
509.21597	0.3
567.28357	0.4
569.24133	0.7
581.24109	0.2
641.26117	2.1
642.26349	0.5
685.38568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.0
63.92948	0.3
71.01254	2.6
71.57251	0.3
71.57677	0.3
73.02808	0.6
78.95750	0.5
83.01261	0.4
87.00746	0.7
89.02297	1.5
90.75809	0.3
95.01244	0.3
100.73035	0.3
101.02313	1.8
113.01587	0.3
113.02310	1.4
119.03433	0.8
125.09621	0.9
127.11165	1.9
133.04985	0.4
143.03421	0.3
145.93721	0.3
152.99471	0.6
153.09149	0.3
161.04456	1.0
171.10175	100.0
172.10522	4.6
179.05489	0.4
179.14461	0.3
195.13834	2.8
196.14449	0.4
200.41490	0.3
223.13338	2.5
228.13548	0.3
235.08191	4.0
253.09253	10.1
254.09752	0.5
275.20169	4.6
277.21655	0.6
293.21213	39.4
294.21585	2.6
407.19238	1.4
466.64627	0.3
547.50177	0.3
572.77917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00985	0.8
59.01249	10.5
61.98682	1.5
65.03867	0.7
67.01750	0.9
71.01267	2.5
71.57930	0.7
73.02811	1.7
76.05424	0.5
82.95280	0.5
83.01276	0.9
83.04896	0.7
85.02808	1.4
87.00740	1.5
89.02318	0.7
93.03320	1.4
96.95898	7.2
97.06425	0.7
99.04428	0.6
101.02340	1.3
107.04887	0.5
108.02036	1.2
108.04420	1.1
109.02824	1.6
112.97520	0.5
113.02267	0.9
115.00246	0.5
119.03485	0.5
120.04407	2.4
121.05231	2.6
122.06014	8.1
123.04416	1.0
124.01601	0.7
125.02328	0.7
132.04440	3.6
134.03720	0.6
134.06038	6.3
135.04420	2.0
135.06763	0.9
136.07590	11.7
137.02356	1.5
148.97726	0.5
149.05968	0.9
150.06775	5.8
151.03938	0.7
152.01038	1.4
153.01779	1.9
161.07132	1.3
161.81776	0.5
162.05508	1.2
162.06763	0.7
163.03893	0.7
163.07541	1.7
164.08325	1.2
165.05450	0.7
171.10298	0.6
171.11697	2.3
173.04480	1.6
176.03433	2.5
177.01784	0.7
177.09126	0.9
179.03427	0.7
179.10722	4.7
186.09097	1.2
191.05502	3.7
198.09117	1.9
199.09926	1.5
209.11742	1.6
214.07224	0.7
214.12300	12.2
215.12656	1.1
226.07393	0.9
227.08188	3.3
228.09102	1.1
229.09805	4.3
230.11833	3.8
241.09782	8.1
242.10576	17.0
243.10765	1.0
251.11964	0.6
256.12180	1.5
257.12927	82.6
258.13263	6.8
279.11572	3.4
300.11215	0.8
301.11926	100.0
302.12271	8.0
321.20819	1.0
323.10440	1.2
339.13495	1.5
347.15115	1.0
383.12482	7.2
414.18222	0.6
429.26361	1.1
431.27780	0.9
460.18420	1.0
465.28522	1.8
518.19348	0.9
519.20477	0.7
522.32257	0.9
523.32782	5.6
599.24774	0.6
617.39319	0.6
641.26111	1.8
642.26154	0.8
685.27350	0.8
685.37665	4.7
686.38776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42758	1.2
54.85472	1.5
57.03311	5.2
59.01252	6.4
71.01247	4.6
73.02804	1.8
78.95775	2.3
80.96365	1.2
85.02816	1.8
87.00741	2.7
89.02306	1.5
95.85924	1.3
95.97922	1.3
97.06466	16.5
101.02337	4.3
113.02319	3.1
123.08051	9.8
125.09604	99.3
126.09946	3.2
127.91740	1.5
161.04431	3.1
169.08563	2.2
173.19652	1.2
177.08669	1.4
178.99869	1.8
187.09676	46.8
192.16895	1.3
235.08200	2.3
253.09175	4.3
255.23262	2.9
277.21713	48.0
278.22000	5.0
405.17508	6.7
423.18906	7.6
651.24554	2.1
683.40039	100.0
684.40314	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.7
59.01246	5.3
70.25720	0.9
71.01244	7.0
72.70950	0.9
78.95779	1.1
89.02353	4.4
97.06449	11.0
101.02319	3.4
112.13393	1.0
113.02311	2.4
123.08035	7.9
125.09602	100.0
126.09913	4.0
143.10696	2.1
169.08652	2.1
172.44188	1.0
187.09674	67.2
188.09976	4.6
229.59677	0.9
252.70409	0.9
253.09250	1.8
271.99396	0.9
277.21716	14.3
278.21902	2.3
310.80234	0.9
317.62424	1.0
383.21460	0.9
405.17511	5.7
423.18674	20.8
424.18912	1.6
558.58752	1.0
590.75085	0.9
621.79596	1.0
658.16516	0.9
683.40039	78.2
684.40460	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	683.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.6
58.00468	1.5
59.01253	41.2
69.54875	6.5
69.55286	2.7
71.01254	36.2
72.99183	3.4
85.02802	6.2
87.00778	2.6
89.02314	43.1
95.01228	1.7
98.20505	2.7
101.02321	17.8
108.80530	1.3
113.02331	14.6
114.01560	1.3
119.03397	13.4
131.03447	1.3
143.03389	2.9
161.04475	3.2
179.05522	18.6
274.52686	1.4
298.98090	1.3
341.10876	100.0
342.11188	5.7
344.53204	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	681.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03457	0.9
55.01750	1.4
56.26522	0.8
57.03327	1.1
58.00459	2.0
59.01250	39.2
65.41163	0.7
68.86856	0.8
69.03326	2.3
71.01250	35.5
72.99184	2.8
73.02832	5.7
75.00780	0.8
77.45824	0.8
81.03339	1.9
83.01264	3.3
85.02814	8.0
87.00754	9.1
89.02314	33.2
90.02658	0.9
91.03870	0.9
95.01278	2.9
97.02844	6.3
99.00742	2.0
101.02320	31.8
103.00278	0.9
111.04439	1.3
113.02331	14.3
119.03368	10.4
125.02332	14.2
131.03369	2.3
139.03870	0.9
139.48427	0.8
141.01888	1.1
143.03403	6.0
161.04468	7.2
176.52585	0.9
179.05516	6.2
209.11765	3.3
221.06668	2.1
235.08203	14.1
253.09323	3.7
253.21704	5.6
263.07578	1.2
277.09177	1.2
283.26419	100.0
284.26755	7.2
287.07739	4.1
305.08719	3.9
323.09775	1.9
326.04285	1.0
397.13477	90.4
398.13864	6.2
415.14551	35.9
416.14832	2.8
652.59796	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	679.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77124	0.4
55.01727	0.7
55.64391	0.5
57.03315	0.5
58.00480	0.4
59.01250	18.9
60.01581	0.5
61.98693	0.6
69.03297	0.5
71.01257	6.9
71.56709	0.9
72.99188	0.7
73.02811	2.3
80.04160	0.4
83.01248	1.9
83.37563	0.4
85.02811	4.4
85.06455	4.3
85.99944	0.8
87.00748	0.5
89.02308	0.5
95.01265	0.7
96.95881	0.5
97.30920	0.5
99.00761	0.9
99.27669	0.4
101.02316	5.6
113.02343	2.4
171.10237	0.5
172.80641	0.5
191.05547	0.7
243.11908	0.4
276.95108	0.6
431.38940	2.7
432.38904	0.6
475.37936	11.9
476.38037	1.6
559.40131	0.5
619.42163	9.8
620.42371	1.4
637.33453	0.8
637.43268	11.8
638.43689	2.6
679.44214	100.0
680.44592	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	679.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07264	0.9
57.03314	1.1
59.01249	73.3
60.01578	4.7
61.01665	2.7
61.98696	1.3
62.59706	0.9
67.77218	0.8
71.01254	26.6
71.65385	0.8
73.02822	5.4
83.01253	2.5
85.02824	5.8
87.00751	0.9
89.02325	1.1
92.76428	0.8
93.03336	0.9
95.01254	1.5
96.95819	1.3
101.02330	8.3
111.00821	1.1
111.24704	1.0
113.02309	3.9
135.04367	1.3
142.27420	1.0
144.99489	0.9
148.09184	1.1
163.07520	1.3
191.05525	3.9
197.11720	1.0
239.62982	0.9
249.21695	1.0
253.98424	0.9
359.29572	2.1
431.31717	6.3
503.33847	2.7
521.34833	4.1
523.91223	0.9
535.32678	2.7
553.33398	3.6
554.33636	1.0
563.36011	5.0
575.35840	10.7
576.36096	1.2
593.36823	11.2
594.36902	1.3
595.35138	6.4
596.35431	1.5
635.37970	100.0
636.38330	17.4
643.66638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02839	0.3
59.01248	1.0
61.41769	0.2
71.01228	0.6
73.02799	0.4
80.04932	0.3
81.03333	7.8
83.04899	19.2
84.05225	0.5
86.07524	0.2
88.91944	0.2
93.03349	0.3
95.01314	0.2
96.95872	0.6
100.07571	0.3
101.02277	0.2
107.06033	0.2
108.04423	0.6
125.07082	1.4
126.05468	0.6
135.04405	0.4
143.08159	0.8
157.13423	0.2
161.04495	0.2
161.61865	0.2
173.04485	0.3
191.05513	0.9
199.18109	0.3
207.14944	1.5
222.15907	0.2
224.17653	3.1
225.16039	14.0
226.16257	0.5
242.18556	0.9
267.00922	0.2
268.16592	0.4
273.16672	0.2
290.22235	0.3
308.23309	0.2
309.21854	0.7
324.26532	0.8
333.23004	0.9
339.27838	0.3
341.29092	1.4
342.29376	0.2
351.23938	0.3
355.71338	0.2
367.27319	1.0
385.28082	0.6
404.19092	0.2
407.33777	0.3
433.31647	1.7
434.32272	0.2
450.34494	1.9
451.32928	6.4
452.33319	0.7
468.35941	0.2
550.43127	1.1
551.43652	0.2
559.39685	0.3
565.44763	0.5
593.43933	0.5
599.58081	0.2
606.89490	0.2
633.26208	0.2
659.48718	1.6
677.49701	100.0
678.50049	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	677.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
57.38519	0.2
59.01248	100.0
60.01580	0.8
71.01244	2.1
73.02818	0.8
78.95758	0.3
80.96406	0.3
83.01260	0.3
85.02824	1.2
87.54089	0.1
89.02345	0.2
90.39838	0.1
93.03347	0.2
95.01288	0.3
96.95908	0.6
97.02799	0.2
98.20650	0.2
99.00771	0.3
101.02324	1.3
109.02837	0.2
113.02315	0.9
114.53606	0.1
119.04954	0.2
125.02327	0.2
134.03622	0.2
135.04448	0.7
143.03412	0.2
160.00346	0.2
161.04396	0.7
171.10161	0.4
173.04463	0.2
178.02657	0.3
179.03419	0.3
189.04012	0.2
191.05653	0.5
207.05182	0.7
209.11783	0.3
219.02968	0.2
258.01212	0.2
275.20239	0.4
280.41727	0.2
290.39639	0.2
368.07709	0.2
435.27545	1.2
446.51971	0.2
453.28558	1.4
495.29575	1.1
543.87683	0.2
619.94293	0.2
635.42236	0.2
677.29230	0.5
677.43042	0.2
678.29700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77715	0.2
55.01750	1.5
57.03325	1.2
58.00467	2.0
58.13907	0.2
59.01247	40.6
60.01577	0.3
67.01765	0.3
68.99677	0.4
69.03320	2.3
71.01249	37.0
72.01595	0.5
72.99174	2.5
73.02814	5.9
75.00737	0.7
78.95795	0.5
81.03320	1.9
81.42217	0.2
83.01250	4.2
83.04910	0.3
85.02821	8.0
85.99979	0.3
87.00751	8.8
87.04402	0.4
89.02312	31.8
90.02630	0.2
90.13141	0.2
91.03883	0.7
93.03342	0.3
95.01252	2.3
97.02821	6.5
99.00760	2.3
99.04387	0.6
101.02317	28.7
102.02634	0.4
103.03905	0.3
109.02834	0.5
111.00792	0.6
111.04395	0.8
112.01547	0.2
113.02324	13.9
115.03887	0.5
119.03384	9.1
121.02834	0.6
123.00761	0.3
124.01545	0.5
125.02333	12.3
126.02689	0.5
127.03892	0.6
129.01750	0.3
131.03423	1.6
133.04950	1.0
139.03902	1.3
139.46222	0.2
141.01845	0.7
143.03386	5.3
143.04517	0.3
149.04424	0.8
151.58394	0.2
152.99551	0.3
157.04892	0.3
160.35130	0.2
161.04456	6.0
162.04829	0.2
167.03401	0.6
169.04982	0.4
171.02815	0.3
179.05527	6.3
185.04478	0.8
199.06050	0.3
203.05536	0.3
209.11673	0.3
217.07030	0.9
219.05042	0.4
221.06624	2.2
235.08185	12.9
236.08482	0.4
245.06688	0.7
253.09244	3.3
261.22128	0.8
263.07651	1.6
266.67026	0.2
273.67590	0.2
277.09348	0.8
279.23264	100.0
280.23624	7.4
287.07751	3.5
293.24844	0.4
305.08746	3.4
306.08868	0.3
312.46161	0.2
323.09708	1.5
334.58527	0.2
361.11249	0.5
379.12402	0.9
397.13464	69.4
398.13812	4.7
415.14532	30.9
416.14899	1.9
471.32245	0.3
595.28424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66589	0.3
55.01728	1.4
57.03332	1.3
58.00454	1.8
59.01248	37.8
67.01768	0.3
68.99693	0.6
69.03316	1.8
71.01250	35.0
72.01585	0.4
72.49635	0.2
72.99181	2.5
73.02816	5.3
75.00750	0.8
81.03323	1.8
83.01254	4.3
85.02823	8.0
85.99963	0.4
87.00751	8.6
89.02314	29.1
90.02621	0.4
91.03884	0.6
93.03330	0.9
95.01260	2.4
95.98393	0.3
97.02821	6.0
99.00775	2.1
99.04356	0.4
101.02315	27.6
102.02700	0.3
103.03881	0.6
109.02831	0.7
111.00771	0.8
111.04414	1.3
113.02327	13.9
114.02634	0.3
115.03897	0.5
118.99093	0.3
119.03384	9.3
119.04890	0.8
121.02879	0.5
121.91561	0.2
123.00756	0.4
123.04327	0.4
124.01574	0.4
125.02335	12.7
126.02676	0.4
127.03881	0.4
129.01833	0.4
131.03401	1.8
133.04964	0.9
135.09294	0.3
137.02380	0.3
139.03905	1.1
141.01794	0.8
143.03391	5.4
149.04463	1.0
157.04932	0.3
161.04460	6.4
163.03897	0.7
167.03415	0.8
169.04984	0.6
179.03770	0.4
179.05527	6.5
185.04503	0.7
199.06137	0.4
203.05545	0.4
217.07101	1.1
219.05142	0.5
221.06650	2.2
222.48843	0.3
235.08200	12.7
236.08513	0.4
245.06602	0.7
253.09276	3.8
259.08304	0.4
261.22223	0.3
263.07745	1.4
277.09277	1.0
277.21692	0.6
279.23270	100.0
280.23645	7.9
280.26724	0.4
283.67569	0.3
287.07690	3.1
293.24838	0.4
305.08749	4.0
311.43625	0.3
321.24530	0.3
323.09769	1.6
361.11246	0.8
379.12375	0.7
391.93188	0.3
397.13474	73.5
398.13797	4.0
415.14542	32.4
416.14752	1.7
535.27191	0.6
536.27740	0.3
536.86206	0.3
634.10345	0.3
677.36914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88633	0.4
59.01248	100.0
60.01595	1.1
65.02810	0.4
70.18616	2.0
70.18958	0.5
79.87289	0.4
89.18307	0.4
107.21225	0.5
113.02296	0.5
253.42416	0.5
255.23341	0.6
277.21817	0.6
342.57153	0.4
358.12927	0.5
415.04779	0.4
442.42325	0.5
464.01926	0.5
470.02979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22673	0.5
51.29450	0.6
53.94630	0.5
59.01250	100.0
60.01582	1.1
61.98673	0.5
69.87605	2.9
71.01288	0.6
71.94341	0.5
78.95787	1.0
80.96403	0.6
81.82658	0.5
103.90024	0.6
124.18504	0.5
277.21786	1.0
291.19763	0.9
309.20850	0.7
345.91742	0.6
385.55960	0.5
470.09897	0.6
555.28528	0.8
675.37854	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	675.411
Annotation	Rubianoside I
Peak:m/z	Relative Intensity
54.46587	0.3
55.01762	1.0
57.03328	2.6
58.00457	0.5
59.01250	35.6
60.99130	0.4
61.98705	0.6
69.03336	0.7
69.85712	2.5
71.01254	24.3
72.01083	0.4
72.01566	0.5
72.99188	0.9
73.02818	36.5
74.03143	0.6
78.95797	0.6
82.29606	0.4
83.01257	8.4
83.67464	0.3
85.02825	2.3
87.00755	0.9
89.02327	3.0
95.01292	0.3
97.02840	0.9
99.00790	0.8
101.02321	17.8
105.93988	0.4
113.02338	3.8
125.02308	1.0
131.03329	0.7
135.04460	0.4
143.03351	0.8
155.03365	0.8
161.04457	1.1
163.76563	0.4
173.04436	0.6
185.74577	0.4
185.84334	0.4
193.34773	0.4
306.97375	0.4
425.33920	0.4
453.33710	1.2
471.34766	51.4
472.29105	0.7
472.35172	7.5
598.52783	0.4
615.39069	0.5
633.40131	0.8
675.41119	100.0
676.41461	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99224	0.2
52.09752	0.2
55.01755	1.7
57.03324	1.5
58.00466	2.4
59.01250	50.3
60.01590	0.5
61.98703	0.3
67.01753	0.3
68.99667	0.4
69.03322	2.3
70.24168	0.2
71.01252	42.2
72.01575	0.7
72.99183	3.1
73.02819	6.7
75.00753	1.1
80.96368	0.4
81.03328	1.8
83.01253	5.0
83.04900	0.5
85.02420	0.1
85.02821	8.8
85.99971	0.6
87.00749	9.6
87.04374	0.2
89.02314	35.8
90.02645	0.5
90.21419	0.2
91.03885	0.7
93.03335	0.5
95.01271	2.5
95.04887	0.4
97.02831	7.3
98.19730	0.5
99.00742	2.4
99.04404	0.7
101.02319	34.1
102.02645	0.6
103.00269	0.3
103.03886	0.5
107.04911	0.2
109.02832	0.7
111.00742	0.6
111.04384	1.3
113.02328	16.8
114.02660	0.5
115.03893	0.8
119.03384	11.9
120.03646	0.2
121.02830	0.7
123.00763	0.5
123.04399	0.4
124.01521	0.5
125.02335	14.6
126.02702	0.4
127.03937	0.5
127.07523	0.3
129.01755	0.4
131.03397	1.9
133.04942	1.3
137.02377	0.3
139.03900	1.2
141.01855	0.7
143.03398	7.4
149.04477	1.2
151.03903	0.3
155.03439	0.2
157.04984	0.4
161.04465	8.3
161.05817	0.4
167.03387	1.1
169.05013	0.6
171.02855	0.4
179.05534	7.2
180.05943	0.2
185.04550	0.6
199.06059	0.6
203.05464	0.4
205.19531	0.2
217.07069	1.0
219.05013	0.4
221.06601	2.8
227.05615	0.3
229.19432	0.2
233.22673	0.5
235.08180	15.8
236.08463	0.6
245.06712	1.1
253.09221	4.8
259.20743	0.4
263.07669	1.9
275.19894	0.3
277.09631	1.2
277.21707	100.0
278.18973	0.4
278.22049	8.6
287.07761	3.1
291.23267	0.4
305.08752	3.7
323.09824	1.9
361.11392	0.8
379.12393	1.3
397.13480	80.4
398.13785	6.8
415.14563	34.8
416.14871	2.9
420.07037	0.3
577.26849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29465	0.1
55.01758	1.9
57.03313	1.2
58.00463	2.4
59.01248	49.6
60.01571	0.5
60.99170	0.2
67.01756	0.4
68.99681	0.6
69.03323	2.3
71.01250	43.4
71.04880	0.2
72.01596	0.4
72.99172	3.4
73.02813	6.5
74.21505	0.2
75.00731	1.2
77.14235	0.1
78.95782	0.3
81.03333	1.7
81.15122	0.1
83.01252	5.4
83.04898	0.5
85.02820	9.2
85.99969	0.3
87.00747	11.4
87.04379	0.3
88.01128	0.2
89.02312	36.0
90.02657	0.5
91.03893	0.8
93.03349	0.6
95.01263	3.3
95.04919	0.1
97.02821	7.2
99.00747	2.8
99.04398	0.6
101.02318	35.1
102.02671	0.8
103.00269	0.3
103.03884	0.4
109.02849	0.7
111.00779	0.6
111.04397	1.4
112.01502	0.2
113.02325	17.2
114.02669	0.3
115.03881	1.0
118.91788	0.1
119.03381	11.0
120.03715	0.2
121.02857	0.8
123.00788	0.4
123.04433	0.5
124.01548	0.5
125.02332	13.5
126.02711	0.4
127.03902	0.6
128.06480	0.1
129.01820	0.2
131.03386	2.2
133.04967	1.2
137.02359	0.4
139.03891	1.2
141.01825	0.8
141.05417	0.2
142.02611	0.3
143.03398	7.2
144.03772	0.2
145.04962	0.2
149.02335	0.4
149.04431	1.2
150.72546	0.1
151.03920	0.2
152.99500	0.3
155.03383	0.2
157.04953	0.4
161.04465	7.9
162.04884	0.3
167.03474	0.8
169.04971	0.6
171.02843	0.4
175.52800	0.1
179.05525	7.6
180.05804	0.1
185.04475	1.1
199.06039	0.6
203.05522	0.5
209.04568	0.2
217.07091	1.3
219.05046	0.5
221.06575	2.7
227.05595	0.3
233.22685	0.4
235.08183	15.7
236.08493	0.7
245.06615	1.0
253.09233	4.3
259.20554	0.5
263.07678	1.9
275.20200	0.5
277.09561	1.2
277.21695	100.0
278.22058	8.2
287.07703	3.9
291.23334	0.7
295.10269	0.2
305.08765	3.9
319.22748	0.2
323.09808	2.2
337.11182	0.2
361.11472	0.7
379.12372	1.1
397.13461	80.0
398.13779	5.8
415.14536	35.1
416.14819	2.6
593.27332	0.3
675.35602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48998	1.9
59.01252	41.8
60.01591	1.8
61.98696	2.5
67.01753	2.1
69.22990	16.4
69.23410	4.4
71.01257	13.8
72.02811	1.6
73.02804	4.9
78.95778	5.6
79.95583	2.3
83.04870	3.0
85.02817	5.2
87.00740	4.3
89.02293	5.4
93.03340	4.7
96.48626	1.8
96.95895	20.5
97.02824	4.4
101.02320	8.7
109.06458	16.6
113.02302	4.4
119.03363	2.9
121.06458	1.8
125.02321	2.5
125.09606	1.9
127.11222	2.0
129.01857	2.1
134.20700	1.9
135.04436	2.6
141.01624	4.0
147.78766	1.7
150.03995	1.7
161.04424	3.9
163.11212	10.8
165.12628	2.2
169.12231	4.3
171.10176	100.0
172.10495	2.6
173.04428	5.2
181.12245	2.4
185.11708	2.1
189.09111	2.0
191.05518	12.0
197.11754	37.9
207.05019	2.5
207.08322	3.5
207.10191	49.6
209.11769	48.9
210.12140	9.2
215.45583	1.7
223.06143	1.8
225.11290	21.3
226.11580	2.1
227.12900	11.7
228.13152	2.7
235.08141	4.4
253.09251	15.8
254.09358	2.1
257.12857	2.6
276.75818	2.1
315.61667	1.9
361.20276	2.2
366.16327	2.1
407.19058	3.6
419.97159	2.2
461.20126	8.2
581.24078	3.5
593.26263	6.8
597.29315	7.4
599.24829	4.1
615.30365	18.8
616.30469	2.9
621.33301	4.2
639.33228	3.8
675.31274	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73907	2.4
59.01251	37.7
60.55749	2.6
61.98696	7.5
71.01257	18.6
72.18633	2.4
73.02805	5.1
77.71960	2.5
78.95757	3.7
79.95600	4.9
80.04921	7.9
81.03317	5.5
83.01265	5.8
83.04892	11.2
85.02816	11.8
87.00726	8.2
87.07515	3.3
89.02309	4.3
93.03323	9.5
93.14653	2.7
96.95894	74.6
98.02343	4.7
99.00760	4.3
100.83681	2.6
101.02305	10.7
106.06486	7.8
107.03644	5.2
108.04417	11.9
108.08051	9.1
109.02831	4.7
110.02338	12.4
111.04427	13.4
113.02307	8.0
119.04897	6.8
120.04427	3.8
120.08057	8.8
122.06012	42.5
125.02268	3.3
127.03851	3.7
132.04446	4.7
134.06000	12.4
135.04370	13.9
136.03897	6.8
136.07605	4.1
137.02345	5.3
137.05812	2.9
148.03940	5.6
150.04335	4.0
150.05501	31.7
152.03400	9.7
152.07071	49.8
154.04973	4.2
160.03937	3.5
161.04530	7.3
162.05437	2.8
163.03874	5.3
163.11160	3.3
168.06540	7.9
169.12250	2.9
171.10172	6.4
173.04489	10.5
174.05537	5.5
176.03413	4.9
177.01868	4.2
177.56883	2.7
179.03384	9.1
185.11752	3.9
190.04976	6.8
191.05534	21.2
200.49504	2.9
201.10756	2.9
207.05064	10.3
209.08661	3.4
209.11772	90.4
210.12123	25.2
211.12216	8.0
213.10356	6.4
224.09428	5.0
227.12956	19.3
228.13129	10.5
229.09726	5.7
229.14513	46.6
237.10234	5.9
239.11859	8.0
240.08879	2.9
243.11130	7.1
253.09325	16.3
255.11459	17.3
257.12976	5.9
264.08966	3.9
265.09940	2.7
267.11243	5.7
271.02362	5.2
272.02652	4.3
273.12393	10.4
279.11310	6.2
281.12836	3.4
283.10861	26.5
285.12369	13.1
295.10785	7.9
297.12372	4.3
300.02835	7.3
301.03207	7.9
301.11865	22.5
302.03317	3.9
303.13535	6.9
313.12106	6.3
315.13483	6.8
319.13007	29.6
325.11829	12.2
326.12396	4.5
327.09763	4.8
335.47998	3.0
355.12924	8.8
358.11652	3.3
359.11984	3.8
374.14896	11.0
388.16565	9.4
392.16162	5.8
400.13004	2.8
416.16077	12.9
434.17438	6.2
477.18753	5.4
534.18750	5.9
555.26001	3.5
557.24432	18.7
558.24048	4.9
575.24982	3.9
581.23755	10.9
583.21936	4.1
599.25104	43.1
600.25037	8.5
625.22986	10.4
643.24072	57.0
644.24274	11.5
657.24396	6.2
675.26495	100.0
675.37036	5.2
676.26971	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	675.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	42.3
61.69391	1.7
61.98704	9.3
69.25349	3.2
69.25749	15.5
71.01254	14.5
72.70174	1.7
74.11694	1.5
78.95778	2.9
78.98450	7.6
79.95605	10.0
80.96389	52.6
85.02816	6.0
85.35015	1.7
87.00737	3.1
89.02319	5.6
94.97958	20.5
96.95863	3.5
97.02805	2.1
101.02357	8.7
106.97968	5.0
113.02335	4.3
119.03337	2.3
122.97512	8.6
125.02337	5.2
134.97453	4.4
136.92166	3.8
136.98990	2.1
148.99057	5.9
152.98538	5.5
158.61331	1.6
161.04510	2.0
164.98543	17.9
178.93242	19.8
179.05647	2.0
182.99599	2.5
193.99678	1.8
206.99763	3.8
209.11682	2.0
210.95865	3.8
220.94296	7.3
225.00706	20.5
225.11310	2.1
243.01697	3.3
250.95636	3.3
277.21716	21.0
299.04300	2.4
351.18628	3.1
397.01166	19.2
397.13382	13.1
415.02155	15.2
415.14542	5.9
439.14511	6.6
577.26801	100.0
578.27130	14.6
615.21515	17.4
616.21606	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	675.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57475	0.5
69.47765	4.7
70.36112	0.6
71.92297	0.6
85.02818	6.4
87.00746	1.9
90.26988	0.6
93.03344	3.5
96.95873	1.1
98.19814	1.2
110.29645	0.6
111.04391	0.6
119.04959	0.8
125.82917	0.6
127.03932	1.0
145.02884	0.7
163.03923	1.0
172.07610	0.6
173.04367	1.4
191.05550	100.0
192.05859	3.4
206.38350	0.7
217.58882	0.7
246.33946	0.6
305.10437	0.7
337.09271	20.7
338.09598	1.1
587.32153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06926	0.8
55.84316	0.8
55.89611	0.8
64.41499	0.8
69.80859	5.0
81.03374	0.8
83.04858	1.1
85.02821	5.0
87.00773	1.6
93.03325	5.6
96.95889	1.6
111.04402	3.8
119.04909	67.5
120.05290	2.5
127.03875	2.5
155.03375	2.8
163.03906	100.0
164.04247	3.3
173.04466	4.8
191.05528	58.4
192.05846	2.3
217.68736	1.0
267.68042	0.9
307.67740	0.8
337.09265	60.6
338.09558	5.3
429.40976	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	675.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40009	0.4
57.03341	0.6
59.01244	1.6
60.99167	1.3
63.55175	0.4
67.01759	4.6
69.03324	1.2
71.01251	2.9
71.39659	0.5
80.28568	0.4
81.03358	1.0
83.01215	0.5
83.04906	0.7
85.02818	5.4
87.00761	4.4
93.03333	27.8
94.03686	0.7
96.95888	1.0
99.00797	0.6
103.08119	0.4
109.02853	1.5
111.00741	0.7
111.04395	5.7
113.02399	0.5
119.04914	15.9
120.05281	0.5
127.03910	1.4
137.02356	2.0
145.02878	1.5
155.03419	3.6
163.03914	14.5
164.04231	0.6
171.44893	0.4
173.04465	81.1
174.04839	3.0
191.05530	100.0
192.05881	3.1
209.77101	0.4
250.22923	0.5
285.09436	0.5
337.09265	55.7
338.09637	4.0
501.14374	0.5
675.19281	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	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.7
57.03328	2.5
58.00471	2.1
59.01250	57.2
61.98700	4.6
63.01245	1.3
68.99678	1.2
69.03326	2.3
71.01252	52.2
71.56985	1.2
71.57475	1.6
72.99184	5.2
73.02817	8.8
75.00725	1.4
78.95782	2.9
81.03324	2.6
83.01254	9.4
83.04889	2.6
85.02825	10.1
87.00748	10.6
89.02319	36.8
93.03310	1.2
94.14427	1.1
95.01285	3.3
97.02830	6.2
99.00772	3.4
101.02322	46.8
101.02998	2.4
102.02733	1.2
109.02844	1.9
113.02330	23.4
115.03986	1.2
117.67113	1.1
119.03385	13.3
125.02322	13.6
130.70879	1.1
131.03421	2.3
133.04985	1.8
135.07961	1.2
135.10339	1.2
139.72006	1.4
143.03375	7.5
161.04446	13.8
163.11288	1.8
173.04427	2.5
179.05515	8.2
191.05563	1.9
199.13341	1.8
207.10242	2.7
209.11754	29.6
210.12111	2.6
211.13353	3.9
217.07005	1.3
221.06619	2.4
225.11282	1.8
227.12907	5.5
231.21164	5.9
235.08203	17.2
244.90833	1.1
245.06502	1.4
253.09267	14.5
263.07803	1.9
275.20139	100.0
276.20572	7.9
287.07733	3.1
303.42133	1.2
305.08704	2.6
323.09802	2.6
397.13501	98.2
398.13977	6.0
400.26740	1.2
415.14597	47.1
416.14896	4.0
602.15997	2.3
673.34015	2.0
695.10400	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	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.3
59.01250	2.5
70.13828	0.6
70.14235	0.3
71.01245	1.8
73.02814	0.4
76.69667	0.2
80.02541	1.2
81.03331	1.6
83.01264	0.5
83.04896	5.5
84.02028	0.9
84.05239	0.1
85.02823	0.5
87.00737	0.4
89.02319	1.2
93.03319	0.3
93.57681	0.2
95.01273	0.2
95.04888	0.6
97.02806	0.2
97.06451	0.3
98.20469	0.2
101.02322	1.9
109.06513	0.3
113.02329	0.8
119.03360	0.2
125.05954	0.5
125.09589	0.5
130.62764	0.2
135.08029	0.7
137.09550	0.2
145.04959	0.3
147.11700	0.2
161.04460	0.6
163.11195	3.8
163.12480	0.3
165.12746	2.4
171.10179	2.5
179.05440	0.3
181.12233	0.6
191.05479	0.2
191.10767	1.0
199.13368	0.2
209.11769	100.0
210.12111	6.2
221.11719	0.4
227.12837	12.2
228.13202	0.8
235.08199	1.3
244.66133	0.2
247.13373	1.4
247.18007	0.2
249.15150	0.2
253.09267	5.2
265.14438	0.4
289.21582	0.2
318.07062	0.2
320.23184	0.2
386.50070	0.2
393.22772	0.2
401.23230	0.6
419.24188	0.4
445.20654	0.6
470.92334	0.2
523.08014	0.2
611.30914	0.3
637.31982	0.6
655.33893	0.3
703.96466	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	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07900	0.2
50.45994	0.2
55.08522	0.2
57.03332	0.3
58.00484	0.2
59.01251	2.0
71.01245	1.5
71.44728	0.5
73.02822	0.4
80.02548	0.9
81.03337	0.8
83.01265	0.3
83.04890	4.6
84.02029	0.7
85.02837	0.5
87.00744	0.4
89.02310	1.0
93.03310	0.3
95.04911	0.8
97.02805	0.3
101.02305	1.7
113.02314	0.4
119.03376	0.3
120.81506	0.2
125.05937	0.4
125.09644	0.2
126.30320	0.2
135.08051	0.4
145.04919	0.3
147.11707	0.3
161.04454	0.4
163.11185	3.5
165.12749	2.0
171.10197	2.7
181.12189	0.4
191.10803	1.1
205.12630	0.2
209.11766	100.0
210.12111	5.9
221.11830	0.4
223.09293	0.2
227.12842	13.7
228.13181	1.0
228.42250	0.3
235.08182	1.5
247.13388	1.3
253.09251	5.1
254.09616	0.3
265.14499	0.4
401.23111	0.4
419.23904	0.3
445.20840	0.9
611.30621	0.3
637.32037	0.9
638.32092	0.3
696.42316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4013
Annotation	Guineamide D
Peak:m/z	Relative Intensity
50.93956	0.5
56.57553	0.5
59.01253	6.5
61.98690	0.5
69.03327	0.7
71.01250	3.5
71.04897	0.6
73.02824	1.2
75.00723	0.5
78.10825	0.4
78.95768	0.6
80.02555	0.5
80.08326	0.5
81.03335	1.0
83.04882	1.7
84.02040	0.8
85.02824	2.2
87.39897	0.5
89.02309	1.7
93.03316	1.0
95.04902	0.6
96.95887	1.5
97.02811	1.1
97.06488	0.7
97.95405	0.5
98.20020	2.8
99.00746	0.9
99.04369	0.7
101.02297	2.4
109.02833	0.5
109.06466	4.8
111.04418	1.2
113.02316	2.0
121.02874	0.7
123.08056	0.9
125.02313	0.7
125.09563	0.9
135.04373	1.1
135.08049	3.0
136.05220	1.5
137.05968	0.8
137.09697	0.5
138.06731	0.6
146.37666	0.5
149.05988	2.2
150.06766	62.1
151.07130	2.0
155.10677	0.7
156.00917	0.5
161.04517	1.0
161.09648	1.1
162.06805	1.1
163.07559	8.0
163.11198	4.7
164.08340	15.9
165.08842	0.5
165.12755	0.9
169.12227	0.9
171.10170	2.6
173.04483	1.3
174.01654	0.6
176.08359	0.6
177.09129	1.2
178.02547	0.8
178.09877	1.8
179.03601	0.4
179.10699	31.1
180.11024	1.5
181.12262	1.2
185.11806	1.4
189.09097	1.2
191.05588	2.7
199.13210	0.5
207.10193	13.5
209.11771	30.0
210.12184	1.6
215.12840	0.7
225.11290	10.6
226.11609	0.6
227.12872	5.4
235.08191	0.9
253.09239	3.7
300.02716	0.8
311.22263	1.9
327.21829	1.0
327.25421	1.2
328.06067	0.6
329.23303	23.8
330.23700	1.9
373.23856	0.5
399.21619	0.6
415.45963	0.6
457.28506	0.6
461.20300	2.6
473.32455	0.8
490.32767	0.9
491.33783	6.1
494.32431	3.0
508.34045	6.9
509.34784	37.1
510.35361	4.1
523.36682	0.8
551.36145	1.6
611.37872	0.7
635.31152	1.0
653.31543	2.9
654.32117	0.6
671.40234	100.0
672.40637	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	669.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00949	1.6
59.01247	23.8
61.98693	0.9
69.26714	4.5
69.27133	2.2
69.43427	0.7
71.01254	3.6
71.04896	0.7
72.99175	1.1
73.02810	1.7
74.02950	0.7
78.95767	1.3
85.02835	2.0
86.94680	0.6
87.56684	0.7
89.02309	1.8
93.03315	1.0
96.95870	2.6
99.04417	0.7
101.02310	3.3
106.06512	2.9
109.02821	1.1
109.06501	1.2
111.04353	1.2
113.02313	2.8
120.04436	1.2
120.08068	2.7
121.05216	2.7
122.06007	14.2
123.06384	1.0
123.07995	1.0
132.04434	2.6
133.86601	0.6
134.06001	8.6
135.04419	0.8
135.08029	2.0
136.05191	1.0
137.02354	1.1
137.05992	0.9
139.11211	1.6
141.25528	0.7
148.07550	0.9
149.05986	3.0
150.06764	57.3
151.07242	2.5
155.10690	1.1
160.06310	6.6
161.04492	0.9
161.09644	1.5
162.06793	1.2
163.07535	7.2
163.11227	1.5
164.08340	17.8
165.08949	0.8
171.10168	2.8
177.09154	1.3
178.09921	1.0
179.10686	35.9
180.11020	1.7
185.11732	5.3
191.05516	1.3
197.07065	1.2
198.12857	1.5
207.10229	5.6
209.11732	4.9
211.08681	1.0
213.10263	33.6
214.10600	2.5
214.12347	1.2
225.11137	5.2
226.10939	3.3
239.11871	7.8
241.13423	19.1
242.13715	1.9
251.11911	2.4
253.09354	1.0
267.11456	2.0
267.15024	6.2
269.12857	2.0
279.11380	9.1
285.12445	78.8
286.12729	7.8
309.20801	0.9
321.20767	1.0
327.21756	23.9
328.21982	2.3
329.14966	1.0
339.13403	9.0
340.13715	1.2
358.15561	1.7
371.16422	0.9
393.43774	0.8
489.25574	1.0
489.32074	5.6
492.31125	2.3
506.32574	5.3
507.33224	41.1
508.33746	4.7
521.25488	2.8
521.34674	1.1
549.34564	1.4
553.24786	1.3
565.24506	16.4
566.24854	2.6
581.18964	0.8
581.27002	3.9
583.25891	1.3
609.36414	1.2
625.26605	47.1
626.26788	10.3
651.29712	2.1
669.38635	100.0
670.38953	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	669.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74036	0.2
52.82105	0.2
53.15381	0.3
57.03308	0.7
58.00466	0.3
59.01247	4.8
63.84521	0.3
64.80044	0.2
69.03325	1.0
71.01250	4.4
71.04865	0.8
72.99178	0.7
73.02809	0.7
73.06036	0.2
78.95762	0.3
80.02541	1.0
81.03312	1.0
83.01248	0.6
83.04897	4.5
84.02008	0.7
85.02810	0.9
87.00738	0.8
88.98666	0.5
89.02314	2.3
93.03314	0.4
95.01220	0.3
95.04894	0.9
97.06409	0.3
98.20487	0.5
99.00742	0.4
101.02324	3.0
101.02979	0.4
105.33079	0.2
107.04935	0.3
109.06495	1.4
111.04398	0.5
111.08031	0.2
113.02309	2.0
119.03371	0.7
125.02374	0.3
125.05958	0.5
125.09586	0.7
135.07983	0.8
141.01543	0.6
143.03406	0.4
145.04948	0.5
149.09581	0.4
161.04498	1.5
161.09532	0.3
163.11192	4.2
165.12808	1.7
167.10641	1.8
169.12239	0.7
171.10147	2.9
177.12735	0.3
178.99832	0.4
179.05527	0.5
179.10674	0.9
179.14340	1.8
181.12332	0.6
185.11847	0.3
191.05635	0.3
191.10626	0.8
195.13826	5.9
196.14067	0.3
197.11754	0.8
199.09782	0.3
205.08452	0.4
205.12271	6.2
206.12837	0.2
207.10094	1.3
209.11761	100.0
210.12109	5.5
223.13339	65.4
224.13623	3.3
225.11285	1.2
227.12830	14.7
228.13100	0.7
235.08138	2.8
253.09251	9.1
254.09534	0.4
261.14911	2.4
397.23804	0.3
415.25024	0.7
433.26508	0.4
441.20978	0.6
445.20828	1.4
459.22482	4.6
460.22638	0.7
633.32916	1.2
651.31512	1.3
669.30573	2.0
670.32098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.7
61.98700	0.8
62.00302	0.5
69.46057	1.9
69.46454	3.6
71.01253	15.1
71.87813	0.6
73.02805	2.8
83.01255	1.6
85.02821	4.1
87.00719	0.8
89.02302	1.0
93.03336	36.9
95.01288	1.4
96.95882	2.8
96.99194	1.7
99.00748	0.9
101.02311	6.7
108.02022	2.6
109.02844	4.5
111.00685	0.7
113.02322	3.4
115.00272	6.5
116.92760	0.7
119.04934	1.6
121.02812	3.6
122.03644	3.7
123.00681	0.7
123.04367	1.4
124.01515	3.6
125.02323	0.6
133.02852	9.8
134.03648	3.3
135.04370	1.6
136.01546	2.3
136.05164	0.7
137.02341	64.8
138.02684	1.9
146.03595	0.8
147.04417	10.4
148.05176	3.5
151.00162	0.8
151.03903	1.3
152.01004	0.8
159.04391	1.2
160.05180	2.3
161.02379	0.7
161.04424	0.7
161.05907	2.5
162.06740	0.8
163.03871	1.5
173.04451	0.9
175.07523	1.3
178.02621	0.9
179.03394	1.0
191.03447	1.7
191.05511	3.5
193.04948	1.4
213.05551	2.5
221.04327	0.8
227.07219	0.8
233.12354	0.6
240.04248	2.5
241.05032	12.7
241.07710	0.8
241.08641	1.2
242.05397	1.8
251.07112	1.3
252.07762	1.9
253.04973	1.8
254.05917	1.7
255.06610	2.3
256.07382	9.8
257.07870	1.0
267.06519	1.1
268.07376	6.1
269.08167	11.3
270.08698	2.3
271.09766	5.8
272.06830	2.0
272.09659	0.7
281.06650	35.5
282.06870	1.9
283.09747	7.7
284.10513	21.5
285.11096	4.2
297.11282	2.7
299.09711	1.2
299.12823	6.3
300.02655	1.1
301.03329	0.9
310.08734	0.8
324.63672	0.8
351.16556	0.7
411.20486	0.8
475.12714	0.8
515.11218	1.0
553.17236	6.7
625.18994	2.4
669.18207	100.0
670.18396	17.9
670.28687	1.1
685.44403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10109	0.5
57.03315	0.5
59.01249	5.2
61.98680	0.8
63.02255	1.0
65.00188	2.3
68.99642	0.6
69.53069	4.3
71.01250	3.4
73.02819	1.7
73.69825	0.5
78.95770	1.1
83.01254	2.1
83.04864	0.6
85.02829	1.3
87.00749	1.0
87.04382	1.8
89.02305	1.2
93.03352	3.2
96.95894	3.5
98.19792	1.1
101.02304	1.7
107.01266	3.7
108.02059	1.1
109.02827	2.4
113.02303	1.3
115.73293	0.6
115.82671	0.6
119.04912	34.8
121.02832	2.7
125.02309	1.2
134.03629	0.9
134.05978	0.8
135.04416	1.4
137.02333	1.8
137.09618	0.8
139.03824	0.7
145.02846	1.3
148.01608	1.1
151.00269	15.3
152.00853	0.7
153.01807	2.0
155.10661	5.3
159.49432	0.5
161.04535	0.6
163.00215	1.8
163.03917	22.0
164.01039	0.8
169.01436	1.0
173.04404	1.2
178.99780	9.3
179.03354	0.7
181.08513	0.8
191.05508	4.1
195.10211	1.0
199.03996	0.8
199.09734	3.8
211.03868	0.9
226.02634	0.6
227.03386	1.9
229.04980	0.7
234.90971	0.5
236.24641	0.6
237.07697	0.9
239.03485	0.6
241.10678	1.6
243.02948	8.1
244.03305	0.6
245.04486	1.0
254.02142	1.2
255.02956	22.8
255.12221	0.6
256.03326	2.2
271.02472	49.1
272.02988	4.9
273.04062	1.6
283.02460	0.8
283.11862	1.5
285.12399	0.9
299.01932	5.0
300.02744	100.0
301.03473	52.8
301.91928	0.5
302.03830	3.6
313.03619	3.1
343.13995	2.2
375.27377	0.6
447.07172	14.6
448.07501	2.0
463.08807	4.7
465.08218	10.1
505.09860	76.0
506.10141	8.4
507.18726	15.8
508.18933	1.2
549.19238	1.6
669.14355	4.6
669.24762	0.7
670.14862	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	667.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	4.1
59.01250	58.2
60.04194	2.0
61.67063	2.0
61.98701	8.5
71.01255	40.3
71.58607	4.4
72.99181	2.9
73.02808	8.2
75.00755	3.2
78.95746	5.9
83.01246	4.5
85.02821	9.8
86.32602	2.8
87.00742	12.6
88.98675	5.7
89.02309	26.2
93.03307	3.5
95.01274	5.0
96.95901	10.9
97.02816	6.8
99.00755	4.2
101.02306	26.4
108.02068	2.6
109.02832	7.7
113.02328	15.4
116.92815	2.4
119.03360	7.4
121.02779	3.2
125.02357	11.2
125.09591	5.6
133.02817	3.3
135.04385	6.9
135.08046	4.8
137.02222	3.3
152.99541	2.8
153.01784	11.3
161.04463	6.7
163.60307	2.3
167.03389	2.6
168.00545	2.1
171.10205	3.6
173.04466	6.7
178.99800	3.1
179.03343	2.6
179.05521	8.3
179.10687	2.9
191.05531	11.7
209.11768	96.3
210.12128	6.1
235.07997	11.4
252.36937	2.6
253.09425	3.1
269.09088	2.5
287.07462	4.0
305.08862	4.2
397.13507	100.0
398.13766	9.7
415.14554	33.5
463.23233	2.8
607.26062	5.5
667.37476	7.2
694.02576	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27934	1.3
59.01250	52.5
61.98692	1.6
62.30472	1.5
71.01247	3.1
71.15346	2.2
78.95763	4.9
80.04911	2.2
85.02834	2.3
96.95867	3.2
101.02303	1.8
103.00256	3.2
103.78278	1.3
106.06491	17.8
107.03675	1.6
109.02890	1.4
109.06449	1.9
111.63560	1.3
113.02348	2.4
113.03190	1.4
122.06001	10.5
129.66719	1.5
134.06010	79.7
136.48103	1.4
143.20628	1.4
146.06001	2.3
146.19383	1.4
152.07068	10.9
171.00566	1.6
173.04449	2.0
183.22736	1.4
191.05640	3.3
194.08235	1.6
195.13733	1.5
207.10114	3.3
212.44998	1.4
223.13292	6.7
225.11359	8.3
235.08492	1.7
237.10384	2.1
239.11813	9.6
249.10387	2.9
263.12051	2.2
265.13449	19.4
328.10727	7.1
330.16058	2.2
340.10785	4.0
341.11633	3.0
342.12469	7.8
342.15988	1.9
343.13199	3.0
344.13940	2.2
352.14423	1.9
354.12457	2.8
355.13171	3.1
356.14014	8.9
357.14822	11.8
368.13995	4.0
369.14868	2.6
370.15475	2.5
371.16217	5.6
372.17172	47.7
373.17188	3.6
382.15637	2.0
384.17175	15.9
385.17209	1.9
398.18829	4.0
447.18625	1.8
461.20193	1.8
475.17667	2.4
476.22357	1.8
489.19266	3.3
491.24496	3.8
497.79883	1.7
504.21750	8.3
519.23993	45.6
520.24261	5.8
537.24353	2.8
563.23236	7.4
579.26062	52.3
580.26636	9.4
581.23944	4.8
605.23535	2.1
623.25061	100.0
624.25104	16.7
667.40741	3.5
668.38800	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	667.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	1.1
63.02261	1.5
65.00197	3.5
71.01265	0.5
71.11801	0.8
72.67595	0.3
77.62003	0.3
78.10404	0.3
83.00796	0.3
83.01244	1.6
83.95609	0.3
85.02808	0.4
86.93900	0.3
87.04444	0.3
93.03320	1.0
96.95898	2.1
101.02284	0.4
107.01266	6.8
108.02058	1.2
109.02814	0.9
110.31469	0.3
121.02846	4.7
125.02335	0.4
132.99149	0.3
135.00763	0.4
135.04407	0.4
137.02354	0.4
146.42563	0.3
148.01601	1.0
149.02350	0.8
151.00269	27.7
152.00618	1.0
159.04401	0.3
161.02316	0.5
163.00256	1.7
163.03859	0.5
164.01071	0.5
165.01859	0.4
169.01297	2.8
175.03909	0.4
178.98184	0.7
178.99773	12.3
179.03563	0.7
180.00063	0.6
187.03847	0.4
191.05510	0.9
192.00470	0.4
193.01402	0.5
199.03915	1.2
201.01833	0.4
203.03522	0.4
209.11749	0.6
211.03943	1.0
215.03452	0.5
226.02606	0.9
227.03432	2.9
228.04120	0.4
229.04945	1.0
239.03307	0.4
243.02962	8.3
244.03377	0.7
245.04497	1.3
254.02135	0.9
255.02956	20.2
256.00916	0.3
256.03339	1.3
257.04340	0.5
267.38846	0.4
271.02457	48.6
272.02924	4.3
273.04059	2.0
283.02420	0.9
297.04022	0.3
299.01950	11.0
300.02725	91.2
301.03482	100.0
302.03867	6.6
305.10922	0.3
343.04391	0.7
397.13794	0.6
462.08426	0.5
463.08786	16.7
464.09174	1.8
504.09375	0.3
505.09860	90.3
506.10196	10.7
567.90692	0.3
666.40497	2.1
667.15045	7.0
667.25690	0.6
667.40778	1.1
668.15533	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	667.1513
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
56.36305	0.6
65.00194	0.9
69.54954	3.6
83.01255	1.1
96.95889	1.8
97.26389	0.6
98.19812	1.4
107.01280	1.5
109.02841	1.0
146.40527	0.6
149.02368	0.8
151.00293	5.1
163.00279	0.6
175.04016	0.8
178.99823	0.9
191.05624	0.6
199.03893	3.2
203.03276	0.8
215.03450	1.8
226.02692	0.9
227.03404	3.8
243.02992	5.3
254.02296	0.6
255.03015	2.1
271.02469	56.3
272.02795	3.4
299.01956	100.0
300.02545	15.3
301.03510	25.9
302.03955	1.0
313.03683	1.3
315.06497	0.6
343.04727	1.0
462.08005	30.3
463.08762	12.8
464.09106	1.0
488.20465	0.7
505.09830	19.0
506.10303	2.3
547.10632	0.9
625.14117	2.3
667.15149	69.9
668.15570	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	667.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	1.1
63.02261	1.5
65.00197	3.5
71.01265	0.5
71.11801	0.8
72.67595	0.3
77.62003	0.3
78.10404	0.3
83.00796	0.3
83.01244	1.6
83.95609	0.3
85.02808	0.4
86.93900	0.3
87.04444	0.3
93.03320	1.0
96.95898	2.1
101.02284	0.4
107.01266	6.8
108.02058	1.2
109.02814	0.9
110.31469	0.3
121.02846	4.7
125.02335	0.4
132.99149	0.3
135.00763	0.4
135.04407	0.4
137.02354	0.4
146.42563	0.3
148.01601	1.0
149.02350	0.8
151.00269	27.7
152.00618	1.0
159.04401	0.3
161.02316	0.5
163.00256	1.7
163.03859	0.5
164.01071	0.5
165.01859	0.4
169.01297	2.8
175.03909	0.4
178.98184	0.7
178.99773	12.3
179.03563	0.7
180.00063	0.6
187.03847	0.4
191.05510	0.9
192.00470	0.4
193.01402	0.5
199.03915	1.2
201.01833	0.4
203.03522	0.4
209.11749	0.6
211.03943	1.0
215.03452	0.5
226.02606	0.9
227.03432	2.9
228.04120	0.4
229.04945	1.0
239.03307	0.4
243.02962	8.3
244.03377	0.7
245.04497	1.3
254.02135	0.9
255.02956	20.2
256.00916	0.3
256.03339	1.3
257.04340	0.5
267.38846	0.4
271.02457	48.6
272.02924	4.3
273.04059	2.0
283.02420	0.9
297.04022	0.3
299.01950	11.0
300.02725	91.2
301.03482	100.0
302.03867	6.6
305.10922	0.3
343.04391	0.7
397.13794	0.6
462.08426	0.5
463.08786	16.7
464.09174	1.8
504.09375	0.3
505.09860	90.3
506.10196	10.7
567.90692	0.3
666.40497	2.1
667.15045	7.0
667.25690	0.6
667.40778	1.1
668.15533	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	665.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.5
59.01249	11.2
59.81699	0.6
61.98699	3.9
63.84741	0.5
69.03346	0.9
71.01251	8.3
71.04891	0.9
71.58179	0.8
72.99181	1.2
73.02812	1.9
74.26702	0.7
74.98921	0.6
78.95772	2.1
79.95607	1.3
80.02531	1.4
81.03329	1.4
83.01241	1.1
83.04894	3.8
85.02813	3.3
87.00747	2.3
89.02302	4.8
93.03343	1.4
95.04884	1.9
96.95886	55.6
97.06472	12.4
100.94123	0.8
101.02323	5.5
104.98377	0.8
107.86242	0.7
109.02809	1.0
111.04418	1.1
113.02324	2.8
118.97964	2.2
119.03389	1.3
119.04874	0.8
123.04395	1.8
123.08043	7.5
125.02319	1.3
125.09608	89.3
126.09945	2.8
129.01797	0.9
133.02858	1.1
135.04399	2.1
143.10687	1.0
161.02429	1.3
161.04457	1.8
163.03899	1.0
163.11177	2.6
165.12735	1.6
168.00580	0.8
169.08617	2.5
171.10197	1.2
173.04449	2.3
177.01860	0.8
179.03375	1.0
187.09674	64.9
188.10048	2.5
191.05576	5.2
196.21907	0.8
201.11250	0.8
209.11760	46.4
210.12059	3.1
211.09650	0.7
215.07080	1.2
227.12871	4.4
235.08121	1.7
253.09349	4.3
287.60477	0.7
297.06494	1.0
405.17581	5.0
414.30157	0.7
423.18726	12.2
452.36987	0.8
539.33643	0.7
567.27844	1.3
605.23315	0.9
615.30072	4.4
616.30688	0.8
629.70569	0.9
633.31226	100.0
634.31702	15.6
638.29639	0.8
665.34943	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	665.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15471	1.4
59.01253	22.4
62.54311	1.6
64.83540	1.5
71.01241	6.1
72.99198	2.0
73.02810	4.3
85.02827	8.2
87.00742	3.2
89.02306	3.9
92.04927	2.0
93.03329	3.3
94.06503	3.1
95.01268	1.8
95.04887	1.6
96.95884	16.9
98.19780	4.0
101.02342	4.1
106.06508	8.0
108.04419	3.8
108.08002	2.0
111.00729	1.5
111.04438	1.7
113.02315	1.7
119.04910	2.3
122.05990	22.7
122.68665	1.7
132.04428	2.0
133.02852	2.0
134.06001	17.0
135.04427	7.9
136.03923	2.3
136.07581	31.3
138.05489	2.1
145.02779	2.2
146.05984	3.7
148.03937	3.8
149.04713	4.3
150.05492	9.8
151.00214	1.8
154.04999	1.6
160.03940	50.4
161.02325	5.4
161.04501	2.9
162.05621	2.6
163.03920	3.1
164.07079	50.8
165.07480	1.7
166.04927	2.7
173.04515	4.7
173.07153	2.0
176.01003	1.8
176.03444	32.1
176.07021	2.4
177.03857	2.3
178.08507	1.9
179.03375	6.4
187.06418	2.0
191.03352	2.8
191.05525	11.0
191.08182	9.8
201.06627	3.0
203.08119	2.7
205.09727	5.6
206.08214	9.3
211.08784	1.7
212.05765	1.9
215.08240	2.2
215.39703	1.7
225.07869	1.6
227.08157	4.0
227.11890	2.3
229.09785	3.3
229.63693	1.6
231.11264	3.4
233.09277	20.8
239.08127	3.3
240.05338	3.6
241.09767	4.1
241.21484	1.6
243.11365	6.5
245.06891	22.8
246.07431	2.7
251.05902	1.5
251.10356	6.0
252.08852	2.1
253.09798	3.6
254.06796	1.8
255.07677	11.6
255.11382	5.5
256.08392	9.7
259.10867	2.5
267.11307	9.0
268.08502	5.5
269.09155	2.2
269.12869	5.1
270.09985	2.1
271.02362	2.5
271.10864	11.0
283.02451	3.4
283.10910	11.7
284.11337	3.2
287.01938	3.4
297.09525	2.6
297.12549	4.0
299.01880	2.5
300.02737	2.1
301.11902	4.7
313.11804	3.5
315.01550	5.0
319.12952	4.2
325.11804	2.9
325.15359	1.7
327.09894	2.6
329.11346	3.4
337.13779	2.5
339.08676	3.4
341.11359	16.1
341.14990	5.7
353.11414	6.3
354.11365	2.2
369.14053	13.2
395.12589	4.8
413.13510	70.3
414.13654	7.2
470.19235	2.4
488.20218	2.4
524.16803	6.1
587.21216	3.6
605.22784	18.0
606.22583	2.3
629.22009	9.7
647.23474	57.0
648.23724	11.2
664.39417	7.3
665.24615	100.0
665.38763	7.4
666.25146	20.1
666.40430	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	665.1718
Annotation	Isorhamnetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside)
Peak:m/z	Relative Intensity
53.26481	0.5
57.03329	0.6
59.01249	6.5
59.85011	0.5
63.02285	0.6
65.00218	1.8
71.01254	5.0
71.58290	0.8
73.02816	1.5
80.04955	0.7
83.01262	1.3
85.02830	2.3
87.00761	1.0
88.08585	0.6
89.02309	2.8
93.03323	1.1
94.42403	0.5
95.01278	0.7
96.95889	17.8
96.96508	1.1
101.02335	1.7
106.06494	1.1
107.01271	2.6
108.02101	0.6
113.02333	1.6
117.36121	0.5
119.04949	0.7
122.05975	0.8
125.02361	0.7
133.02843	0.7
134.03691	0.7
135.00754	0.6
135.04434	1.8
137.02246	0.6
145.02850	1.4
150.05467	1.6
151.00269	7.2
152.01112	0.6
152.07050	0.7
157.02831	0.7
159.04411	0.5
161.02382	2.5
169.01393	1.1
169.02907	0.8
171.04449	2.8
173.04492	1.5
176.03403	3.0
178.99765	2.7
179.03397	0.8
183.04457	2.3
187.03871	1.4
191.05527	3.4
198.03233	0.8
199.03928	10.0
201.01840	2.0
203.03447	1.5
211.04004	0.7
215.03392	4.8
225.01852	0.6
226.02756	0.8
227.03418	9.7
228.03879	1.0
229.01477	0.8
233.63118	0.5
241.01439	0.8
242.02176	8.8
243.02945	47.3
244.03284	2.8
255.02957	13.1
256.03485	1.4
257.04550	8.8
258.04999	0.9
267.11349	0.8
269.12918	0.6
270.01697	8.8
271.02460	56.8
272.02869	3.4
283.02322	0.7
285.04022	16.8
286.04755	5.2
287.05569	1.8
287.09549	1.8
299.01950	85.6
300.02563	15.2
301.03192	0.6
313.03674	2.5
314.04300	100.0
315.05005	25.9
316.05383	0.9
461.05322	0.9
501.10266	1.7
524.15851	0.7
545.49567	0.6
549.20850	0.5
561.29449	1.3
579.29932	0.9
623.16101	1.4
629.21967	1.2
664.38965	2.7
665.17139	84.7
665.37280	2.0
665.39191	1.8
666.17493	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	661.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00179	0.6
55.02425	0.7
56.75384	0.8
57.03312	0.8
59.01247	7.3
60.99180	1.0
67.01754	3.4
68.36999	0.7
69.86803	4.3
70.92948	0.6
71.01251	4.1
73.02823	1.9
77.03828	0.8
80.96383	2.4
81.03329	1.4
83.04898	2.4
85.02814	10.4
87.00763	3.5
87.01571	0.8
89.03854	0.8
93.03336	20.9
95.04926	1.2
96.95899	1.9
97.86520	0.7
99.04378	0.9
101.02351	1.0
105.03332	5.5
108.02042	1.1
109.02850	3.4
110.55059	0.7
111.00816	0.7
111.04395	6.2
111.08060	1.2
116.28099	0.7
121.02837	1.9
123.04387	1.1
124.01570	1.6
125.09618	0.8
127.03936	3.8
129.01878	1.6
132.02020	2.0
133.02846	31.8
134.03633	14.3
135.04410	97.1
136.04741	3.3
137.02339	8.8
139.03908	2.6
150.03133	1.2
151.03920	1.7
155.03412	5.1
155.98709	0.7
160.01563	3.1
161.02348	15.0
169.12216	1.7
171.10138	2.0
173.04462	43.8
174.03122	1.4
177.01843	12.1
178.02621	11.9
179.03410	33.9
180.03712	1.3
182.05833	0.8
191.05533	100.0
192.05901	2.2
197.11754	1.2
199.09671	1.6
209.11752	0.8
213.11172	0.8
215.05467	1.5
227.10663	1.2
255.13991	0.8
269.11740	1.4
271.34329	0.7
273.14914	1.1
287.12903	1.5
291.19696	1.6
299.12921	0.8
307.07794	1.0
307.19009	2.0
308.09006	4.8
308.96414	0.8
309.20697	15.2
310.20996	1.3
337.35822	0.9
351.07135	7.1
352.07950	8.2
353.08603	3.5
370.84927	0.9
378.31006	0.7
382.14099	1.5
399.14340	1.7
400.15182	2.2
407.21881	1.0
425.23297	7.3
443.24335	31.3
443.30521	1.5
444.24774	3.8
451.21320	1.5
455.26297	0.8
457.51956	0.8
469.22281	22.4
470.22501	2.8
471.15240	3.1
487.23297	17.7
487.81778	0.7
488.23727	3.1
626.78729	0.9
629.32123	2.3
661.28540	29.8
662.29034	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	660.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01583	1.0
71.57423	1.1
77.08767	0.7
78.35906	0.7
78.72795	0.7
78.95776	7.9
82.50517	0.7
102.04308	0.7
124.55241	0.7
126.33546	0.9
130.26656	0.7
139.14917	0.8
141.01593	76.2
142.01962	1.6
152.99460	5.5
153.32553	0.9
171.00545	2.1
234.17671	0.8
279.23166	5.2
284.31119	0.8
412.37637	0.9
433.23450	0.8
504.30936	2.2
661.27686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.0
59.01255	16.0
61.98694	3.9
63.96091	2.0
67.01749	4.0
71.01256	14.7
73.02818	5.4
77.67137	1.6
78.95783	2.0
78.98461	7.0
79.95608	45.9
80.96391	65.6
80.97945	1.7
81.03307	2.3
83.01251	2.5
83.04922	2.8
85.02813	10.4
85.06477	4.1
87.00756	7.8
93.03329	13.7
94.97958	19.4
95.01298	2.0
95.04900	2.3
96.95876	8.3
97.02856	1.7
98.80307	1.9
99.00757	2.4
101.02305	4.4
106.97958	2.4
108.22162	2.0
111.04401	4.3
120.08096	2.4
122.05999	9.7
122.97450	6.8
124.07589	1.9
125.02345	5.5
127.03910	3.5
129.07899	1.7
133.02849	1.8
134.06033	1.9
134.97485	2.6
135.04424	5.7
136.99146	2.6
137.02286	1.7
144.04489	1.9
146.06044	3.4
148.07593	17.8
148.99055	8.1
150.05565	2.7
151.11163	2.5
152.98515	5.7
155.03314	2.3
156.42934	1.6
161.04623	2.2
162.05432	2.1
164.98550	8.8
165.12584	1.9
169.12270	10.2
171.10234	8.7
172.03918	2.7
173.04532	22.0
173.07104	27.4
174.05496	3.9
176.07111	2.7
179.03467	2.8
181.12169	1.8
182.99600	2.4
185.11801	1.7
187.07501	3.3
190.05074	2.9
191.05550	44.3
197.11705	3.7
203.11916	3.3
204.06575	3.8
206.99619	3.7
207.05096	2.5
209.11787	22.6
210.12064	2.6
211.13388	4.3
212.13599	2.6
213.11293	4.9
215.07028	5.8
225.00674	23.4
225.11336	3.3
227.12819	3.0
229.08604	2.8
237.10268	2.4
239.08438	2.0
240.09061	2.4
243.01657	3.6
251.11839	3.6
253.09618	8.3
253.13428	3.5
254.11884	3.2
255.11389	3.8
259.14554	3.1
264.09073	2.4
267.07755	6.0
267.11374	2.3
269.12881	2.9
279.07849	3.4
279.11374	6.0
281.09225	6.4
282.09995	6.0
285.12491	3.2
290.06961	2.9
295.10861	14.3
297.12442	59.6
298.12677	7.1
299.04379	4.5
314.09058	4.8
323.10382	53.1
324.10635	5.8
329.13922	3.5
340.13159	2.3
341.11295	5.1
344.16156	5.0
355.13052	3.0
367.09311	20.7
370.14120	1.9
399.11893	6.1
441.22736	3.0
449.20090	2.8
467.20706	3.5
471.15424	100.0
472.15460	11.4
485.21793	3.2
491.20892	3.6
526.05719	1.9
527.18097	5.7
537.24823	5.0
543.17383	3.6
547.23602	8.7
565.24481	9.6
583.25586	13.6
591.22778	5.0
609.23499	11.2
610.23480	2.8
627.24658	79.7
628.25024	15.0
641.24634	12.5
659.25555	47.7
660.27271	6.5
668.71631	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
59.01251	20.1
61.98701	2.0
65.56859	0.6
70.43810	0.6
71.01250	3.5
71.13644	1.5
71.14022	1.5
73.02804	2.0
80.04913	3.2
83.01250	1.0
85.02818	1.3
87.00739	0.7
89.02318	1.8
92.04934	0.9
93.03327	2.4
94.06490	2.8
96.95887	5.3
101.02316	3.0
106.06522	5.6
107.03667	6.3
108.04424	3.5
108.08073	1.9
113.02300	1.1
120.04426	2.1
120.08076	2.7
121.05210	3.8
122.06011	54.5
124.07607	0.8
132.04439	5.9
134.06017	9.6
135.04433	0.9
136.04021	0.9
136.05148	0.9
136.07571	6.6
137.02318	2.7
139.02635	2.0
146.05989	2.4
148.07550	1.5
150.05515	1.6
150.06744	0.7
151.00320	1.1
152.07079	52.8
153.07405	1.4
155.10660	1.4
159.05544	0.8
160.06325	7.6
160.07573	2.3
162.05516	1.1
162.09143	6.7
165.09027	1.3
166.04915	1.2
168.95293	0.7
169.15941	0.7
173.04468	3.2
179.03348	0.7
180.06589	15.0
188.07083	1.2
191.05513	5.0
197.07191	1.2
198.12840	1.1
206.08185	1.3
211.08740	2.8
213.10274	37.3
214.10524	3.0
214.12384	1.5
223.08679	3.2
224.09497	1.3
225.10222	5.1
226.11050	4.9
237.10262	3.2
238.10976	1.9
239.08289	5.8
239.11868	13.6
240.12236	1.2
241.09822	1.1
241.13432	27.6
242.13741	1.9
245.12907	1.2
251.08273	2.6
251.11833	4.1
252.09003	1.7
252.12605	2.6
253.09821	7.3
253.13376	2.7
255.11354	1.0
265.09598	1.8
265.13412	1.0
266.10519	1.5
267.11368	6.8
267.15005	9.1
268.12204	4.9
268.14880	1.3
269.12863	1.5
279.07974	0.7
279.11383	2.0
280.12057	4.7
281.12817	5.1
285.12448	93.2
286.12766	7.3
293.12729	0.8
295.10809	1.4
296.11670	2.3
297.12433	27.6
297.94928	0.8
298.12912	2.2
311.13959	2.4
312.11145	2.6
313.11908	3.0
316.14481	2.7
325.11880	1.6
344.13992	0.8
356.14011	0.8
358.15646	1.2
374.14621	0.9
374.18863	3.4
404.16086	2.6
405.20819	0.9
418.17639	2.7
422.20844	1.1
433.19974	3.0
441.22885	2.3
450.20279	3.9
460.18732	1.1
467.20575	1.5
477.19061	13.4
478.19708	17.8
479.20212	1.5
492.21399	62.9
493.21814	9.2
497.34848	1.3
511.23425	1.7
539.26477	7.8
540.26544	1.3
555.26221	1.9
565.25024	1.3
575.11316	0.8
583.25604	100.0
584.25977	18.2
615.28204	42.2
616.20166	1.3
616.28564	7.3
641.26190	2.1
660.36346	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	658.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02441	0.5
59.01248	100.0
60.01596	1.0
61.98702	1.1
71.01271	0.5
71.56845	0.8
74.55846	0.4
78.95778	4.1
79.95618	0.5
80.39859	0.4
80.96377	3.0
82.31660	0.4
94.97974	0.7
97.06435	0.5
101.02350	0.6
105.84654	0.5
122.97459	0.6
141.01590	76.2
142.01921	1.4
148.99043	0.5
152.99503	2.4
164.98471	0.7
169.12241	1.4
171.00525	2.2
171.10072	0.7
191.05505	0.6
206.99536	0.5
209.11752	1.8
213.11201	0.6
225.00665	1.4
277.21698	5.0
427.15646	0.4
431.21591	0.5
502.29578	2.8
577.26685	5.7
607.24182	0.5
630.71277	0.5
659.25342	0.9
664.49255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07026	0.7
56.09447	0.6
58.61259	0.7
59.01244	0.9
62.39843	0.6
63.42870	0.6
65.22201	0.7
66.97647	0.6
71.01266	1.6
71.56971	0.8
71.57347	0.7
76.78320	0.7
79.95623	2.1
85.02825	1.4
87.00742	0.8
89.02284	0.9
92.59669	0.7
93.03320	2.7
96.95885	100.0
98.95473	1.9
112.86792	0.7
123.54255	0.6
135.75111	0.7
173.04465	2.0
186.02440	0.7
191.05542	11.8
207.04936	0.9
215.87080	0.7
303.08984	1.4
305.10623	83.0
306.11008	7.1
321.10159	4.2
367.10309	2.4
419.14899	1.0
550.09747	0.9
623.25153	0.9
659.26971	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	659.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
59.01257	1.8
63.96112	0.8
69.03305	0.4
70.31688	0.8
70.32075	1.3
71.01247	7.1
73.02821	1.4
78.95764	7.7
78.98460	4.8
79.95598	7.9
80.96387	51.3
81.13854	0.4
85.02813	1.9
87.00761	2.0
94.97957	13.2
95.01276	0.5
96.95913	0.7
96.96818	0.8
97.02822	1.5
98.19858	0.4
101.02312	2.5
106.97961	3.0
113.02328	0.5
117.68707	0.3
120.94401	0.7
122.02049	0.4
122.97470	5.8
125.02338	3.1
127.03899	0.7
132.99155	0.4
134.97469	4.3
136.99010	1.2
148.99046	4.9
152.98505	5.5
152.99512	3.7
153.68500	0.4
162.95468	1.7
164.98535	9.9
171.00479	2.8
182.99591	1.7
204.96613	0.6
206.99617	3.1
209.11760	0.7
225.00699	18.5
227.03143	0.5
243.01717	1.9
277.21640	3.0
299.04340	8.0
306.99768	0.5
357.03299	0.7
380.79816	0.4
381.03534	2.8
431.21994	1.4
577.26837	100.0
578.27185	14.2
578.36469	0.7
599.23999	1.9
659.25128	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	657.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05530	0.9
57.03315	1.7
58.37651	0.9
59.01253	12.0
61.98690	2.9
71.01255	7.8
71.58065	1.2
72.99181	1.4
73.02820	2.6
77.10463	0.8
78.95813	1.1
79.95161	0.9
79.95618	1.9
83.01267	1.2
83.04901	1.2
85.02806	4.7
87.00752	2.3
89.02325	2.5
93.03340	4.6
96.95892	14.9
101.02339	4.4
106.06529	1.5
107.04900	1.7
109.02843	1.8
109.06499	1.4
111.04435	2.1
113.02319	2.2
121.06495	4.2
122.06023	1.0
123.04475	1.9
123.08045	1.5
127.03864	1.1
132.04431	1.3
134.05977	1.5
135.04431	4.9
135.08063	1.2
136.05208	52.0
136.07532	1.8
137.02365	5.1
137.05556	1.2
137.09654	1.3
139.03905	2.1
139.11241	1.0
147.08034	2.9
149.05969	6.7
150.06764	10.6
151.07539	0.9
152.07037	1.0
155.10680	1.6
162.06761	2.1
163.07533	4.0
164.08307	3.4
165.09126	59.0
166.09547	2.3
169.12296	1.9
171.10196	2.7
173.04442	6.4
178.04967	1.3
179.03439	1.6
179.10733	2.0
185.11787	2.9
191.05559	12.0
197.11792	1.1
199.09879	1.2
207.04994	2.3
207.10194	1.1
209.11850	9.3
210.12012	2.4
211.13341	6.6
225.11058	1.5
227.03391	2.0
227.12846	1.7
241.09966	1.3
251.11765	1.3
255.02924	3.2
257.12970	4.2
264.09061	1.1
269.35446	1.1
271.02267	0.9
279.11404	2.7
279.49954	1.1
284.03470	1.8
285.04086	1.5
299.01825	1.1
301.11688	1.3
311.22211	1.2
315.13574	3.7
329.23331	35.2
330.23679	2.7
353.08786	1.5
389.75797	1.2
436.18713	2.5
477.32309	10.8
478.32690	1.4
494.32648	3.7
495.33051	39.0
496.33810	5.7
499.92331	1.1
509.34814	1.8
537.34924	1.6
563.23035	2.6
581.24097	3.6
619.17126	2.8
625.23883	2.4
657.26196	4.2
657.38599	100.0
658.39307	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	657.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	23.5
61.98680	2.4
63.75465	1.9
71.01257	18.2
71.57379	2.9
72.99194	2.6
73.02809	3.8
73.34136	2.2
78.42532	1.9
83.01295	1.9
83.04898	4.3
85.02820	5.0
87.00748	8.5
87.05913	2.2
89.02303	15.5
93.03335	3.8
95.01220	2.6
96.95902	15.9
97.02788	2.7
101.02304	12.5
102.84566	2.3
103.03896	4.9
109.02816	3.0
113.02324	7.1
119.03352	4.8
121.02737	2.8
125.02303	4.6
143.03423	2.1
155.70850	2.1
161.04451	3.1
163.11201	3.7
165.12776	2.6
169.85378	2.0
173.04465	3.8
179.05507	2.8
181.05214	4.6
186.17665	2.1
191.05505	12.1
201.94655	2.0
209.11768	100.0
210.12091	5.6
227.12837	23.5
235.08174	3.0
259.15405	4.1
303.09064	3.7
397.13467	49.2
398.13736	3.6
415.14597	27.8
416.14706	3.8
560.33722	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	657.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73933	0.2
69.51107	0.2
74.68050	0.2
79.95605	1.1
96.95884	100.0
97.95813	0.3
98.20595	0.3
102.46688	0.2
114.17875	0.2
120.66901	0.2
123.34367	0.2
142.89137	0.2
166.08841	0.2
252.24545	0.2
271.15463	0.8
303.09052	64.2
304.09393	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	657.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15072	0.5
59.01247	7.0
61.98698	0.7
67.01787	0.5
69.03314	0.5
71.01250	3.2
71.57772	0.5
71.58197	0.5
78.95759	1.5
81.03330	0.6
83.01284	0.7
83.04908	2.8
85.02806	1.5
87.00733	0.6
89.02290	1.5
93.03324	1.9
94.06480	0.6
95.04876	0.6
96.95863	2.9
97.02843	0.7
101.02327	2.3
104.04924	1.0
106.06500	0.8
106.75727	0.6
107.03631	1.1
113.02278	0.8
118.26795	0.5
122.06004	9.2
125.09591	0.7
132.04448	61.4
133.04796	2.0
134.06024	2.5
135.08035	0.7
137.02328	1.1
138.05563	0.5
139.03934	1.3
144.04439	0.6
149.05957	0.7
149.81567	0.6
150.06769	3.5
152.07079	21.2
152.99545	0.7
161.04530	0.5
162.05548	0.6
163.03845	0.6
163.11185	1.7
164.08266	0.8
164.11479	0.8
165.09192	0.9
165.12796	1.4
171.10136	2.9
173.04477	1.5
176.03474	5.2
179.10646	1.3
188.03542	0.5
191.05530	4.0
197.11821	0.6
198.09177	1.6
199.09689	0.6
207.05005	0.7
207.10207	0.5
209.11763	53.0
210.12115	24.9
211.13306	7.7
221.00752	0.5
223.08679	0.8
225.11377	0.7
226.07486	0.5
227.03397	0.6
227.12839	4.7
228.09061	2.8
228.13181	1.5
235.08191	1.3
239.11855	10.5
241.09787	56.7
242.02246	0.5
242.10161	4.3
242.79684	0.6
243.11386	1.2
247.13231	1.0
253.09268	2.7
254.09760	0.6
255.11414	1.6
256.12146	35.5
257.12503	2.3
265.13391	3.6
267.11285	0.7
283.10690	0.6
285.03903	0.6
285.12457	1.0
297.12427	25.3
298.12836	1.0
300.11136	7.1
315.13498	100.0
316.13782	8.1
341.11383	6.9
403.24506	0.6
420.19183	0.7
447.21695	0.6
495.37100	5.4
515.94666	0.6
534.22522	1.9
537.25269	5.6
581.22955	0.9
619.17078	0.8
625.23047	1.2
639.32745	0.9
656.37042	1.5
657.25800	1.2
657.37494	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	656.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27168	1.5
57.03314	2.5
58.00490	1.6
59.01247	21.9
61.98688	5.6
68.85148	1.7
69.03327	2.1
71.01241	10.2
71.58739	2.0
72.17152	1.6
73.02840	8.5
74.54954	1.5
78.95766	2.4
79.68174	1.5
80.96367	1.9
83.01231	2.3
83.04895	3.9
85.02811	8.9
87.00751	3.5
87.04383	22.4
93.03310	3.0
95.04921	3.0
96.95896	11.9
97.02818	5.1
99.04333	2.4
101.02316	8.8
109.02795	2.5
109.06480	3.1
111.04419	3.2
111.08127	1.8
113.02295	4.1
122.06019	2.1
123.08066	1.9
125.02327	3.1
125.05999	2.5
127.07572	2.0
133.02863	2.0
134.03624	11.6
134.05984	4.2
135.04414	28.8
135.08046	5.1
136.07581	1.8
137.02318	2.2
137.05978	2.7
137.09604	19.0
139.07538	5.6
142.69337	1.9
147.04347	1.9
148.05194	59.0
149.05882	7.3
149.09654	2.0
150.06670	3.4
151.00214	2.7
151.11212	3.2
152.06967	2.4
155.10677	92.9
156.10959	3.3
161.09680	1.9
162.05522	1.8
163.07500	2.8
163.11151	2.6
165.09142	2.9
167.10634	2.0
169.12234	4.9
171.10161	3.2
173.04437	6.0
176.03458	8.3
177.04214	3.3
178.05017	43.3
178.99768	2.5
179.03426	2.3
179.05344	2.5
179.10686	12.6
181.08621	6.6
181.12242	2.5
190.04980	15.5
191.05560	12.7
191.10674	5.6
193.12225	2.2
195.10182	5.0
199.09680	63.5
200.10048	2.2
209.11769	19.5
210.12076	6.1
211.13380	3.6
213.11255	3.0
223.09689	3.0
225.11296	4.0
227.03470	6.3
227.12816	3.4
228.13100	2.1
241.10872	18.0
253.08559	2.4
253.10794	5.0
255.02983	10.8
255.12308	5.1
257.12988	3.2
280.29648	2.1
283.11850	28.4
284.03278	7.7
284.12195	3.1
285.04007	7.1
297.09991	14.8
298.10828	20.8
299.02130	2.3
299.11026	2.2
300.02481	2.2
301.11603	1.7
312.12384	98.8
313.12753	8.3
343.14005	17.6
344.14191	2.8
353.08908	2.0
456.16586	2.6
506.20200	6.9
553.24646	2.1
581.23816	3.5
619.16046	1.9
620.16785	4.0
656.27130	100.0
657.26746	16.9
657.37299	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	655.3701
Annotation	Russelioside A
Peak:m/z	Relative Intensity
57.03334	1.2
59.01253	12.9
61.98708	2.1
62.87560	1.0
65.86258	1.0
71.01241	5.8
73.02821	2.9
73.92619	1.0
78.95774	5.7
79.95647	1.1
83.01269	1.1
83.04901	3.2
85.02824	3.2
85.94505	1.1
89.02333	2.1
93.03339	2.6
96.95886	10.9
101.02325	2.8
101.23664	0.9
107.04948	1.4
108.02024	1.3
109.02838	2.0
109.06509	1.1
111.04420	3.6
113.02322	2.4
119.04988	1.0
121.02880	1.5
121.06500	3.0
124.01563	1.0
125.09679	1.3
128.58122	1.3
128.59085	1.3
135.04439	4.5
135.08047	1.5
136.05208	40.8
137.02362	7.1
137.05844	1.1
147.08040	1.3
148.05219	1.3
149.05980	5.1
150.06738	7.8
152.99487	2.8
155.10654	1.5
162.06789	2.1
163.07507	2.3
163.11234	1.5
164.08359	3.1
165.09119	51.8
166.09500	1.9
171.10210	3.2
173.04480	3.3
179.06958	1.1
179.10732	2.0
185.11778	8.4
191.05521	5.3
207.10262	2.4
209.11775	47.2
210.12128	3.3
211.13361	1.5
214.12241	1.5
218.04559	1.1
227.12819	5.5
242.02199	1.4
249.18007	1.2
253.09375	2.5
267.11310	1.0
270.01755	1.9
291.19696	1.5
300.02316	1.2
304.43930	1.4
304.77417	1.1
309.20773	1.4
315.13443	1.3
325.79929	1.2
327.21774	27.4
328.22180	2.7
401.23492	1.2
414.09210	1.4
435.31583	1.3
475.30569	10.7
492.30713	2.0
493.31503	42.5
494.32037	6.4
507.33801	1.7
591.26062	1.3
600.32660	1.3
619.16504	5.4
620.16553	1.6
623.28412	2.1
637.32544	1.4
655.37097	100.0
656.37598	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	655.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.0
59.01249	49.1
61.98700	1.1
65.50111	0.6
67.01752	0.7
69.03300	1.1
71.01252	9.2
71.57796	0.8
71.58134	1.0
72.99162	0.6
73.02822	5.9
78.95767	0.7
80.02535	1.4
80.96397	0.7
81.03313	2.0
83.01257	1.2
83.04882	5.0
85.02820	3.4
87.00742	1.5
88.98682	1.4
89.02302	2.7
93.03348	5.3
95.01236	1.1
95.04909	1.3
96.95873	4.5
97.02833	1.0
97.06506	0.7
99.00765	1.3
99.04374	1.4
101.02328	5.3
109.02789	0.9
109.06444	1.1
111.04402	0.9
113.02335	3.3
119.03355	2.1
119.04881	0.8
121.02952	0.6
122.05985	2.0
125.02325	0.6
125.05914	0.9
133.02847	3.3
134.03653	1.7
134.06030	3.8
135.04381	2.9
136.05193	1.7
137.02362	4.3
138.06747	2.7
139.07542	0.9
149.05969	0.7
150.06738	0.9
151.00253	1.8
151.07617	1.1
152.07059	2.1
152.08327	2.0
153.01877	0.6
153.09102	9.1
155.10677	0.9
161.04434	1.1
163.03912	0.8
163.11169	3.6
165.09128	0.9
165.12727	3.6
171.10132	2.0
173.04471	4.4
174.01575	0.8
177.01859	2.6
178.02556	1.7
178.99792	0.9
179.03418	0.7
179.07124	0.7
185.11841	0.7
191.05560	4.7
191.10712	1.2
199.09721	0.7
205.12271	6.7
207.13869	0.8
209.11768	100.0
210.12102	5.2
223.13301	1.1
225.14874	3.3
227.12828	19.0
228.13147	0.7
235.08244	1.0
239.11960	0.8
247.13344	1.6
252.08965	1.0
253.09322	4.1
255.02917	0.7
265.13364	0.8
267.11407	2.1
269.13925	1.5
271.02631	1.2
279.11502	0.9
299.01880	1.4
300.02362	1.1
367.17758	1.4
401.23260	0.9
434.71603	0.7
459.04330	1.0
463.20114	1.1
518.19507	3.1
532.20551	0.7
533.21429	0.9
623.25159	1.0
637.23358	1.3
637.33295	4.4
638.34186	0.8
655.33551	58.3
656.34198	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	655.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43384	1.1
59.01247	100.0
60.01589	1.0
60.48501	1.0
61.98695	3.8
62.34011	0.9
69.86637	5.7
71.01262	1.7
78.42941	1.0
78.95747	1.8
80.96376	1.5
87.09525	0.9
99.85429	1.0
100.09312	1.1
109.06453	1.4
141.01593	55.2
147.29396	1.2
207.10210	1.2
209.11816	6.2
211.13307	4.2
225.11269	1.4
255.23210	1.4
275.06161	3.7
277.21637	3.1
339.00049	2.9
359.22104	1.4
391.19687	2.0
392.15320	1.3
535.27466	1.4
637.32050	1.5
655.32825	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	655.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47957	1.6
56.21572	1.4
59.01249	100.0
59.25600	1.6
71.01250	2.5
88.72117	1.4
95.43700	1.4
97.02830	2.0
101.00821	3.2
105.61504	1.6
117.00290	2.1
120.62130	1.4
141.00479	3.5
141.01595	62.8
173.02924	2.2
209.11736	3.1
222.62106	1.5
236.60867	1.6
256.24561	1.4
257.05103	2.6
275.06146	11.9
277.21664	1.9
316.56586	1.6
317.07449	1.6
335.08270	1.6
359.21313	1.5
391.19650	6.1
396.11557	1.6
501.28879	1.7
535.27423	12.3
536.27771	3.5
595.29749	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	654.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52458	1.6
55.50972	1.4
58.02825	1.6
59.01250	100.0
61.98705	3.8
67.84486	1.5
69.33401	15.3
71.01257	6.1
72.99182	2.1
73.02821	2.9
78.95781	15.1
83.01264	2.0
85.02827	2.5
87.00722	1.9
89.02324	2.1
92.26202	1.5
93.03327	7.2
96.95889	8.8
101.02303	3.2
106.06529	5.9
111.04354	1.5
113.02293	3.8
119.04939	2.9
120.08114	2.1
121.05230	20.9
122.06046	2.6
132.04451	30.3
133.02885	5.0
134.03670	5.3
134.06004	73.3
135.04425	5.4
135.06348	3.3
136.07585	7.0
137.02335	5.7
139.03905	7.0
144.04460	11.0
146.05994	2.3
149.02307	1.7
150.05527	3.1
151.00282	2.3
152.07062	6.2
155.10574	1.5
158.02361	4.3
158.04810	1.5
158.06042	6.5
160.03967	5.3
162.05544	5.1
171.00565	13.9
173.04482	6.7
176.03416	14.6
177.01891	3.7
178.02591	4.0
183.10268	2.1
188.03430	6.4
190.05019	11.9
191.05638	10.0
192.06558	2.2
194.08217	8.3
202.05035	3.7
203.05807	5.7
204.06618	5.6
207.05072	1.9
209.11778	6.6
216.06564	3.3
227.12779	1.8
235.08704	9.3
236.09514	2.9
237.10291	3.8
239.08185	5.3
241.09686	1.6
244.73334	2.1
245.81094	1.6
249.06764	2.0
249.10263	4.6
250.11034	4.2
251.08249	3.2
251.11870	18.7
252.12173	2.2
253.09741	2.8
263.08307	8.5
264.09067	4.2
265.06378	2.0
265.09903	2.6
267.11392	2.5
277.06650	1.6
277.09711	8.1
278.10562	5.9
279.08112	3.8
279.11325	39.6
280.08511	3.3
280.11829	1.9
282.11371	3.6
283.10834	1.9
291.07816	2.6
292.08838	2.3
293.09195	3.4
294.10110	6.2
295.10889	17.5
305.09305	8.3
306.10117	4.0
307.10663	3.1
309.08978	3.6
309.12457	11.6
310.09573	3.3
310.13083	3.6
311.10303	2.0
312.11118	1.9
323.10364	64.3
324.10654	6.0
325.12051	2.1
337.11957	20.0
338.12680	25.6
339.13211	3.6
341.11227	5.9
352.10535	2.9
353.06732	3.1
354.12207	3.8
359.16275	2.8
368.13705	2.2
370.11591	7.3
371.11929	1.8
383.12476	23.9
383.17023	2.2
384.13098	2.7
386.15125	4.5
397.14038	18.6
398.14734	46.5
399.15363	4.6
427.15543	2.1
430.13794	51.6
431.14233	7.7
442.17755	3.4
446.16434	1.8
463.19138	1.8
474.20438	14.5
475.20810	2.4
502.19821	7.1
506.22971	65.0
507.23206	8.6
518.19641	2.9
519.20325	2.5
524.23926	3.1
532.20496	2.1
534.22546	18.8
541.72833	1.7
546.18787	3.2
550.21869	3.6
566.25006	37.0
567.25128	6.0
568.22949	2.6
578.21368	24.1
579.21979	3.2
610.24054	66.4
611.24451	10.1
619.16180	4.6
637.24841	2.2
654.30267	1.9
655.26367	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	654.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.5
59.01247	3.1
61.98682	1.0
63.02295	0.7
65.00208	0.7
69.03331	0.4
71.01250	2.3
71.54802	0.3
71.58245	0.4
78.95795	0.6
79.95597	0.4
80.96363	0.4
83.01253	1.1
83.04881	0.5
85.02814	0.9
87.00740	0.7
89.02322	0.8
91.83738	0.4
93.03342	1.0
96.95893	1.3
101.02318	0.7
107.01278	1.9
108.02071	0.4
109.02862	1.0
111.19217	0.4
113.02295	0.8
115.07531	0.3
119.04860	0.5
125.02305	0.9
125.09611	0.6
130.74643	0.4
133.02859	1.2
135.00861	0.4
135.04356	0.6
137.02348	0.9
139.03894	0.5
145.02765	0.5
147.00842	0.5
151.00247	4.0
159.04337	0.4
161.02347	0.6
163.03966	0.5
169.01389	0.8
171.00656	0.4
171.04399	1.8
171.10139	0.7
173.02356	0.4
173.04459	1.0
175.03897	1.2
178.99799	1.7
179.03426	0.6
186.03102	0.8
187.03957	0.7
189.01848	0.7
190.02696	0.4
191.05533	2.4
192.05885	0.4
198.03189	0.6
199.03923	4.9
201.01840	1.5
203.03410	0.9
203.14436	0.5
207.10213	1.1
209.11765	3.4
214.02635	1.7
215.03413	2.7
225.11270	0.6
226.02617	1.0
227.03447	4.1
236.08586	0.4
241.01378	5.6
242.02086	2.7
242.08171	0.5
243.02951	5.0
244.03392	0.6
245.00879	2.6
247.13416	0.4
253.09306	0.6
255.02983	2.6
270.01688	8.0
271.02463	55.3
272.02765	3.4
282.01523	0.7
283.02402	0.5
298.01181	2.8
299.01953	100.0
300.02542	12.7
301.03357	1.5
313.03217	0.4
417.23209	0.5
449.07632	2.3
475.08917	0.6
503.08264	3.2
504.09012	5.4
505.09906	4.7
635.30579	0.7
653.31897	1.5
654.14648	57.5
654.32465	1.9
655.14893	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	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.5
57.03318	1.1
57.11077	0.3
58.00468	2.1
59.01250	42.4
60.01583	0.4
61.98708	0.7
68.99674	0.5
69.03327	2.4
70.73093	0.3
71.01252	36.3
72.01595	0.5
72.99175	2.9
73.02818	5.8
75.00730	1.0
78.63006	0.3
78.95792	0.7
81.03313	1.3
83.01253	4.9
83.04915	0.5
85.02821	7.6
85.99977	0.6
86.36907	0.2
87.00745	9.2
89.02316	32.2
90.02666	0.6
91.03865	0.5
93.03342	0.5
95.01263	2.7
97.02827	7.4
99.00760	2.1
99.04375	0.3
101.02321	30.1
102.02652	0.4
103.03883	0.3
109.02837	1.1
111.00774	0.8
111.04394	1.0
113.02324	15.5
115.03894	0.8
119.03390	10.2
121.02863	0.7
123.04384	0.4
124.01561	0.4
125.02334	12.8
127.03857	0.4
129.01842	0.3
131.03374	2.0
133.04959	0.9
137.02351	0.3
139.03897	1.3
140.22032	0.3
141.01837	0.5
143.03391	6.2
149.04469	0.9
151.03952	0.3
152.99477	0.8
157.05048	0.3
157.10889	0.2
161.04469	6.9
162.04749	0.3
167.03421	0.8
167.42493	0.2
169.05048	0.7
171.02942	0.3
178.04253	0.2
179.05524	6.6
185.04486	0.4
199.06076	0.4
200.14125	0.2
203.05603	0.6
209.11786	0.3
217.07124	1.1
219.05067	0.8
221.06627	2.0
235.08199	13.8
236.08440	0.5
237.22079	0.3
245.06616	0.8
253.09268	3.5
255.23262	100.0
256.23605	8.1
263.07672	1.6
269.24985	0.5
277.09308	1.1
279.23331	0.4
287.07733	3.5
305.08768	3.9
306.09232	0.3
323.09836	1.7
361.11517	0.6
379.12485	0.9
397.13480	81.7
398.13831	5.8
398.18082	0.2
415.14560	31.5
416.14899	2.4
571.28906	0.6
595.28522	0.3
642.06024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
57.03313	1.1
58.00460	2.2
59.01248	35.8
60.01594	0.4
61.98695	0.8
62.46855	0.2
62.49638	0.2
68.99680	0.7
69.03320	2.4
71.01249	36.3
72.01601	0.3
72.99169	3.3
73.02813	6.2
75.00745	0.9
78.95371	0.2
78.95753	1.2
81.03316	1.4
83.01254	4.2
83.04948	0.3
85.02819	8.3
85.99988	0.4
87.00745	9.4
89.02311	30.4
90.02650	0.6
91.03879	0.7
93.03337	0.5
95.01261	2.7
97.02821	6.1
98.19764	0.5
99.00730	2.2
99.04417	0.4
100.39596	0.3
101.02316	29.3
102.02676	0.3
103.00232	0.3
103.03893	0.3
109.02835	0.6
111.00758	0.9
111.04400	1.1
113.02322	14.7
114.02724	0.3
115.03896	0.7
119.03380	8.9
121.02850	0.8
123.00756	0.4
123.04417	0.4
124.01559	0.3
125.02325	11.4
125.05950	0.2
126.02671	0.3
127.03900	0.6
129.01775	0.3
131.03375	1.5
133.04958	1.1
139.03934	1.2
139.04816	0.2
141.01808	0.6
143.03389	5.5
149.02367	0.5
149.04466	1.1
152.99498	0.8
159.02956	0.3
161.04460	7.1
161.05815	0.4
167.03368	1.0
169.04971	0.5
171.02879	0.4
179.05513	6.5
185.04463	0.6
199.06027	0.7
203.05457	0.4
217.07097	1.3
219.05052	0.4
221.06543	2.2
227.05672	0.3
235.08185	13.6
236.08530	0.5
245.06624	0.7
253.09209	3.2
255.23251	100.0
256.23578	7.1
263.07608	1.3
269.24695	0.4
277.09235	1.3
287.07709	3.6
297.24521	0.3
305.08722	4.1
314.10950	0.3
323.09830	1.8
326.89117	0.3
361.11230	0.5
379.12378	1.0
397.13470	83.1
398.13791	5.2
415.14551	30.2
415.18832	0.5
416.14917	2.0
503.86270	0.3
555.28308	0.4
560.32452	0.3
571.29230	1.1
572.28845	0.4
653.36499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24551	1.9
54.48386	1.7
57.65746	1.7
59.01250	31.3
59.50420	1.7
61.98684	2.0
66.50603	1.6
71.01252	15.5
72.99171	1.9
73.02812	4.3
75.00726	1.9
78.95767	3.8
81.03346	4.2
83.04871	5.7
85.02832	4.9
87.00727	2.6
88.40413	1.8
89.02300	6.7
91.31417	1.8
93.03310	5.4
95.01248	2.4
95.04887	3.2
96.95875	4.9
97.02818	3.6
97.06464	3.0
99.02907	2.0
101.02328	11.6
107.04914	2.5
108.02052	2.0
109.06470	10.0
111.04346	1.8
111.08012	2.0
113.02335	5.2
119.03440	2.4
119.04907	2.3
123.08056	3.3
125.02274	2.6
125.09602	8.5
135.04401	7.2
135.08040	2.3
135.53905	1.7
137.02313	3.0
145.16718	1.7
149.09616	1.9
151.11174	2.3
152.01053	2.3
161.04422	2.3
163.11198	11.6
165.12619	2.5
169.12201	1.8
171.10184	50.8
173.04485	6.6
177.09035	2.8
179.03391	2.0
179.10472	2.2
184.22818	1.7
185.11760	7.2
187.09628	2.9
191.05537	6.4
197.11562	2.0
207.10207	29.8
208.10490	2.7
209.11765	100.0
210.12080	5.3
211.13251	2.2
217.12364	3.9
221.11789	3.6
221.41298	2.0
225.11279	22.4
226.11809	2.0
227.12759	9.0
229.12228	2.2
231.10115	2.6
235.08130	3.3
235.13393	4.3
237.15004	2.1
245.11751	5.1
247.13385	4.8
249.11281	2.3
253.09314	11.0
263.12866	5.9
265.14395	3.5
306.07510	2.2
314.11041	1.9
389.23251	2.4
399.21722	8.2
407.19183	3.5
417.22949	14.8
421.12070	1.9
435.23676	5.2
445.20752	3.7
461.20667	3.0
463.22202	2.1
603.44928	2.1
635.30682	23.2
636.30786	5.8
653.31506	74.3
654.31879	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	652.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
55.81353	0.5
57.03314	1.8
58.00465	0.9
59.01252	7.5
60.04409	0.9
61.98687	0.9
62.77174	0.6
67.01743	0.6
71.01255	2.2
71.04890	1.2
71.57650	0.6
72.99178	0.8
73.02810	3.8
74.98959	1.1
78.95776	1.8
79.97856	0.5
83.01263	0.7
83.04879	3.2
85.02830	1.9
85.06461	1.2
86.02319	1.0
87.00742	1.4
87.04391	4.5
88.03916	4.2
89.02327	1.1
93.03323	2.2
95.04886	1.5
96.95886	5.9
97.06458	1.5
99.00739	1.0
99.04401	1.1
100.03893	2.5
101.02325	2.2
101.05960	0.6
103.96032	0.5
107.01223	0.6
108.02040	1.9
109.02845	2.6
109.06470	1.2
111.08043	1.5
113.02300	1.2
113.06012	1.1
115.07480	0.7
119.04861	1.0
123.08061	1.2
125.09618	0.7
126.09199	0.7
127.07491	0.7
129.09068	2.8
131.07039	8.3
133.02811	0.6
134.03632	0.7
134.06020	0.6
135.04416	1.9
136.99052	1.6
137.02321	0.9
137.09624	0.8
139.11240	0.6
143.07030	1.3
143.10699	0.7
149.05920	0.7
151.00275	0.7
151.03812	0.9
152.01057	1.4
152.99524	1.3
153.01804	1.4
155.03473	0.5
155.10638	1.0
160.09712	4.5
161.02325	0.9
163.03860	0.8
164.79553	0.5
165.79868	0.6
169.12329	0.9
169.59059	0.5
173.04420	2.8
177.05573	0.5
179.03326	0.6
183.13831	0.8
184.09763	0.6
187.09767	0.6
189.05446	1.6
191.05550	9.6
192.05841	0.6
192.12370	1.5
201.09456	0.6
201.11281	2.2
207.05020	1.4
209.11760	3.0
209.15179	0.6
217.41270	0.6
220.11774	0.6
223.16879	1.1
235.16904	0.7
241.17996	1.2
251.16376	0.6
255.19580	1.5
271.02521	1.1
299.02060	1.1
300.02664	1.1
335.25867	1.1
369.30087	0.8
371.28159	1.0
392.39352	0.7
415.30627	2.0
417.28473	10.3
418.28983	1.2
431.30096	1.5
442.32260	0.9
459.29462	0.7
460.32813	1.0
472.32816	0.7
477.30356	1.4
592.40515	3.5
593.31726	0.7
634.41437	1.8
652.42700	100.0
653.33118	1.0
653.43042	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	652.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
59.01251	3.1
62.96276	0.6
71.01260	1.5
71.04892	0.3
71.57648	0.5
73.02816	0.4
77.49896	0.2
78.95775	100.0
80.28052	0.3
83.04879	0.5
85.02821	0.6
87.00764	0.6
89.02326	0.6
93.03313	0.7
96.95892	0.4
96.96836	8.9
97.06494	0.5
99.00768	0.3
99.59060	0.3
101.02332	0.6
109.06493	1.4
113.02298	0.5
122.98412	0.8
123.08067	0.4
125.09595	1.0
127.11162	0.6
130.99570	0.3
135.93719	0.3
140.01036	0.6
152.99490	17.4
153.99911	0.3
156.96173	0.3
158.99142	0.3
159.08197	0.3
161.04533	0.4
161.09593	0.3
167.14366	1.7
168.13858	1.6
169.12279	0.4
171.00549	18.9
171.10208	1.3
173.04382	0.3
185.11728	0.8
187.09602	0.3
191.05475	1.1
194.05762	1.3
207.10201	2.8
209.11775	5.6
211.13327	1.4
214.04770	0.3
217.12329	0.9
223.13200	0.3
225.11313	1.4
229.12405	0.4
229.14378	1.8
235.08191	0.5
235.13271	0.3
239.17987	0.3
241.18060	1.6
245.11795	0.6
247.13414	0.8
253.09264	1.0
263.12827	0.9
265.14471	0.5
268.09579	3.2
282.20587	0.6
306.07648	0.5
312.11877	0.5
366.16916	1.5
381.20700	0.3
384.44891	0.3
399.21597	1.0
413.18329	0.3
417.22900	1.4
461.20200	0.5
554.27246	0.4
578.31616	1.3
635.30872	2.2
652.34662	52.4
653.33429	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	652.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83054	0.6
52.17359	0.6
59.01251	31.3
61.98694	1.4
63.22839	0.6
69.47034	0.7
71.01254	3.9
71.58283	0.9
71.58665	0.7
71.97633	0.7
73.02837	1.8
73.45473	0.7
78.95789	1.1
82.56059	0.7
83.01245	1.1
84.14701	0.7
85.02837	1.6
87.00764	1.9
89.02315	1.4
93.03326	2.8
96.95909	4.2
101.02367	1.2
103.00255	1.2
106.06519	4.8
108.02051	0.8
109.02856	1.1
113.02296	0.8
118.98001	0.7
119.04939	0.8
121.02889	0.8
122.06007	2.4
125.02360	0.9
132.04439	1.1
133.02858	1.4
134.03662	0.8
134.06018	17.6
135.04410	1.0
137.02345	2.2
146.06021	0.8
151.00262	3.0
151.03911	1.0
152.00975	0.6
152.07063	1.1
158.05936	0.8
161.02428	0.7
163.03918	1.0
171.00618	0.7
173.04456	2.8
175.66963	0.7
176.01056	0.8
177.01849	3.3
178.99762	3.2
179.03413	1.3
180.00229	1.1
186.05487	1.6
191.05568	5.0
194.08194	1.9
194.92285	0.7
198.52060	0.7
208.81952	0.8
221.07169	1.0
225.10269	2.3
227.03471	1.6
234.07941	0.7
235.08595	3.3
237.10266	4.0
249.06673	1.6
249.10272	2.8
250.07376	7.4
251.08218	1.4
255.02992	2.9
262.07245	1.3
263.08286	4.8
263.11826	0.9
264.08835	1.1
265.09796	10.6
271.02322	2.1
275.08279	1.8
276.09018	2.3
277.09805	8.0
278.06934	6.8
278.09918	1.6
283.02472	0.9
284.03195	2.1
290.06833	1.1
291.07715	3.5
291.11307	2.0
292.08411	1.2
293.09308	41.8
294.09546	4.1
300.02551	3.7
301.03543	1.7
304.08621	1.4
305.09253	10.6
306.09906	2.7
319.10760	4.9
325.11966	1.3
337.08331	1.5
338.08594	0.9
370.15674	1.0
396.13403	1.5
397.14017	0.9
398.15112	1.0
410.15424	1.1
412.16953	3.9
425.13831	1.3
429.51889	0.8
430.12222	1.0
440.16064	6.9
458.17282	1.0
463.08771	4.7
472.18863	1.9
484.15109	2.2
500.18173	11.2
501.18832	1.0
532.20636	1.4
544.17218	100.0
545.17456	14.1
568.84613	0.9
576.19849	17.2
577.20197	2.0
634.18457	1.8
651.40656	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	80.4
69.45201	48.9
69.45607	14.8
71.01231	32.1
73.02814	9.9
80.96394	8.2
85.02820	18.2
89.02323	12.2
90.43964	7.2
96.95879	13.8
101.02301	15.9
109.06471	11.0
109.97073	7.6
113.02301	9.7
125.02259	9.6
125.09561	10.2
137.02374	8.5
163.11095	10.5
171.10129	91.3
173.04413	17.1
191.05568	27.5
207.05022	10.8
207.10208	60.5
209.11734	27.1
225.11259	28.7
253.09157	13.7
273.66348	8.4
335.09503	10.0
372.15005	8.2
397.20322	11.3
415.21243	10.9
593.26691	11.3
597.29181	19.1
608.67273	9.2
615.29846	45.9
616.30261	9.1
639.71436	8.9
651.29791	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	651.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15709	0.5
55.01749	1.1
57.03328	1.0
58.00458	2.6
59.01250	36.9
64.51310	0.4
68.99673	0.8
69.03324	1.9
71.01250	37.1
71.57419	0.9
72.99183	3.2
73.02815	5.6
75.00758	0.6
78.95776	0.9
80.96365	1.5
81.03316	1.5
81.55700	0.6
83.01245	4.3
85.02818	7.7
86.14569	0.5
87.00757	8.5
87.58488	0.6
89.02314	30.3
93.03283	0.7
95.01277	2.9
97.02835	6.6
99.00751	2.1
101.02322	29.1
102.02634	0.6
111.00751	1.0
111.04401	1.1
113.02325	14.9
115.03897	0.6
119.03381	10.4
121.02836	0.6
125.02332	12.2
131.03354	1.7
133.04948	1.1
136.86058	0.5
139.03874	1.5
141.01805	0.7
143.03391	6.4
149.04440	1.5
152.99545	0.8
161.04488	6.0
163.07173	0.5
167.03394	0.6
169.04935	0.6
179.05524	6.5
216.78105	0.5
217.07172	1.1
221.06581	1.9
225.00632	0.8
235.08179	13.8
235.10408	1.0
245.06664	0.9
253.09268	3.5
253.21700	100.0
254.22020	7.6
263.07614	1.9
277.09344	1.1
287.07660	2.3
305.08774	4.2
323.09924	1.2
397.13477	79.6
398.13803	5.1
402.74664	0.5
415.14575	29.9
416.14795	2.1
455.36279	0.6
480.92310	0.5
577.26709	2.1
643.79999	0.7
651.30005	0.6
670.71960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61835	1.5
55.01776	1.1
57.03331	1.5
57.04589	1.2
59.01250	14.8
69.03377	1.1
69.15521	1.1
71.01250	14.9
73.02813	6.9
80.44535	1.1
81.09992	1.2
83.01298	1.6
85.02823	11.8
87.00784	1.9
89.02345	4.7
93.03349	3.5
94.06504	3.9
96.95914	5.7
99.00758	18.0
101.02315	10.6
106.06525	5.4
108.02087	2.3
108.04465	2.1
108.08117	2.9
109.02867	2.7
113.02349	4.4
118.06538	4.3
121.02877	3.7
121.92443	1.2
122.06001	34.5
123.00755	1.4
124.01626	1.6
124.03993	1.5
124.07571	2.9
131.03490	2.6
132.04465	2.5
134.06017	21.4
136.01559	78.7
136.07576	46.1
137.02303	4.0
138.05640	1.5
143.03444	2.9
146.06021	27.7
147.06480	1.3
148.01611	1.2
149.04782	4.2
149.05968	2.0
150.05511	3.5
151.03911	98.4
152.04288	5.5
154.05046	3.8
161.04578	3.4
162.03180	1.6
162.05588	1.5
163.03941	1.6
163.68388	1.2
164.07089	58.9
165.07445	2.2
173.04504	2.6
173.07201	3.8
175.03958	2.5
176.04843	1.6
177.05527	1.8
178.08708	3.5
179.05698	1.6
186.05569	3.6
186.09138	5.8
187.10107	2.2
188.10747	2.0
189.06795	2.0
190.06335	1.4
191.05566	10.5
191.08246	13.9
201.06732	5.0
203.08263	3.7
204.73486	1.3
205.09825	7.3
206.08147	11.4
215.08281	3.9
219.09099	5.8
226.12311	2.1
229.09818	2.0
230.08148	13.4
231.09129	8.9
233.09279	32.0
234.09717	1.8
241.09865	4.7
243.03065	1.8
251.10295	11.7
253.09715	2.8
255.03075	4.6
259.10904	1.9
263.07965	39.0
269.13110	5.1
270.10379	1.9
271.02441	7.0
271.10657	6.3
279.06815	1.5
293.08746	3.6
297.07886	1.8
300.02707	10.3
301.03500	3.1
301.11978	5.9
309.07938	3.7
311.17859	4.4
312.10471	2.4
319.13086	3.4
323.09552	2.2
324.10226	3.3
325.11121	1.4
327.12341	14.0
327.15903	1.5
332.75760	1.4
337.14154	2.3
339.12363	18.3
342.11163	5.0
343.11957	3.0
355.16632	36.4
356.17093	2.8
357.13428	71.1
358.13815	9.0
381.14618	5.2
399.15582	96.9
400.15982	11.0
446.21899	1.4
472.64716	1.5
591.24658	23.7
591.33368	2.2
592.25525	4.5
615.24780	1.4
621.22058	2.9
633.25739	65.5
634.26166	10.1
651.26379	100.0
652.26843	20.6
652.43823	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22644	2.9
57.03320	3.6
58.00462	3.5
59.01251	100.0
59.74624	3.5
61.98869	3.2
64.56654	3.7
71.01256	60.5
73.02818	14.9
83.01273	7.3
83.04913	5.5
85.02841	15.6
87.00768	5.7
89.02310	37.0
96.95874	15.6
99.00774	3.9
101.02318	40.6
112.91489	3.4
113.02323	27.1
119.03407	17.5
123.07988	3.8
131.03381	3.3
137.09605	4.3
143.03406	5.2
161.04425	10.2
165.09085	12.4
174.04755	2.9
177.01837	11.3
179.05522	7.5
191.05536	17.4
205.12230	5.5
230.12335	4.0
243.08368	3.4
361.17484	3.9
382.65894	3.5
385.18661	5.2
403.19785	4.8
424.59073	3.6
503.21252	3.3
547.23950	52.4
548.24542	8.0
565.25079	37.8
566.25519	6.2
607.25787	18.7
608.25720	4.5
658.19873	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	651.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
55.76255	0.8
57.03318	1.1
59.01250	12.3
69.83084	4.7
71.01254	14.0
73.02824	6.7
83.01250	3.0
84.20016	0.8
85.02826	8.3
87.00748	1.3
89.02332	4.5
93.03333	1.9
94.02868	0.9
94.06494	1.3
95.01279	0.9
96.95924	4.0
97.02794	0.9
99.00170	0.9
99.00764	15.6
101.02327	11.9
106.06467	2.8
108.02076	1.4
108.08078	1.6
109.02831	1.3
113.02304	6.2
116.55678	0.8
118.06493	2.0
119.51900	1.0
121.02818	3.4
122.03599	2.7
122.05225	1.2
122.06010	13.7
123.04389	0.8
124.07546	1.7
125.02323	0.8
131.03363	1.3
132.04407	0.9
134.06004	8.6
135.06711	1.1
136.01569	69.4
136.06679	1.2
136.07597	17.8
137.02252	1.9
143.03342	2.4
146.06041	12.6
149.04646	1.1
149.05862	0.8
150.05466	1.5
151.03928	100.0
151.81000	0.9
152.04250	3.1
154.04939	1.4
159.04448	1.0
161.04424	3.1
161.05722	0.8
163.03864	0.9
164.07097	26.8
165.07368	1.6
173.07091	1.3
175.03912	1.0
175.07515	1.7
176.04671	1.9
178.08586	1.6
179.03398	1.7
186.05464	2.1
186.09145	2.4
187.10025	1.5
191.05603	6.6
191.08388	5.5
201.06621	2.0
205.09669	2.4
206.08208	5.2
219.08939	2.6
227.03517	1.0
230.08179	5.5
231.09081	4.4
231.10947	0.8
233.09285	12.7
241.09787	2.3
251.10359	8.1
253.09589	1.2
255.02884	2.3
263.07962	17.7
269.12869	2.6
270.10196	1.5
271.02399	3.3
271.10764	2.9
273.12405	1.1
277.11920	1.3
284.03134	1.3
285.03995	0.8
293.08670	3.3
300.02731	6.0
301.03262	1.3
301.11810	3.5
302.12454	1.3
311.17566	1.9
313.11514	1.0
319.13071	2.3
325.10822	0.9
327.12363	8.3
337.13940	1.5
339.12454	7.0
342.11017	4.5
343.11679	3.5
355.16635	16.6
355.20880	0.6
356.17090	1.2
357.13443	78.3
358.13791	6.1
381.14471	2.7
399.15613	41.2
400.15805	4.2
519.18408	1.6
591.24548	11.6
592.24988	1.6
613.41223	1.1
615.24670	2.0
621.21631	1.9
633.25793	29.6
634.26105	5.9
650.40765	1.2
651.24353	66.5
652.24274	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	651.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53651	0.3
59.01252	1.2
63.02259	0.8
65.00204	0.8
69.23770	2.2
69.24207	1.8
73.02817	0.6
83.01262	0.9
85.02831	0.8
89.02311	0.6
93.03329	0.7
96.95879	2.3
97.83015	0.4
98.19761	0.8
101.02363	0.4
107.01266	1.8
108.02051	1.4
113.02407	0.5
118.96376	0.4
121.02872	0.6
124.01494	0.6
135.00720	0.9
148.01590	1.3
151.00272	5.4
153.01799	0.5
163.00305	1.4
169.01404	0.5
173.04495	0.6
178.99820	3.2
187.03885	0.8
191.05609	2.1
198.03047	0.4
199.03940	1.1
200.04427	0.3
211.03886	1.1
211.40819	0.4
215.03535	0.7
216.04190	0.6
226.02615	1.0
227.03439	13.3
228.03873	1.2
229.04996	0.8
239.03221	0.6
243.02962	10.8
243.11931	0.4
244.03351	0.9
254.02197	2.2
255.02966	43.9
256.03485	4.1
256.59320	0.4
257.04544	1.3
271.02472	55.2
272.02945	4.4
283.02451	1.2
284.03262	24.0
285.03961	8.7
286.04306	0.4
299.01886	2.8
300.02750	100.0
301.03262	11.4
331.80847	0.5
340.80444	0.4
412.96182	0.4
471.09369	0.7
489.10175	0.7
505.09818	0.5
609.14923	3.4
610.15204	0.5
650.41888	0.9
651.15649	65.2
652.16052	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	651.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71231	0.3
59.01234	0.9
62.80240	0.2
63.02253	0.4
65.00191	0.5
69.27604	2.7
71.01254	0.5
73.02792	0.4
83.01251	0.3
84.37149	0.3
85.02838	0.5
96.95877	0.6
99.00774	0.5
107.01259	1.0
108.02052	1.0
119.78900	0.2
122.05994	1.1
124.75555	0.3
128.83368	0.3
134.06033	0.4
135.00734	0.5
136.01563	1.5
136.07561	1.2
146.05986	0.6
148.01579	1.1
151.00285	2.9
151.03891	2.2
154.05035	0.3
163.00319	0.7
164.01054	0.5
164.07069	2.1
171.90494	0.2
173.07161	0.3
178.99782	3.4
187.03856	0.4
191.08124	0.7
193.73425	0.3
199.03917	0.7
203.03503	0.4
206.08087	0.5
211.03937	0.5
215.03400	0.6
226.02686	1.2
227.03444	2.5
228.03833	0.4
230.07982	0.6
231.08940	0.5
233.09227	1.1
243.02960	9.8
244.03464	1.1
251.10349	0.4
254.02173	2.0
255.02956	23.8
256.03296	1.3
263.08011	1.1
271.02460	50.9
272.02972	4.7
273.03830	0.5
299.02075	2.4
300.02719	100.0
301.03247	10.2
301.11603	0.5
306.79477	0.4
339.12411	0.3
354.47293	0.3
355.16541	1.4
357.13388	2.1
358.13776	0.3
399.15613	2.9
463.22742	0.3
487.08377	0.4
505.09702	0.6
591.24658	0.8
609.14685	1.5
615.24664	0.4
633.25598	2.5
634.25922	0.3
651.15637	47.6
651.25714	3.4
652.15894	7.1
652.26410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47957	0.3
59.01228	0.9
63.02274	0.6
65.00208	0.8
69.65150	0.3
69.89281	0.7
69.89696	1.1
73.02814	0.3
83.01271	0.8
85.02827	0.8
93.03332	0.9
96.95889	2.8
98.19838	0.4
99.00752	0.5
101.02319	0.5
105.82208	0.3
107.01257	1.3
108.02000	0.3
109.02840	0.5
111.00797	0.3
117.03362	0.9
122.88007	0.3
125.02319	0.6
129.01843	0.6
151.00282	3.4
159.04402	1.0
161.02354	0.8
162.05524	0.4
164.01068	0.6
169.01347	0.8
178.99789	0.5
179.03362	0.3
183.04411	3.6
185.02299	0.4
187.03894	0.5
191.05533	1.0
193.01518	0.3
198.73817	0.3
207.05083	4.2
211.03920	4.2
213.01852	0.4
226.02710	0.4
227.03424	4.3
228.03922	0.5
232.77257	0.3
235.02873	0.3
239.03432	0.4
243.02924	1.1
251.10414	0.3
254.02168	0.6
255.02959	61.5
256.03360	3.9
271.02512	5.4
271.10977	0.4
272.02872	0.7
282.02023	0.4
283.02460	100.0
284.03064	15.8
285.04001	9.3
286.04312	0.3
299.01959	0.3
300.02710	8.3
301.03268	1.3
303.09067	0.3
305.10693	0.3
327.05115	0.5
339.12280	0.7
399.15390	0.5
443.09631	0.9
446.08569	6.4
447.09274	3.5
482.18979	0.5
489.10284	4.0
490.10477	0.3
537.06512	0.3
615.22083	0.3
650.41217	0.5
651.15625	78.3
652.15967	10.2
652.26404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.4
59.01256	12.4
63.02300	1.2
65.00188	2.9
71.01250	3.8
71.04927	1.3
71.44133	1.0
72.57233	1.0
73.02816	2.9
83.01264	1.6
83.04923	1.2
85.02821	3.0
87.04375	1.6
88.03873	1.3
89.02312	2.4
93.03352	2.0
95.01273	2.5
96.95905	6.0
98.19270	1.2
101.02342	1.7
106.06477	1.1
107.01269	2.7
108.02062	1.9
108.08060	1.3
109.02824	1.8
109.99998	3.9
111.00834	1.2
111.04398	1.4
113.02297	1.3
119.23019	0.9
121.02858	1.1
122.05983	3.4
123.00845	1.8
125.02338	1.4
126.30686	1.0
131.06958	1.6
134.03629	1.3
134.06055	1.4
135.00775	2.1
135.04373	2.3
136.07527	1.5
136.98706	1.2
137.02347	1.5
137.99458	1.7
139.00255	3.6
143.04858	1.6
148.03987	2.0
150.05537	3.8
151.00290	9.0
151.03879	1.6
152.01100	2.6
155.04909	1.1
158.94402	1.0
159.04433	2.3
163.00333	1.4
164.07050	1.3
165.98991	5.4
166.99754	2.4
169.01346	1.1
171.04428	3.8
173.02400	1.3
173.04477	1.4
178.99788	4.9
183.04443	3.0
187.03961	2.9
189.05434	2.9
191.05540	5.2
193.01422	1.4
193.98419	1.5
197.02299	1.1
198.03136	2.6
199.03976	4.5
200.04559	1.5
211.03993	2.6
215.03508	2.6
216.04227	1.6
226.02640	3.2
227.03459	14.8
228.04022	2.5
229.05034	2.5
229.26018	1.4
239.03436	1.4
243.02945	17.4
244.03619	2.4
254.02206	4.8
255.02965	51.6
255.11417	3.4
256.03412	5.8
257.04495	3.3
271.02463	58.9
271.14594	1.9
272.03140	20.7
273.03723	3.1
282.01654	2.2
283.02466	20.7
284.03247	6.6
285.04059	11.6
299.01978	4.7
300.02725	100.0
301.03400	21.9
355.16922	1.1
399.15924	1.5
432.19028	1.7
448.18582	1.6
489.10703	2.6
571.68683	1.1
607.33356	3.5
609.14673	2.5
615.24677	2.6
633.14984	2.0
633.25452	3.0
650.41284	21.4
651.15704	91.5
651.26019	5.0
651.40942	8.2
652.16290	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	651.1564
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
51.14897	0.5
51.39874	0.5
59.01235	1.3
69.54165	1.1
69.54578	3.1
71.01248	1.6
73.02823	0.8
84.61734	0.5
93.03355	0.6
96.95901	2.9
98.19790	1.1
117.03333	0.9
121.58666	0.6
151.00237	3.1
156.06262	0.5
159.04367	0.6
178.99661	0.6
183.04442	3.1
187.03925	0.7
211.03938	2.8
214.02657	0.7
227.03438	6.7
228.03676	1.0
239.03540	0.6
243.97713	0.5
255.02963	48.0
256.03339	4.1
283.02460	100.0
284.03094	15.2
285.04028	32.1
286.04364	1.9
297.04013	1.7
303.09061	1.1
327.05060	1.3
429.07709	0.7
446.08508	17.8
447.09140	4.3
489.10367	41.0
490.10541	3.9
531.11462	3.1
539.73993	0.6
547.23676	1.1
565.24988	1.3
632.74811	0.6
651.15613	32.7
652.15826	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	650.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80482	0.4
57.03309	1.5
59.01252	10.1
65.00190	0.5
68.49464	0.4
69.64801	1.2
69.65214	2.1
70.02845	0.6
71.01251	3.0
71.04888	1.7
72.04387	0.5
72.99187	0.6
73.02823	3.7
75.00756	0.5
76.30993	0.5
78.46173	0.4
78.95772	0.7
83.01248	0.8
83.04875	2.5
85.02826	3.6
86.02353	1.1
87.00742	1.2
87.04384	3.7
88.03933	4.3
89.02327	1.4
93.03331	2.1
95.04889	1.7
96.95900	6.0
97.06485	1.1
99.04366	1.0
99.08038	0.7
100.03904	1.9
101.02302	1.4
101.05986	1.1
107.01260	1.2
109.02841	0.7
109.06483	2.1
109.34885	0.5
111.04394	0.8
111.08027	1.4
113.02296	1.0
113.05959	1.0
113.09621	0.7
119.04865	1.1
120.99544	0.6
123.08030	1.2
124.05230	0.7
125.02382	0.7
125.05998	0.6
125.09614	0.8
129.09061	0.9
131.07034	7.3
133.10001	0.5
134.03654	1.3
135.04404	0.9
137.02309	1.7
137.09598	0.6
139.11180	0.5
141.09111	0.7
143.03494	0.5
143.07024	1.8
145.02831	0.6
151.00276	2.9
151.03824	0.6
152.01062	0.6
155.03302	0.6
155.10658	1.7
157.08655	0.6
160.09711	3.1
161.02370	0.5
161.04527	0.6
163.11179	1.2
164.04578	0.5
169.01244	0.8
169.12186	0.7
173.04434	2.3
175.02353	0.6
177.01869	1.1
178.99796	2.9
179.03308	0.6
183.13814	1.2
184.09682	0.8
191.05554	7.5
192.05991	0.6
192.12320	1.1
193.01378	0.9
193.04971	0.8
207.04996	0.8
220.11821	0.7
223.16972	0.9
235.17018	0.7
237.18689	0.6
250.07219	1.6
255.02924	0.8
255.19783	0.5
271.02356	0.6
285.04208	0.6
287.09558	0.8
300.02792	0.6
303.23337	0.7
315.23315	0.7
316.32605	0.5
351.25351	1.8
367.28534	0.8
395.28082	0.9
396.27612	0.7
397.25800	2.4
411.27365	0.9
413.28873	1.5
415.26941	4.4
417.28708	0.7
429.11481	1.3
443.39795	0.5
447.07278	2.1
457.28091	0.8
462.30643	0.6
475.28854	1.1
492.31528	1.7
525.15320	1.9
526.77856	0.5
572.38190	2.3
590.39380	0.6
606.32446	1.0
613.30872	0.6
632.40308	2.8
633.18250	1.8
633.40204	0.8
650.41199	100.0
651.14832	1.3
651.41614	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	647.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.3
57.03335	0.8
58.00497	0.8
59.01250	6.5
62.73587	0.1
69.03352	0.3
69.23603	1.3
69.24022	0.6
71.01250	4.8
71.04919	0.2
72.99205	0.4
73.02821	1.4
80.02541	1.0
81.03312	1.5
83.01264	0.9
83.04894	3.9
84.02071	0.8
85.02824	1.6
87.00735	0.8
87.04411	0.3
89.02315	3.4
91.03888	0.2
93.03366	0.4
95.01275	0.4
95.04904	1.0
96.95914	0.9
97.02811	1.1
97.06505	0.4
99.00749	0.2
99.04401	0.2
101.02317	4.1
104.03423	0.3
106.06573	0.2
107.01321	0.2
107.04942	0.2
108.04455	0.2
109.02845	0.3
109.06501	0.4
111.04412	0.3
111.08075	0.2
113.02329	2.0
119.03394	0.8
121.02857	0.2
122.03632	0.3
123.04430	0.3
123.08109	0.2
125.02375	0.5
125.06011	0.7
125.09615	4.1
127.11179	5.2
133.02829	0.2
134.06044	0.4
135.04430	0.5
135.08060	0.6
137.02328	1.3
137.09642	1.1
139.03941	0.5
139.11191	0.8
140.23352	0.2
143.03416	0.7
145.04955	0.5
149.04451	0.2
151.00272	0.9
151.03929	0.3
153.01880	0.2
153.09109	0.3
155.10701	3.0
155.11844	0.3
157.04965	0.2
157.12262	0.4
159.04361	0.2
161.02377	0.4
161.04478	2.1
163.11209	3.6
165.01860	0.3
165.09126	2.4
165.12785	1.8
166.02705	0.3
169.01393	0.2
171.10179	3.0
173.04506	0.6
177.01805	0.2
178.99773	0.9
179.03453	0.7
179.05524	0.7
181.12245	0.5
183.10175	0.8
186.09177	0.2
187.09659	0.3
191.03967	0.2
191.05547	1.3
191.10695	0.7
199.09685	2.6
201.11263	100.0
202.06343	0.2
202.11589	4.2
202.13399	0.3
204.04330	0.2
207.05142	0.2
207.10190	0.2
209.11772	94.4
210.12122	4.2
219.06625	0.2
220.07338	0.4
221.11909	0.4
223.13541	0.3
225.11333	0.2
227.12854	10.3
228.13087	0.5
235.08154	4.0
236.08607	0.2
239.12741	0.6
244.07364	0.4
253.09273	17.3
254.09630	0.6
257.92938	0.2
259.09595	0.3
303.08740	5.8
304.09091	0.4
327.08499	0.3
331.22577	0.3
339.12103	0.2
365.23053	0.3
375.21716	2.0
379.08002	0.2
392.35461	0.2
393.22809	1.8
405.17477	0.5
409.13196	0.2
411.23715	0.6
419.19052	0.3
437.20322	2.0
445.20642	1.1
463.20944	0.2
469.29486	0.2
611.30322	0.6
615.16547	0.4
616.16418	0.2
629.21570	0.2
629.31635	0.4
647.23737	0.9
647.35413	0.4
648.22821	0.2
648.39716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90371	0.4
54.66606	0.5
57.03315	1.1
59.01248	48.6
60.01580	0.7
67.50134	0.4
69.03327	0.4
71.01252	4.7
71.08204	0.4
71.57473	0.8
71.98980	0.5
72.99187	0.4
73.02814	6.8
80.96391	1.0
81.90420	0.5
83.01250	8.5
85.02826	1.8
85.63511	0.5
87.00739	1.3
89.02343	0.5
93.03343	4.8
96.95897	5.1
97.06480	1.0
99.04380	1.5
101.02327	4.2
108.02056	0.6
109.02832	1.1
113.02319	1.3
113.51740	0.4
119.04913	1.2
121.02850	2.7
121.06458	0.4
122.03622	7.9
123.04380	1.6
125.02303	1.3
133.02840	0.9
134.03606	0.7
134.24585	0.5
135.04427	1.4
136.01549	1.1
137.02348	1.0
143.03371	0.8
145.02831	0.9
149.02330	3.6
149.09499	0.6
150.03125	67.7
151.00206	0.7
151.03818	4.2
153.01836	1.1
161.04468	0.6
163.03947	1.4
165.05479	100.0
166.05821	4.1
167.10713	2.2
168.11079	0.4
173.04433	2.1
175.03897	0.5
180.04247	1.0
191.05577	4.2
197.13556	0.5
199.06046	0.5
207.04878	0.5
207.13821	1.1
209.11810	4.4
213.07590	4.7
223.13245	0.5
225.14925	3.9
227.12822	25.5
228.13141	1.7
233.11667	1.1
251.12904	1.6
269.13904	5.7
287.15009	9.9
288.15320	0.7
296.88434	0.4
296.96719	0.6
311.14929	1.2
329.15915	0.6
347.75705	0.5
353.15985	0.5
371.17160	1.2
413.18329	0.9
431.19229	7.2
432.19290	0.6
601.21326	0.6
627.26630	3.3
628.26233	0.6
645.19177	2.0
645.27637	54.0
646.18439	0.8
646.28143	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	645.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42049	1.4
56.56320	1.5
59.01243	4.7
67.43201	1.2
69.60210	8.4
80.96379	1.6
85.02825	1.7
85.36978	1.7
88.98695	2.0
91.30572	1.2
93.03301	2.3
96.95878	7.0
107.01228	2.1
121.02789	1.4
151.00249	3.7
169.01355	1.9
178.99821	1.8
191.05531	4.0
211.04047	2.2
217.62947	1.4
227.03435	27.3
229.05090	2.3
243.02956	2.8
255.02959	55.6
256.03568	6.6
257.04501	3.2
265.84088	1.6
271.02463	20.5
272.02872	1.6
279.96634	1.4
284.03250	72.4
285.03976	34.9
286.04355	3.1
289.09506	1.4
300.02722	40.8
301.03265	5.5
435.91388	1.3
444.52417	1.3
512.34930	1.4
565.93060	1.6
609.14545	100.0
610.14850	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	644.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16359	0.7
55.01750	1.1
57.03316	1.1
58.00465	1.4
58.85820	0.6
59.01252	74.0
60.01577	0.9
61.98693	1.9
66.04785	0.6
66.49728	0.6
67.13263	0.7
69.03322	1.8
69.08342	0.6
70.93116	0.5
71.01254	47.4
71.04891	3.0
72.01598	0.8
72.99197	1.9
73.02820	53.1
74.03159	0.8
75.00729	1.0
78.95791	1.0
79.95621	1.1
80.96397	3.3
81.03322	0.8
81.20471	0.5
83.01258	15.7
83.04896	1.2
85.00294	0.6
85.02831	6.0
85.57084	0.6
87.00747	2.5
89.01815	0.8
89.02318	9.3
93.03336	1.7
95.01264	1.8
95.04900	0.8
96.95898	6.1
97.02843	1.7
97.06506	1.3
99.00761	1.8
101.02326	45.1
102.02679	0.9
109.06516	0.8
111.04411	1.1
111.08066	0.9
113.01610	1.2
113.02335	12.6
114.09155	1.4
115.07545	7.9
115.76863	0.6
119.03374	3.7
122.06016	0.7
125.02357	3.2
131.03397	2.6
135.04404	1.1
143.03392	3.2
149.04437	2.5
151.27414	0.6
155.03426	1.5
155.10675	1.0
156.10199	6.0
158.11778	7.7
161.02373	0.8
161.04472	8.4
163.11264	1.0
165.12752	3.2
171.10226	1.8
172.10443	0.6
173.04477	2.4
179.03448	0.7
179.05511	0.8
179.27885	0.6
183.13803	0.9
191.05598	4.0
191.07037	0.7
195.17451	1.9
197.11754	6.4
198.12135	4.0
199.09644	2.2
201.11235	1.5
203.05592	0.8
207.10205	0.9
209.11763	11.5
209.96690	0.6
210.12045	3.6
219.17531	1.7
225.00661	1.1
225.11279	1.1
227.12840	8.5
228.13216	0.7
235.08159	0.8
237.18500	4.8
237.22418	0.7
239.16498	1.5
241.14352	0.7
253.09265	1.3
263.16495	0.8
281.17569	5.0
281.20688	1.0
306.20734	1.0
324.21872	1.4
339.51669	0.7
422.29019	1.7
431.19437	1.4
503.24860	1.5
528.28027	2.4
546.28857	3.1
584.34576	2.7
602.35284	3.8
609.26978	1.6
644.36584	100.0
645.23865	3.4
645.36859	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00488	0.6
59.01244	6.3
61.96006	0.4
61.98712	0.4
63.62278	0.5
69.03333	0.9
71.01256	4.9
71.57550	0.8
72.99193	0.6
73.02831	1.0
78.95784	0.8
79.95631	1.8
80.02575	1.2
80.94494	0.4
80.96402	2.7
81.03349	1.2
82.95996	0.9
83.04899	4.3
84.02042	0.7
85.02852	2.1
87.00766	1.4
89.02322	2.6
93.03358	1.7
94.97948	0.6
95.04881	0.9
96.95884	5.0
97.02864	0.5
97.06467	1.1
98.95481	0.8
99.47514	0.5
101.02310	3.3
109.02871	0.5
111.00656	0.5
111.04397	0.6
113.02335	2.0
119.03349	1.0
122.97399	0.7
123.08064	0.5
125.02360	0.9
133.02864	0.8
135.04434	0.6
135.08070	0.6
139.03915	2.5
153.09157	0.9
153.12767	0.9
155.03383	0.5
161.04456	1.2
163.11192	3.5
165.12782	1.8
169.12268	6.3
171.10162	2.2
173.04466	2.4
173.96590	0.5
177.01823	0.5
179.05582	0.5
179.10696	0.6
191.05525	5.8
191.10699	0.8
197.11760	100.0
198.12115	5.0
201.11258	1.7
207.10153	0.6
209.11768	88.0
210.12077	5.5
223.13327	2.5
225.00739	0.7
226.00989	0.5
227.00366	0.5
227.12857	13.6
228.13155	0.9
235.08228	3.8
235.13277	1.5
253.09239	9.1
270.01718	0.5
299.02023	0.7
329.21283	0.5
351.60773	0.4
361.24203	0.5
389.23276	0.7
407.23972	0.5
425.23416	0.8
433.20889	3.9
445.20636	0.8
451.21167	1.2
469.21600	0.7
471.15311	0.8
473.15442	2.1
513.10889	0.5
607.31531	1.0
625.32031	0.5
643.25281	0.8
643.34357	0.5
645.42999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	26.0
69.26376	29.4
69.26800	12.7
71.01255	19.4
73.02807	6.1
80.32492	3.9
83.04903	8.5
87.00787	5.3
89.02324	15.0
96.95901	28.8
101.02324	17.0
115.72060	4.1
119.03343	6.9
125.02341	5.7
127.11156	5.2
163.11205	4.7
184.92740	3.9
195.06593	5.5
196.62560	4.6
201.09319	4.9
201.11256	100.0
207.06558	4.2
209.11748	90.4
210.12125	8.0
227.12933	26.1
235.08165	8.7
283.17535	4.4
295.89777	4.2
305.10736	23.5
319.26276	4.0
397.13495	49.7
415.14493	46.4
423.68906	4.4
484.09995	4.2
548.63843	4.4
599.25909	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	643.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00950	0.6
59.01249	8.6
61.98706	0.5
67.01762	0.8
69.24087	0.5
69.24422	3.9
71.01249	2.8
72.99184	0.5
73.02829	1.2
78.95786	0.4
79.05421	0.4
85.02836	1.2
85.15633	0.3
87.00730	0.9
89.02305	1.1
93.03351	1.5
95.04885	0.4
96.95891	7.5
98.20567	0.7
98.22591	0.3
99.85928	0.4
101.02331	1.3
106.06511	0.5
107.03700	0.4
108.04439	0.9
109.02868	0.7
110.59858	0.3
111.00735	0.4
111.04426	0.6
113.02325	1.3
114.02725	0.4
118.97974	0.7
119.03371	0.3
120.01134	0.4
120.04436	2.2
121.05240	2.3
122.06003	8.2
125.02377	0.4
132.04445	12.5
133.02914	0.5
133.04810	0.7
134.03587	0.7
134.06029	3.0
135.04407	2.5
135.06783	1.0
136.04793	0.4
136.07579	10.3
137.02347	0.9
137.07893	0.7
144.04422	0.6
149.02411	0.3
150.05556	0.6
150.06776	0.3
151.00243	0.5
151.03860	0.8
152.01111	0.3
152.03421	0.4
152.07097	5.4
155.10669	0.8
161.02336	0.5
161.07097	1.0
162.03169	0.6
162.05501	1.1
165.05486	0.4
171.11696	1.7
172.07632	0.4
173.04506	2.1
175.03963	0.6
176.03448	5.0
177.01865	0.4
178.99771	0.5
179.03416	1.5
180.03793	0.5
182.52499	0.4
183.10245	0.4
186.09167	0.7
188.03505	0.6
191.05548	4.0
198.09169	1.9
199.09970	1.6
205.97601	0.4
207.05019	0.7
209.11778	0.7
210.56262	0.4
213.06691	0.4
214.07382	0.8
214.12305	10.8
215.12610	0.9
225.06537	0.5
226.07396	0.9
227.08253	2.4
228.08727	0.8
229.09801	3.8
230.11858	3.9
237.10353	0.3
239.11784	0.4
241.09785	9.7
242.08018	0.7
242.10550	15.2
243.10956	1.2
253.13225	0.4
253.91228	0.4
255.03036	0.8
255.11551	0.4
256.12152	1.1
257.12924	84.6
258.13275	7.1
267.11441	0.4
283.11035	0.8
297.12387	1.7
298.13028	0.4
300.02701	0.6
300.11124	0.7
301.11920	100.0
302.12277	8.2
303.13596	0.5
341.11429	10.1
342.11871	0.7
447.09171	0.8
449.14612	0.5
481.74203	0.4
520.20605	1.0
581.24158	0.5
599.25037	2.5
600.25037	0.6
643.28058	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	643.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37482	0.3
53.88159	0.3
59.44564	0.3
69.44978	1.0
69.45405	1.2
73.53947	0.3
76.00758	0.3
79.95610	1.0
86.84287	0.3
88.40897	0.3
96.95888	100.0
97.95801	0.2
98.19807	0.6
112.43256	0.2
133.27159	0.3
134.40385	0.3
265.96063	0.3
305.10635	53.2
306.10947	3.6
350.66583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.2
67.01780	0.7
69.34989	3.5
70.02844	0.4
71.01264	0.7
73.02839	0.4
80.96374	0.4
83.04842	0.4
90.88749	0.3
95.04944	0.5
96.95887	1.7
101.02331	0.5
103.65977	0.4
104.04963	0.7
107.03666	0.7
108.04444	0.4
108.33745	0.4
120.04446	2.3
121.05240	1.7
122.06006	13.3
132.04446	20.3
133.04802	0.5
134.06006	3.3
135.04434	0.5
135.06830	1.1
136.07584	12.0
144.04411	2.8
148.07593	0.7
152.07072	13.6
153.07359	0.5
161.07159	1.0
162.05493	2.0
171.11710	2.6
173.04482	0.7
176.03445	21.5
177.03775	1.0
186.09184	0.7
188.03491	2.1
191.05534	0.9
198.09213	2.0
199.09930	1.9
214.07394	0.8
214.12306	11.5
225.85509	0.5
226.07433	1.1
227.08237	2.7
228.08842	1.4
229.09749	5.3
230.11804	4.5
239.11807	0.5
241.09789	8.1
242.08080	0.8
242.10553	16.3
243.10919	0.8
255.11314	1.0
257.12930	83.0
258.13275	6.0
283.10870	2.4
297.12366	1.1
301.11920	100.0
302.12238	8.0
312.45978	0.4
341.11398	43.2
342.11700	3.8
351.60144	0.4
500.40588	0.4
507.47629	0.4
527.23047	0.8
555.26184	0.5
599.25146	3.9
600.25055	0.8
601.32220	0.5
618.44281	0.4
643.28375	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	641.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.5
59.00987	0.6
59.01246	4.3
61.98704	5.1
63.17745	0.5
63.96113	1.1
67.01780	0.7
69.03328	0.7
71.01250	12.8
71.20446	1.4
71.58006	0.6
72.99155	0.8
73.02820	2.2
75.00725	0.6
78.98463	7.1
79.95605	70.5
80.96388	83.5
81.03332	1.4
83.01245	1.2
83.04896	0.8
85.02816	5.4
87.00745	4.0
89.02331	0.9
93.03329	4.3
94.79035	0.7
94.97958	20.1
95.01250	0.8
96.95891	20.8
97.02834	2.6
99.00767	1.7
99.04372	0.7
101.02325	4.3
106.30624	0.6
106.97973	3.9
109.06466	1.4
111.04411	1.1
111.94608	1.8
113.02304	1.1
122.97462	7.2
125.02328	4.5
127.03898	1.6
134.97501	5.4
136.99078	2.9
140.58803	0.6
146.97470	0.8
148.99048	7.5
152.98517	9.3
155.03349	0.8
161.04448	1.5
163.11212	0.9
164.97253	1.1
164.98549	15.1
167.00041	0.7
171.10162	6.2
173.04483	6.7
173.05861	1.0
179.00040	1.4
182.99594	3.4
191.05566	7.3
197.11823	4.1
199.09654	1.2
201.11296	1.1
206.99625	5.2
207.10208	4.8
209.11800	3.1
211.13376	4.2
223.13388	0.9
225.00693	33.1
225.11238	4.1
241.00093	2.9
243.01790	3.6
253.09129	1.5
253.12360	0.6
265.63449	0.6
275.44110	0.7
299.04449	7.0
315.04123	0.8
317.05762	0.9
371.06448	1.8
385.08038	0.9
399.09610	1.4
427.12692	1.6
441.14117	1.4
449.19864	0.7
461.20325	0.7
471.15393	100.0
472.15732	8.1
499.18918	6.0
525.16107	0.8
527.18054	12.7
528.17999	1.5
543.17432	2.7
559.96667	0.6
623.30792	1.8
641.24725	36.4
642.25385	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	641.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05482	0.6
59.01241	2.2
68.31750	0.6
69.67719	4.3
71.01246	1.1
77.78633	0.7
79.95602	1.6
85.02805	1.3
87.00755	0.7
89.02319	1.2
93.03353	0.8
96.95888	100.0
101.02323	1.2
102.15056	0.6
109.02776	0.6
117.15620	0.6
132.48082	0.7
137.02304	0.8
139.00168	0.8
151.00262	1.6
151.61218	0.6
155.10654	0.9
167.64824	0.7
171.10172	2.0
173.04587	0.7
178.99728	1.6
191.05531	7.4
193.03215	1.5
194.63188	0.7
225.11302	1.2
227.03520	0.9
271.02496	3.6
272.03116	0.7
287.02042	0.8
288.02704	0.8
299.01950	4.3
303.09061	55.7
304.09433	4.3
316.02200	8.4
317.02930	3.0
378.36035	0.8
397.13681	1.2
413.55219	0.7
458.30231	0.7
559.76788	0.7
559.94128	0.7
641.13574	8.1
642.13843	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	641.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68992	0.6
54.91529	0.6
59.01245	2.4
60.21957	0.6
63.88287	0.5
71.01237	1.9
71.56940	1.1
73.02821	0.7
79.95611	1.5
83.01229	0.7
83.78220	0.5
85.02819	1.0
88.30491	0.6
89.02291	0.7
96.95887	100.0
97.52551	0.6
101.02309	0.9
109.99990	0.8
113.02305	0.7
127.55537	0.8
138.43715	0.6
139.00256	0.7
151.00243	1.7
152.72054	0.6
155.10681	0.9
166.99628	0.7
171.10138	1.6
178.99768	0.7
191.05507	4.0
199.03906	0.9
199.09744	1.0
214.34686	0.6
225.11281	1.4
231.03271	0.7
243.02991	1.1
270.49710	0.7
271.02423	4.8
272.03043	1.3
285.21954	0.6
287.02002	1.6
294.29550	0.7
299.01932	5.0
303.09061	71.5
304.09229	5.2
316.02243	7.6
317.02945	2.7
378.43048	0.6
397.13617	1.9
523.20258	1.0
596.02441	0.8
641.13617	7.1
641.23737	1.1
642.14191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.4
59.01251	13.3
61.23731	1.2
61.97379	1.0
63.02266	2.8
65.00182	6.4
67.01754	1.0
68.99688	1.6
69.03340	1.3
69.47655	3.4
69.48075	5.6
69.84095	1.0
71.01249	11.5
72.99181	1.0
73.02811	2.5
79.43619	1.0
81.03350	1.1
83.01260	3.8
85.02824	2.9
87.00748	3.1
87.04396	1.6
87.34163	1.1
87.78532	0.9
89.02315	3.0
93.03316	1.3
95.01260	4.6
96.95901	3.9
96.99247	1.0
97.02837	1.5
98.20650	1.2
99.00748	4.4
101.02344	3.4
107.01275	9.1
108.02053	1.1
108.80143	1.0
109.02827	7.9
109.99997	1.7
111.00782	5.9
113.02357	2.4
119.04910	1.4
121.02810	2.6
123.00774	7.2
124.01604	1.8
124.98692	3.8
125.02326	4.3
131.04890	1.7
133.02847	4.4
135.00798	1.3
135.04440	2.2
136.98595	1.0
137.02348	2.1
137.99483	1.6
139.00262	7.6
139.03854	1.3
141.01811	1.4
143.04860	2.1
145.02852	2.2
147.04387	1.7
148.01581	2.5
149.02359	5.3
149.99461	3.1
151.00266	21.5
152.01053	5.9
153.01819	3.9
153.98949	1.2
154.99750	2.3
155.10672	4.2
157.01364	1.0
157.02814	1.5
159.04477	4.9
161.02341	4.9
161.04442	1.5
163.00272	5.0
163.03903	2.4
164.01013	1.9
164.98174	2.2
165.01796	1.6
165.98987	1.8
166.99779	3.8
168.00558	2.6
169.01410	5.2
169.02602	1.1
170.03615	1.5
171.04433	3.2
173.02354	2.2
173.04430	1.3
174.03076	1.9
175.00282	1.5
175.03883	5.4
176.01035	1.2
177.01828	4.5
177.98976	5.2
178.99773	25.7
181.12213	2.3
181.98532	2.4
185.02318	1.3
186.03194	1.6
187.00272	1.7
187.03938	8.7
189.01823	6.2
189.05405	1.9
190.02554	2.1
191.03432	2.7
191.05566	7.1
192.00562	2.5
193.01353	4.2
194.99249	2.1
197.11714	3.1
198.03009	1.4
199.04016	6.7
199.09695	3.6
199.13310	3.2
201.01865	3.8
202.02573	2.5
203.03400	10.4
204.04033	3.7
205.01352	2.4
205.05046	1.5
206.18933	1.2
206.99271	3.2
207.02989	1.4
207.10179	4.4
209.00822	7.2
213.01913	1.8
214.02512	3.2
215.03496	9.3
217.01376	2.8
217.04919	1.2
219.02864	2.2
220.03606	1.3
222.98772	3.2
225.11305	8.4
227.03455	3.9
229.01361	4.3
230.01990	1.9
231.02986	8.3
232.03699	6.3
233.01024	1.4
233.04349	6.0
241.01367	2.5
242.02185	4.8
243.02959	19.1
243.12354	4.1
244.03465	2.6
245.00943	2.5
245.04451	3.0
246.01697	1.1
247.02237	2.7
248.02834	1.2
253.01408	1.7
255.02879	3.7
257.00919	2.2
258.01642	4.8
259.02475	11.0
260.03125	3.2
261.03989	1.6
269.00977	3.3
270.01572	2.5
271.02463	37.1
272.02936	4.7
273.04156	1.3
286.01230	5.4
287.01959	45.3
288.02628	10.6
289.03391	4.6
297.00397	8.6
298.00909	2.0
299.01935	17.7
300.02670	13.8
301.03510	11.1
304.01981	1.5
314.00671	3.5
315.01440	100.0
316.01840	10.9
317.02930	4.7
332.01688	10.6
333.02530	6.8
397.13156	1.9
406.62054	1.2
463.08585	4.0
489.12424	2.0
496.60007	1.1
501.12357	2.8
505.11667	2.5
523.20557	2.5
529.12408	2.6
537.32587	4.9
541.15399	4.0
555.33496	1.4
569.15198	3.4
595.12860	1.7
597.14563	5.0
613.14240	2.5
623.12622	10.2
623.25537	4.8
624.14117	1.3
641.13593	37.0
641.26324	18.6
642.13715	5.1
642.27002	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	640.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94947	2.1
55.79844	1.8
59.01250	77.4
61.98698	6.1
69.35470	9.8
69.35894	7.4
71.01251	6.1
73.02816	3.3
73.41300	1.8
74.68421	1.8
78.95792	3.0
80.45450	1.8
80.96363	2.8
83.01260	2.6
85.02810	7.2
87.00754	3.0
93.03326	14.9
96.95319	1.9
96.95867	10.2
101.02311	7.1
103.00238	3.1
104.47591	1.9
106.06523	11.2
109.02827	5.3
111.04404	2.2
113.02274	3.8
119.04888	4.3
122.06002	7.8
125.30651	2.0
129.75520	1.9
131.55487	1.8
134.06007	54.3
135.04411	7.1
137.02336	14.7
140.00610	1.8
152.07076	6.8
163.03952	3.2
173.04494	6.4
175.07501	2.0
177.01819	7.4
179.03447	3.9
187.07339	2.3
191.05556	21.0
199.09715	2.1
207.04964	2.9
223.08607	2.7
225.06815	2.2
225.10196	4.5
227.03471	2.0
229.10014	2.1
234.31081	2.1
237.06584	2.3
237.10303	7.0
251.08226	11.0
252.08745	2.0
253.09752	9.3
257.12857	13.4
263.08221	3.1
264.09003	4.2
265.06088	7.8
265.09720	6.2
266.06982	14.1
271.02634	3.4
277.06235	4.3
278.07028	9.9
279.07642	7.5
279.11227	2.7
280.08405	6.2
281.06635	8.5
281.09299	78.3
282.09540	6.6
284.08011	2.0
292.08365	2.7
293.09354	56.3
294.09827	6.9
301.11984	16.0
307.10910	13.6
313.11880	8.7
384.12570	2.1
384.17184	4.6
385.14011	2.3
395.51147	2.2
400.16687	11.0
428.16196	20.0
446.17426	2.6
460.18909	14.8
488.18237	100.0
489.18469	16.6
504.17645	3.2
520.20831	37.4
521.21088	8.0
522.18835	3.6
532.17267	59.0
533.17883	11.4
564.19843	98.5
565.20221	14.8
640.22327	3.5
641.24048	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	640.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	1.9
59.01251	80.3
61.98692	4.0
71.01257	6.5
71.57841	1.9
73.02795	3.5
78.95780	1.4
79.14335	1.1
81.03359	1.1
85.02815	4.8
86.76714	1.2
87.00769	2.6
87.04385	2.7
89.02316	3.1
93.03343	7.9
96.95879	6.8
99.00756	1.3
101.02337	2.9
103.00246	2.5
106.06509	8.5
107.03649	1.5
108.15982	1.3
109.02824	2.6
111.04408	1.4
113.02311	2.0
116.92716	1.4
119.04870	1.9
122.06015	6.7
131.04410	1.1
134.03641	2.0
134.06012	64.3
135.04391	3.9
135.06390	2.4
137.02304	5.0
146.05992	1.4
151.00177	2.7
152.07091	5.7
161.02327	1.4
162.05598	1.6
163.03876	1.5
165.05484	2.0
167.03447	1.6
171.10217	1.3
173.04486	6.7
175.02429	1.6
177.01855	1.4
178.99631	1.4
179.03423	1.3
190.05037	2.8
191.05553	13.5
191.07140	1.9
194.08131	4.3
204.06638	1.5
207.04968	1.5
210.07739	1.3
211.08492	1.7
213.10204	3.5
216.80180	1.3
222.07860	2.5
225.06660	1.5
225.10243	3.4
227.82552	1.2
229.00850	1.2
234.07918	1.9
235.08617	1.7
237.06615	3.0
237.10297	14.7
238.08836	1.7
238.10791	1.3
239.08221	1.9
239.11685	1.9
249.10287	4.6
250.08687	1.5
251.08255	7.2
252.08981	3.6
253.09874	9.6
254.10562	2.1
261.10339	1.9
263.08212	2.9
263.11832	1.5
264.05566	1.6
264.09030	2.2
265.06235	6.7
265.09747	8.5
266.07010	13.6
266.09894	2.4
267.11319	1.9
277.06439	2.3
277.09900	2.8
278.06946	8.2
279.07632	4.8
279.11206	4.1
280.08466	5.5
281.09320	66.3
282.09641	6.5
284.08133	1.9
285.04242	1.5
291.07724	3.3
292.08484	4.4
293.09305	42.9
294.09772	4.4
295.10754	2.8
300.02682	1.6
307.10797	9.6
308.11307	1.4
313.11923	11.7
323.10248	1.6
325.11948	4.6
326.12686	2.3
339.13525	4.4
340.14124	1.8
356.17838	1.5
357.15857	1.4
360.17181	2.0
360.25977	1.5
370.11624	1.4
373.25656	1.4
384.17154	5.0
386.15207	2.2
397.13965	2.0
400.16748	8.6
401.16943	1.6
413.13913	3.5
428.16125	25.1
429.16061	2.4
432.19052	1.9
444.19388	2.4
446.17264	1.4
460.18756	33.3
461.19144	4.9
472.15085	1.5
478.19760	2.2
488.18268	52.3
489.18649	8.1
492.21542	11.4
504.17825	3.7
520.20874	79.4
521.21118	9.6
532.17267	27.2
533.17609	4.7
552.23523	16.4
553.23761	4.3
564.19861	100.0
565.20190	15.1
596.22668	13.9
596.31848	2.2
597.22784	2.5
639.33850	4.9
640.24219	2.2
640.34357	11.6
641.25433	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	639.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	1.5
57.03319	4.5
58.00455	2.1
59.01251	33.5
60.62638	1.5
61.51466	1.4
61.98708	9.8
65.03838	2.8
69.24084	16.3
71.01258	29.5
72.99187	3.7
73.02831	6.5
73.44459	1.6
78.95779	4.5
81.03336	3.5
83.01228	3.8
83.04893	10.4
85.02821	9.5
85.06463	3.3
87.00761	10.3
89.02319	13.4
93.03347	4.4
94.97966	1.7
95.01276	4.1
95.04943	2.3
96.95895	3.0
97.02840	2.1
97.06463	5.2
98.19775	3.6
99.00741	2.7
101.02314	18.9
102.21052	1.4
105.06988	2.3
106.06525	3.8
108.02089	2.0
109.06483	5.0
111.08030	9.6
113.02359	12.5
119.03396	3.2
119.04900	2.0
123.08046	3.0
125.02360	3.0
125.09614	15.8
127.11212	1.9
133.02859	1.9
134.06239	2.0
135.04431	1.7
135.08022	1.9
137.09607	2.8
145.04999	6.0
150.05473	2.5
151.11203	2.2
152.99550	2.7
161.04492	5.2
163.11183	1.7
171.10179	84.2
172.10561	2.8
173.04492	4.0
183.13765	2.0
185.11792	4.3
187.09763	1.7
191.05627	3.9
197.11804	1.8
201.12848	2.4
205.14038	1.6
205.15921	7.0
209.11774	20.9
211.13338	15.8
215.14375	10.9
221.15453	2.9
231.13919	6.3
233.15440	37.0
234.15868	2.5
235.08224	16.6
249.14935	45.1
250.15300	3.3
253.09299	6.8
279.11295	2.9
281.34415	1.7
301.17865	1.7
341.24908	6.8
359.25775	3.7
367.22736	4.9
367.92365	1.7
375.25491	6.3
377.26825	2.1
385.23889	32.9
386.24310	4.4
396.36920	1.8
403.24890	60.9
404.25296	7.4
407.19016	2.5
421.25928	20.3
422.26318	2.6
432.15747	1.8
485.24341	4.5
563.23206	7.1
607.22186	3.8
611.34784	3.5
621.32800	100.0
622.33038	17.3
639.26196	4.5
639.34149	63.2
640.34735	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	638.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28172	0.2
57.03323	0.3
57.38152	0.2
58.40237	0.2
59.01250	7.1
60.97707	0.2
60.99167	0.3
61.98699	0.9
62.96275	0.3
67.01746	0.4
71.01244	1.4
71.04886	0.9
71.58329	0.3
73.02819	0.3
74.59555	0.2
76.74889	0.2
78.95774	100.0
85.02827	0.6
87.00749	0.6
88.03929	0.3
89.02328	0.4
93.03332	1.6
96.95910	1.6
96.96843	5.4
101.02285	0.4
108.02005	0.2
109.02799	0.2
110.02367	0.3
113.02333	0.3
115.07539	3.4
121.02844	0.4
122.06010	0.8
123.06799	0.7
127.11193	0.6
133.02826	0.4
134.03566	0.3
135.04407	0.8
136.04730	0.3
137.02364	0.4
152.00980	0.2
152.99527	1.2
155.03413	0.3
161.04457	0.2
163.07603	0.2
165.12779	0.5
169.12250	3.6
171.00551	57.1
172.00894	1.2
173.04480	1.4
174.04832	0.5
177.01764	0.2
178.02547	0.3
179.03426	0.3
179.05434	0.2
183.13826	11.7
184.14082	0.7
185.11807	2.2
191.05559	1.7
194.15346	0.6
197.15369	0.7
208.16972	0.5
209.11809	0.4
227.12947	0.4
238.14450	1.7
239.16502	0.8
245.11586	0.4
245.13925	5.0
246.14285	0.3
252.16029	4.8
264.19614	0.5
278.13998	0.5
299.18637	11.4
300.18875	1.0
306.20816	0.7
312.65488	0.2
324.21805	1.1
350.19696	1.0
368.20770	2.0
466.28036	4.4
467.28458	0.7
638.24988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14793	0.2
55.51959	0.2
57.03309	0.2
59.01246	2.1
61.98691	0.5
62.96299	0.3
71.01266	1.1
71.04892	1.3
71.23071	0.2
73.02808	0.3
76.60930	0.2
78.95776	100.0
80.96378	0.2
83.04884	0.4
85.02813	0.5
87.00753	0.3
89.02302	0.3
93.03341	1.0
94.64018	0.2
96.95919	1.5
96.96839	5.4
101.02363	0.3
106.06506	0.2
109.02847	0.3
111.08068	0.4
115.07525	1.2
119.04842	0.2
121.02840	0.3
122.06004	0.8
125.02338	0.2
133.02872	0.8
134.03481	0.4
134.05963	0.3
135.04407	0.5
137.02362	0.4
151.00302	0.5
152.99500	0.8
161.04552	0.2
163.11285	0.2
165.12762	1.7
169.12251	2.9
171.00557	71.1
172.00928	1.3
173.04430	1.5
177.01831	0.8
178.02472	0.7
178.99777	0.3
179.03214	0.5
183.13835	0.5
191.05554	1.7
209.11771	5.3
210.12112	2.0
211.16901	0.4
213.18666	0.3
227.12848	10.4
228.13193	0.7
238.14450	0.3
239.16475	0.4
245.13911	1.8
252.16069	0.6
257.17557	2.8
267.11533	0.3
271.02582	0.3
296.15030	1.9
299.02005	0.3
299.18640	12.8
300.02670	0.6
300.18964	1.0
301.03574	0.8
306.20709	0.3
324.21799	0.6
350.19788	1.1
368.20822	1.4
422.29340	0.2
464.20264	0.3
466.28058	2.9
467.28415	0.5
518.19513	0.3
565.24750	0.3
638.32678	0.8
639.25140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	38.3
61.98686	1.4
63.52596	1.1
64.27163	1.3
66.55373	1.2
70.80698	2.6
70.81032	2.1
71.01251	72.6
73.02808	4.7
81.03316	4.2
83.04877	3.9
85.02813	5.3
85.46156	1.3
87.00758	1.9
88.03150	1.2
89.02337	6.9
95.01302	1.6
95.04908	1.5
97.02824	7.5
97.06469	1.4
99.00760	2.6
99.12360	1.2
101.02319	13.1
109.06475	37.8
110.03577	1.8
111.04395	1.2
113.02321	3.6
119.03379	3.1
121.06428	1.9
125.02345	1.3
125.09615	1.8
127.11193	1.3
129.01942	1.3
135.08037	5.5
142.02576	1.7
142.76399	1.2
150.35454	1.2
155.10718	1.3
161.04434	4.1
161.09639	1.9
163.11172	20.9
165.09128	1.2
171.10197	12.1
179.05496	1.7
179.10605	1.4
181.12210	5.8
185.11597	2.8
189.09132	2.8
191.32944	1.5
195.68753	1.2
197.11674	2.0
199.09758	3.0
201.11269	6.3
207.10201	100.0
208.10471	6.1
209.11787	13.0
211.13486	1.3
217.00208	3.0
225.11267	58.0
226.11589	3.8
243.12306	3.9
253.09276	25.1
299.15143	2.6
357.10611	1.5
401.23251	1.4
461.20215	22.5
462.21027	8.0
619.30957	1.9
637.31995	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	637.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25960	0.9
57.16247	0.9
59.01241	2.0
64.92152	0.9
71.01250	6.1
71.54255	0.9
78.95758	2.8
78.98453	3.9
79.95591	7.0
80.96387	48.3
85.02811	2.4
87.00698	1.5
94.97963	13.2
96.51936	0.9
97.02809	1.9
101.02299	2.1
106.97931	2.0
116.92757	2.1
122.97460	3.8
125.02304	2.2
127.03790	1.3
134.97459	3.4
148.99026	4.3
152.98500	7.5
152.99420	1.3
164.98538	9.3
182.99709	1.1
206.99602	3.3
209.11668	1.1
210.82397	1.0
224.98651	1.5
225.00702	16.0
255.23265	3.4
265.42322	1.0
299.04474	7.0
361.96948	1.1
381.03232	1.2
555.28400	100.0
556.28613	15.5
637.27240	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	635.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	35.4
61.98695	0.8
68.44180	0.8
69.96987	0.8
71.01256	3.0
72.99169	2.3
74.32243	0.8
74.68280	0.8
78.95769	1.1
79.95638	0.7
81.03347	1.3
83.04883	3.4
85.02819	1.7
87.00751	0.9
88.98652	2.3
89.02314	1.2
91.00222	1.3
95.04903	0.8
96.95879	1.0
109.06461	0.9
133.02834	0.9
135.08049	1.3
163.11203	1.9
165.12819	1.7
171.10179	8.9
173.04486	1.8
173.18193	0.8
175.75127	0.8
191.05458	3.1
191.10640	1.4
207.10123	1.1
209.11766	100.0
210.12090	5.5
211.13208	1.1
227.12840	9.7
247.13309	1.8
260.62601	0.9
275.31290	0.9
303.03162	0.8
366.15479	0.9
399.21552	1.2
435.33521	1.3
475.26535	1.4
493.27740	2.0
575.35699	1.4
616.35876	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	635.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36301	2.4
61.98686	2.9
63.16466	2.4
78.95779	23.8
108.43933	2.2
152.99487	28.5
161.87419	2.3
171.00505	2.9
171.10182	100.0
172.10512	3.7
199.86671	2.1
200.40451	2.2
245.28322	2.3
249.10797	2.3
253.21750	24.5
258.64542	2.8
277.35934	2.2
307.09515	3.3
359.84723	2.4
399.14255	74.9
400.14691	6.5
461.55832	2.7
635.35626	20.4
636.36353	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	635.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60695	1.0
59.01247	21.7
64.35545	1.2
71.01234	7.2
71.57987	1.5
73.02801	1.8
75.66456	1.1
78.07560	1.1
83.01263	1.7
84.04434	1.2
85.02822	3.3
89.02309	5.3
93.03355	1.8
96.95885	11.8
97.02856	1.2
101.02350	5.4
104.47323	1.3
108.04453	3.1
110.06004	1.4
113.02322	4.1
116.92764	1.3
119.04873	1.3
120.04441	1.3
122.05995	6.7
124.07624	1.7
125.02351	1.3
134.06035	7.3
135.06729	1.5
136.07573	3.0
138.05522	2.2
139.06245	1.2
140.07056	11.6
146.06013	8.7
147.06827	1.4
149.04741	3.8
151.00246	2.5
152.07115	1.8
161.04489	2.0
162.05519	7.0
164.03448	2.8
164.07079	4.8
165.04063	1.1
166.05006	2.0
169.85461	1.1
173.04532	2.4
178.04982	1.2
178.11981	1.1
179.05746	3.0
191.05597	3.8
212.10670	6.3
213.10277	3.1
225.06583	1.7
226.07343	6.8
226.12315	14.2
227.03484	2.0
227.08215	38.2
227.11902	3.8
228.08684	1.3
229.09712	2.1
230.52594	1.2
233.69162	1.2
239.08286	3.1
240.09026	8.7
241.09773	54.1
242.10423	9.6
243.07617	1.2
243.11301	3.2
253.09834	2.2
254.10680	5.8
255.02954	2.1
255.11363	29.4
256.11627	2.4
259.10999	1.4
261.12375	3.2
269.12936	49.9
270.10379	2.0
270.13480	6.0
271.11127	2.8
271.14481	5.4
272.08008	2.4
273.12408	4.4
284.03220	1.5
284.11697	2.0
285.04022	2.5
285.12473	4.9
286.09445	1.8
301.11969	8.0
303.13437	14.8
313.11899	13.4
314.12576	8.9
315.13483	10.5
316.10669	1.9
364.16614	2.9
366.14651	5.0
378.18295	2.0
380.16092	7.7
381.16788	3.9
394.17712	6.2
408.15167	6.2
411.02563	1.5
422.17068	4.5
438.16638	1.6
452.18027	1.5
453.19064	20.4
454.19553	6.5
473.03088	1.4
531.24701	4.8
549.25385	2.6
575.25079	35.5
576.25232	5.0
589.26898	1.3
593.15002	1.6
599.25708	3.3
617.26117	100.0
618.26447	17.4
635.17426	1.4
635.26965	28.4
636.16064	3.0
636.27429	5.9
636.36743	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	635.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72006	2.1
55.01751	3.3
57.03314	4.4
58.00462	4.0
59.01250	100.0
59.68067	2.4
61.04397	2.5
70.97451	6.6
71.01254	69.9
72.99164	4.6
73.02815	24.6
83.01255	8.3
85.02818	25.1
87.00723	5.8
89.02317	36.1
95.01260	6.9
95.55544	2.1
96.95889	15.9
99.00742	2.5
100.66135	2.2
101.02319	38.6
102.89008	2.1
113.02331	56.0
119.03382	12.7
124.01519	2.2
125.02362	3.4
127.90955	2.1
137.09586	3.7
143.03378	6.7
161.04471	17.7
179.05507	7.9
191.05525	6.5
200.65660	2.3
217.77142	2.2
256.89603	2.4
301.33368	2.0
303.08981	3.3
369.18961	6.8
387.20386	4.3
531.24506	74.4
532.24994	11.6
549.25452	46.9
550.25885	5.8
591.18146	2.6
591.26215	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	635.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	7.4
60.50957	1.4
61.74430	1.1
69.25339	12.6
71.01250	3.5
73.02801	1.3
73.23176	1.0
85.02807	2.3
89.02329	2.6
93.03345	3.3
96.95879	11.3
98.95467	1.5
101.02302	2.4
108.04449	2.4
110.06033	1.5
122.05991	7.2
134.06039	6.5
135.04427	4.4
136.07596	2.6
137.02357	3.5
138.05498	1.2
140.07059	10.1
146.06035	11.6
147.06866	2.5
148.07600	1.7
149.04689	3.5
150.05513	3.2
152.07074	2.3
153.04399	1.1
162.05515	6.0
164.03438	2.2
164.07056	4.2
166.05008	3.2
166.72252	1.1
167.05701	1.8
173.04448	3.4
179.03380	2.0
179.05737	4.2
181.05321	2.0
187.08734	1.1
190.07391	2.3
191.05565	5.2
212.10869	6.1
213.10307	3.8
215.11826	1.4
225.10278	1.4
226.07446	6.0
226.12367	14.4
227.08205	37.9
227.11908	3.9
228.08684	2.4
229.09822	1.5
239.08301	2.2
240.08875	8.2
241.09782	58.2
242.10487	15.4
243.11247	4.6
253.09795	4.4
254.10522	3.3
255.11369	32.2
256.11606	1.7
259.10907	1.4
261.12451	1.6
267.11420	1.5
268.11847	1.3
269.12943	53.2
270.10361	2.0
270.13467	6.1
271.10910	4.1
271.14526	9.4
272.07883	2.7
273.12534	8.2
281.06592	3.3
285.12396	6.4
286.09625	2.5
286.12726	1.7
301.11951	5.4
303.09515	2.3
303.13452	14.7
313.11911	14.8
313.72134	1.4
314.12653	9.0
315.13477	11.9
316.10742	1.5
364.16791	2.4
366.14594	3.9
378.18338	1.9
380.16022	9.2
381.16919	4.2
383.52914	1.3
394.17624	7.9
395.18433	1.4
408.15463	9.6
410.20807	1.3
417.11700	1.8
422.17215	4.4
438.16827	3.0
453.18964	20.3
454.19815	5.2
575.25085	31.7
576.25409	5.0
589.26581	1.5
599.25134	2.5
617.26129	100.0
618.26379	18.3
635.17328	2.8
635.27057	28.0
635.36279	2.1
636.27252	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	635.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.6
65.68562	1.1
66.29356	1.2
67.98131	1.0
71.01257	6.8
71.56660	2.6
73.02790	1.2
78.95773	4.9
78.98451	4.5
79.95614	7.3
80.96389	53.1
85.02819	2.8
87.00726	3.2
94.97961	11.4
96.95916	1.6
101.02313	3.3
105.71117	1.1
106.97983	2.9
122.97448	4.1
125.02348	3.7
134.97462	3.7
138.12296	1.3
138.91016	2.0
148.99048	5.4
152.98512	5.4
164.98544	10.1
171.10133	1.3
172.10307	1.2
182.99619	1.8
206.99608	4.0
225.00699	18.9
243.01733	1.5
277.21780	1.9
299.04327	3.7
356.98959	3.4
374.77957	1.4
397.24304	1.3
577.26874	100.0
578.27045	14.1
635.22400	4.9
635.31543	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	635.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14879	0.3
59.01242	1.1
63.02261	0.5
65.00185	0.6
73.02822	0.3
83.01264	0.5
93.03308	0.3
96.95877	0.7
101.02306	0.5
106.49578	0.3
107.01258	1.3
107.24473	0.3
111.00058	0.3
123.89333	0.3
132.02074	1.3
135.00775	0.8
136.01529	0.4
151.00273	2.3
151.03879	0.4
163.00327	0.7
164.01108	0.6
169.01370	0.4
178.99785	1.8
183.04445	1.5
184.04997	0.3
185.02367	0.6
187.03983	0.6
189.05478	0.6
191.05647	0.3
199.03944	0.5
200.04655	0.5
209.00714	0.3
211.03915	1.8
212.04535	0.4
227.03439	43.0
228.03802	2.4
229.05011	1.0
239.03503	0.6
240.04071	0.4
255.02957	75.7
256.03476	7.7
257.04425	1.3
269.04446	0.4
283.02493	2.1
284.03241	100.0
285.03845	14.4
286.04367	0.6
292.85971	0.3
326.04733	0.4
327.04990	0.7
357.13004	0.4
387.23822	0.6
471.09549	1.5
473.10828	0.6
489.10510	0.6
575.14270	0.4
593.15070	0.5
634.37958	0.4
635.16144	64.5
636.16327	7.2
636.26093	0.6
639.02478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13371	0.2
53.26838	0.2
57.03306	0.2
59.01249	4.4
60.74575	0.3
61.16935	0.2
61.98688	0.4
63.02251	0.5
65.00205	0.6
67.01796	0.3
71.04898	0.3
71.57387	0.2
72.99184	0.5
73.01546	0.2
73.02812	1.3
75.00734	0.4
78.95744	0.4
79.95628	0.4
83.01255	0.7
85.02834	1.2
87.00743	0.7
89.02298	0.8
93.03322	1.3
95.01251	0.3
95.04913	0.2
96.95895	8.8
98.95483	0.3
99.00768	0.3
101.02315	2.1
102.01891	0.2
107.01276	2.1
109.02821	0.3
113.02325	1.1
115.00248	0.2
116.92733	0.3
117.03338	0.4
119.03377	0.4
119.04916	0.7
121.02866	0.4
124.01531	0.2
125.02311	0.3
125.72102	0.2
132.02032	1.4
135.00797	1.0
135.04407	1.0
137.02319	0.9
141.01860	0.3
143.03351	0.4
143.04897	0.3
145.02837	1.0
151.00276	3.0
152.00980	0.4
153.01808	0.5
160.03935	0.3
161.04472	0.7
163.00279	0.9
163.03923	0.5
163.30516	0.2
164.01065	0.5
169.01364	0.8
173.04521	0.6
177.01796	0.3
178.99785	2.0
179.03377	0.3
183.04443	1.2
185.02431	0.4
185.06003	0.4
187.03853	0.8
188.04976	0.3
190.99779	0.4
191.05505	1.8
199.03851	0.6
199.77629	0.2
200.04671	0.5
207.04814	0.3
211.03879	1.9
211.07634	0.2
213.01831	0.4
213.05406	0.4
227.03436	38.8
228.03871	2.7
229.05066	1.7
239.03458	1.0
241.04968	0.3
242.94168	0.3
255.02954	74.0
256.03427	7.1
257.04440	1.6
269.12854	0.3
283.02432	1.7
284.03244	100.0
285.03864	15.6
286.04337	0.8
327.04962	0.4
369.09766	0.6
381.05869	0.3
387.24008	0.8
411.07080	0.5
413.09714	0.3
429.08069	0.5
461.10587	0.3
471.09128	0.3
515.25079	0.9
519.16693	0.3
533.26270	0.6
575.13843	0.6
575.27020	0.3
591.30432	0.4
593.15063	8.7
594.15430	1.1
617.15063	0.7
634.36066	0.8
635.16138	53.6
636.16357	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	635.1615
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
53.40390	0.2
55.27744	0.2
59.01236	0.6
63.02259	0.3
65.00220	0.3
69.58046	1.2
75.17242	0.2
93.03335	0.4
93.43019	0.2
96.95866	0.2
98.19787	0.5
107.01254	1.3
114.23938	0.2
132.01976	1.2
135.00737	0.8
141.16362	0.2
151.00290	2.2
154.04126	0.3
163.00290	1.0
164.01007	0.4
169.01335	0.3
171.04346	0.4
178.98413	0.3
178.99718	1.4
183.04456	1.2
185.02321	0.4
185.05986	0.4
187.03909	0.7
194.52319	0.3
199.03885	0.5
211.03993	2.2
213.02049	0.3
213.05510	0.6
227.03448	39.0
228.03835	2.3
229.04985	1.7
239.03499	0.9
240.04234	0.3
241.05013	0.4
255.02954	71.5
256.03488	6.9
257.04520	2.1
275.12631	0.3
283.02423	2.2
284.03247	100.0
285.03891	19.2
286.04361	0.8
309.04144	0.4
327.05231	0.5
367.10776	0.3
411.07022	0.7
471.09509	1.2
473.10797	0.3
474.40158	0.3
489.10562	0.3
542.52838	0.3
575.13098	0.5
593.15033	0.8
614.03503	0.3
635.16144	54.9
636.16479	7.8
636.27368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88986	0.9
57.03304	3.5
59.00988	1.4
59.01253	15.7
61.98666	1.7
63.02267	6.0
65.00193	7.8
67.01761	0.9
69.03303	0.9
71.01259	6.7
71.01586	1.1
71.57834	0.9
71.58312	1.0
72.99185	1.5
73.02802	2.9
78.95788	1.1
79.95585	1.3
83.00836	1.2
83.01251	8.8
83.04916	1.0
85.02802	2.7
87.00750	1.9
89.02318	2.8
93.03323	4.2
95.01248	1.7
96.95888	18.2
99.00719	1.0
101.02306	3.3
107.01270	21.5
109.02856	1.4
109.90410	0.9
111.00750	1.9
113.02319	2.2
116.92787	1.3
122.06015	1.9
124.01496	4.9
124.07577	1.4
125.02337	15.6
128.03377	2.1
133.02870	1.3
135.04343	2.6
137.02341	3.1
141.01813	1.2
143.04524	3.7
147.04446	1.1
148.03946	2.3
149.05971	1.1
150.04169	1.1
150.05470	1.6
151.00275	74.5
152.01067	17.3
152.07063	1.1
153.01833	6.6
155.10657	1.5
157.08453	0.9
160.00577	1.2
161.02324	1.7
161.04378	1.0
163.07515	1.8
169.01326	17.7
171.10190	8.3
173.04419	4.0
173.05937	3.2
175.03903	2.3
177.01820	3.7
178.99780	100.0
180.00079	3.8
187.03874	0.9
187.07567	0.9
189.05444	3.0
191.03804	1.7
191.05423	6.3
193.01268	2.0
199.07506	1.4
200.04655	2.0
201.05341	1.1
201.11197	1.6
203.72705	0.9
204.55188	0.9
205.05014	2.0
209.11734	1.7
215.07042	11.8
216.07640	1.7
217.08531	4.3
225.11192	1.7
227.06984	1.5
231.06502	3.3
241.04898	1.6
243.02930	1.9
243.06648	1.3
250.13292	0.8
253.05031	2.2
255.02861	2.1
255.11388	2.1
257.12979	1.1
267.06604	1.3
270.01868	2.3
271.02792	6.7
271.05881	6.6
271.10724	1.1
272.02887	1.9
285.03925	1.5
295.02368	1.2
295.05963	1.0
296.03152	1.6
297.04129	1.8
297.07562	1.8
299.01749	2.6
300.02710	8.0
301.11823	2.8
306.07617	9.5
309.04233	1.1
311.05515	2.8
313.06970	1.5
322.04779	1.1
325.03580	1.4
325.07108	6.8
327.04803	1.2
339.05106	2.1
339.08792	2.2
341.06561	1.7
342.07257	3.0
343.08090	1.2
351.08542	1.5
353.06470	2.8
367.08084	4.5
368.08630	1.4
369.09683	1.6
379.08124	3.2
385.09204	12.9
385.22104	1.7
386.09409	1.2
395.07956	1.4
396.08401	3.0
397.09247	20.6
398.09525	1.9
399.10840	2.3
413.09070	1.0
428.11279	4.2
429.11877	46.2
430.12125	5.2
451.69296	0.9
464.17996	2.0
517.59882	0.9
529.30743	1.1
559.14319	1.3
571.25061	3.0
573.30951	1.1
589.32458	2.0
591.17151	5.5
601.15765	5.1
615.24280	3.5
633.18091	100.0
634.18427	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	633.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07175	0.5
59.01247	5.3
65.80988	0.4
69.26154	4.2
69.26563	0.7
71.01246	2.0
71.04900	0.5
79.24500	0.5
85.02824	0.9
87.00762	0.7
89.02332	0.8
96.95887	5.7
99.00748	1.3
101.02329	1.5
111.95538	0.5
113.02334	0.8
125.09603	1.6
145.02814	0.4
151.00261	1.8
158.03622	1.7
161.02371	1.9
163.11160	1.2
169.01431	0.6
170.03619	0.9
171.10181	9.9
172.01535	1.1
173.04440	0.7
174.03059	0.8
178.99750	1.1
181.12193	0.7
185.02510	0.6
186.03149	6.9
187.09682	0.6
189.01823	1.7
191.05490	1.7
198.03123	2.2
199.03743	0.6
199.13257	0.6
201.11096	0.7
207.10153	2.5
209.11758	2.0
213.01862	1.1
214.02660	16.8
215.03065	1.1
216.00581	1.0
218.02069	1.2
225.11278	4.0
226.02579	0.7
241.01382	27.1
242.02161	44.3
243.02629	2.9
243.12267	0.9
245.00888	19.3
246.01224	1.4
255.03053	0.9
269.00851	0.6
270.01685	54.2
271.02289	7.9
273.00372	1.7
280.40811	0.5
293.20715	0.6
295.84186	0.6
298.01169	28.4
299.01889	6.2
300.02554	0.8
309.04056	0.7
339.08499	0.6
342.04190	0.6
367.08051	0.9
371.11237	1.0
380.05246	0.5
396.08435	8.6
397.09195	5.0
399.10757	1.1
428.11075	15.5
429.11716	3.2
461.19818	0.4
479.21414	0.6
601.15674	5.9
602.16022	0.9
632.40167	1.5
633.18201	100.0
633.30408	6.6
634.18616	15.2
634.28790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.1
59.01248	11.7
60.93276	0.6
61.98697	1.1
62.92646	0.7
69.03313	0.6
70.77673	0.6
71.01245	4.0
73.02811	1.2
83.01273	1.0
83.04897	1.1
85.02824	1.4
87.00727	1.6
89.02311	1.5
93.03318	1.8
96.95892	3.2
97.02825	1.2
97.06465	1.0
98.20632	1.6
99.00790	1.0
101.02327	2.2
109.02855	1.1
113.02336	1.7
119.03351	0.7
125.09633	2.5
133.02835	1.0
135.04344	1.4
145.02777	0.7
147.04462	0.6
148.87422	0.6
151.00223	1.7
155.10648	0.9
157.74199	0.6
158.03622	2.1
161.02328	1.9
163.11214	1.3
170.03659	1.0
171.10173	9.1
172.01556	1.1
173.04480	1.5
178.99814	1.2
182.16818	0.7
186.03143	7.5
187.09700	1.2
189.01854	1.2
190.02721	1.1
191.05557	3.9
192.00546	1.0
198.03133	2.8
199.03891	1.1
199.09793	0.7
201.11220	1.0
202.02351	0.8
207.10274	1.0
209.11725	3.7
213.01982	0.7
214.02650	20.8
215.03163	1.4
216.00581	0.9
217.01427	0.9
218.02132	1.1
225.11247	3.2
226.02686	1.0
241.01373	27.4
242.02153	47.1
243.02560	4.9
245.00879	21.3
246.01372	1.7
253.09270	1.2
270.01678	61.2
271.02374	20.0
272.02963	1.0
273.00381	1.6
295.06165	1.4
296.90640	0.8
298.01193	24.8
299.01886	9.6
300.02603	1.2
339.08640	1.6
357.10693	0.7
367.08194	2.9
368.08856	1.0
371.11319	1.3
396.08438	12.0
397.09229	5.8
399.10565	1.2
428.11102	16.2
429.12360	3.3
504.08914	1.2
513.30408	1.0
531.31360	1.1
601.15643	6.9
602.15643	0.9
632.40607	1.0
633.18207	100.0
633.30322	5.5
634.18420	18.3
634.31281	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	629.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.9
58.92863	0.7
59.01250	63.3
60.01552	0.9
71.01253	6.4
72.99178	1.8
73.02824	8.8
83.01252	11.6
85.02811	3.6
87.00743	1.9
88.98685	0.7
89.02313	1.1
93.03345	4.4
96.95886	6.5
97.06463	1.2
99.04355	1.1
101.02330	6.9
103.91927	1.0
109.02837	1.4
109.06516	1.2
111.00755	1.2
111.04415	1.0
113.02326	2.6
121.02843	41.0
122.03686	2.1
122.06060	0.8
123.04395	1.8
125.02331	1.9
129.01845	0.9
134.03668	0.9
135.04407	6.8
137.02330	1.5
143.03433	1.5
149.02304	1.0
151.00314	1.5
153.01845	1.3
155.03261	0.7
157.03757	0.8
161.02194	0.8
163.03871	1.5
163.07585	0.7
164.04697	100.0
165.05113	5.0
165.12761	1.1
167.10683	1.5
173.04488	2.0
177.05533	1.1
179.03467	2.2
179.07054	51.6
180.07385	2.3
182.05779	3.5
183.06598	2.0
189.04057	1.0
191.05536	8.9
197.08128	19.7
207.05125	4.8
207.13791	1.9
209.11717	4.8
225.14929	6.4
227.12825	39.1
228.13287	1.5
233.11801	2.4
251.07312	0.9
251.12915	2.9
269.13968	7.1
275.09158	0.9
287.14984	14.1
288.15344	1.0
295.06412	4.1
299.05960	3.0
301.03342	1.3
311.14941	1.5
329.16122	1.3
341.06885	11.1
342.07370	1.1
353.08841	1.8
355.64426	0.7
413.18661	1.0
431.19235	8.4
567.24579	1.0
611.27069	6.0
612.27942	1.1
629.28186	76.6
630.28571	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	627.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82634	0.9
59.01250	5.4
61.00417	0.7
71.01262	3.4
71.57669	1.3
78.95787	3.0
79.88042	0.9
79.95605	2.3
85.02827	2.1
89.02327	1.2
93.03320	1.9
95.04922	1.1
96.95891	100.0
96.96775	4.1
133.02863	1.6
137.02272	0.9
147.79578	0.9
171.10181	1.6
173.04500	2.4
179.03391	1.1
191.05502	2.4
192.01466	0.8
197.11729	1.6
200.91362	0.8
209.11781	3.7
211.13329	1.6
225.11409	1.2
253.09238	1.7
291.03989	3.2
293.21262	3.0
309.20584	1.0
351.06143	4.3
354.09897	2.5
383.42786	0.9
515.19928	1.0
600.88403	1.0
624.80603	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	627.269
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
57.03325	0.5
59.01028	0.4
59.01256	4.1
62.18546	0.4
63.96107	1.4
64.98084	0.4
65.63400	0.3
66.09335	0.4
69.03313	0.5
71.01254	7.8
71.58056	0.5
72.99184	1.0
73.02821	2.6
78.13622	0.4
78.95773	1.2
78.98465	4.9
79.95604	13.8
80.96391	61.5
81.03333	1.0
83.01260	0.5
83.89407	0.4
85.02824	4.6
87.00738	3.3
89.02325	0.8
93.03336	2.0
94.97962	14.1
95.01235	0.5
96.95872	3.5
96.96849	0.5
97.02831	2.5
99.00777	0.7
101.02321	3.7
106.97964	2.5
109.02835	1.3
111.04446	0.4
113.02330	1.0
119.04886	0.5
122.97473	5.6
123.04424	0.6
125.02333	4.1
127.03888	1.0
134.03616	1.0
134.97488	4.5
135.04413	10.5
136.99034	1.7
137.02309	1.1
148.99052	5.4
150.03117	0.9
151.00162	0.4
152.98521	7.4
152.99554	0.4
153.01779	0.6
161.04544	0.4
163.03845	0.4
164.98546	11.8
164.99957	0.6
165.05475	1.0
171.10161	1.1
173.04485	2.6
179.00102	0.5
179.03404	9.1
182.99617	2.9
191.05524	7.9
195.06525	0.4
195.67868	0.4
203.03387	0.5
206.99632	3.2
207.04942	1.1
209.11787	0.4
211.04161	0.5
211.13335	0.7
225.00691	21.6
226.01056	0.6
243.01675	2.0
255.02715	0.5
267.06616	0.8
275.84253	0.5
283.02551	0.9
285.12466	1.2
295.02451	0.4
296.11868	0.4
299.04517	3.2
317.05475	0.6
325.44461	0.5
327.21619	0.8
365.14117	0.9
391.11792	0.7
406.04803	0.5
409.13052	0.6
435.10895	0.7
471.15125	0.9
489.09497	0.5
557.19305	0.5
627.26910	100.0
628.27313	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	627.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35632	1.7
59.01240	9.3
59.42208	1.8
63.54099	2.0
64.00945	1.9
68.99420	14.7
69.03316	4.6
71.01248	30.9
71.34215	3.9
72.99185	6.4
74.95245	2.9
83.01270	4.9
86.48211	2.2
87.92381	15.3
90.94750	2.7
99.00757	8.1
102.94749	7.8
103.91902	60.9
104.92689	38.1
105.93480	2.1
106.94260	10.3
111.00771	5.2
112.03877	2.6
112.98447	16.9
113.02334	19.3
114.94762	38.5
115.17982	2.3
122.05866	1.9
123.94506	12.2
128.96333	8.8
130.94252	17.5
132.95760	2.6
140.96335	4.8
142.94267	19.0
144.95834	12.9
146.93782	12.2
148.95313	5.0
154.97911	2.6
156.95850	14.3
158.93773	13.5
161.16371	1.8
162.96887	3.5
168.95868	3.9
170.97401	2.8
171.94566	22.6
172.95352	19.7
184.95323	17.1
193.95100	2.3
194.56250	1.9
197.11765	1.9
198.96896	6.2
199.94070	3.9
200.94814	17.8
204.97949	9.5
212.94739	2.1
214.96381	5.0
216.97902	4.1
218.29395	1.8
221.48109	2.5
230.99593	2.3
232.97633	3.9
241.16902	2.4
241.98982	2.6
246.95482	3.6
248.97325	2.0
256.97510	3.0
258.98947	2.5
275.20215	2.6
275.99277	6.2
277.21698	33.3
278.22110	3.7
289.00198	5.7
290.01041	4.5
306.01425	2.4
307.01266	11.8
320.99094	15.6
338.00565	5.0
339.00171	70.4
340.00458	5.5
347.00867	9.5
349.02249	31.8
365.14130	12.5
391.15802	21.3
392.16208	3.9
394.14444	5.5
395.15067	8.1
412.15509	2.9
419.15530	3.6
423.18649	3.5
426.13162	2.2
477.18994	3.5
565.21063	6.0
567.22565	100.0
568.22620	14.9
599.21698	38.0
600.21771	9.4
627.24579	27.5
628.25433	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32334	0.6
59.00951	1.0
59.01250	17.8
61.98695	0.7
67.01759	0.6
69.04238	0.5
71.01254	2.7
72.01624	0.6
73.02818	0.7
74.83155	0.9
78.95765	1.6
79.95621	1.6
80.04908	1.6
80.96391	2.4
85.02835	1.3
87.00761	0.8
89.00518	0.6
89.02303	0.9
93.03329	3.4
94.06477	0.7
94.97982	0.6
96.95900	8.6
98.19731	1.2
101.02332	1.0
106.06496	2.4
107.03633	1.3
109.02826	0.7
111.84816	0.5
113.02319	1.1
119.88902	0.7
120.04449	1.6
120.08066	3.8
121.02836	0.6
121.05218	3.4
122.06007	27.0
123.06373	0.7
132.04459	3.2
133.02846	0.7
134.06046	5.1
135.04408	3.8
136.80522	0.6
137.02313	0.8
146.44440	0.5
148.07564	1.1
152.07079	8.9
152.99496	0.9
160.06331	8.7
170.09714	0.8
171.10133	0.8
173.04492	5.1
177.12727	0.6
179.03389	0.9
191.05524	4.1
197.07112	1.7
197.11794	0.7
198.07886	0.9
198.12744	0.9
209.11844	1.7
211.08719	0.9
213.10278	42.7
214.10582	2.3
214.12427	0.8
223.08714	2.2
225.00793	0.9
225.10223	3.8
226.10922	4.0
229.81120	0.6
239.11882	10.1
240.12253	0.7
241.13440	22.8
242.13759	1.7
251.11858	1.4
267.06683	0.8
267.11426	4.0
267.15005	8.6
268.11575	0.8
275.03870	0.6
285.12457	100.0
286.12744	8.8
287.14066	1.1
297.12445	19.3
298.12817	1.4
301.12064	0.7
311.13965	1.1
312.06192	1.0
314.04269	0.6
316.14542	1.3
344.13684	0.7
358.15625	1.8
374.18826	1.1
386.18652	0.8
511.23611	2.4
523.22705	0.8
539.26599	5.1
540.26892	0.8
555.26392	1.5
583.25610	70.5
584.16699	1.0
584.25867	14.8
601.09808	0.7
627.26746	7.0
627.36218	1.0
640.60913	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	626.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64277	0.8
54.27580	0.7
59.01249	34.8
60.74553	0.8
61.09522	0.9
70.04430	4.0
71.01260	1.7
71.28428	0.8
80.96385	1.9
85.02837	0.8
93.03330	0.8
96.95898	2.8
101.02310	1.7
106.06503	4.2
113.02278	1.1
121.87736	0.9
122.06018	5.2
134.06013	27.4
135.04401	1.1
137.02242	1.2
151.00247	1.3
152.07051	3.2
165.05461	0.9
166.03650	0.9
179.03352	1.3
191.05513	2.7
194.08124	1.4
203.83714	0.8
212.10788	11.8
213.10210	2.7
224.10909	1.5
225.00601	0.9
226.07396	1.6
238.12459	1.8
239.08154	3.5
240.08836	1.9
252.08955	5.4
253.09671	2.5
255.11359	35.4
256.11600	2.1
258.20944	0.8
259.43295	0.9
266.10516	1.2
267.08524	1.4
267.11377	26.9
268.11838	1.8
279.11273	1.2
281.09549	2.0
281.12872	5.8
299.10376	3.3
300.02744	1.6
308.19495	0.9
331.18042	0.9
354.32407	1.0
368.18301	0.9
374.18744	3.9
402.18237	14.9
446.17395	6.6
447.17395	1.2
453.50006	0.8
462.20212	11.1
506.19302	100.0
507.19565	17.4
521.33423	1.3
522.33624	2.3
591.16229	0.9
626.23792	2.1
627.25208	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	626.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68332	1.6
59.01249	44.8
60.49133	1.8
71.01250	2.2
71.11879	2.0
71.12212	2.3
73.02866	2.4
96.95873	3.0
101.02359	2.6
101.47766	1.7
106.06498	6.7
110.85280	1.6
122.05997	8.0
134.06007	41.5
135.04440	2.6
146.06071	2.7
148.07574	1.7
152.07076	4.8
191.05588	4.5
194.08160	2.5
212.10732	13.0
213.10329	3.7
224.10849	1.6
226.07434	2.2
238.12315	2.5
239.08102	2.4
251.08223	2.7
252.08998	6.3
253.09703	2.5
255.11346	44.5
256.11609	2.7
265.09912	2.0
266.10501	1.7
267.11401	36.8
268.11691	3.9
279.11514	2.7
281.12997	8.8
299.10373	2.7
329.35803	1.8
350.83469	1.6
372.13757	2.2
374.18573	7.1
387.15918	2.9
402.18115	33.7
403.18628	4.4
420.19427	3.1
434.20773	4.8
446.16983	5.9
462.20279	44.8
463.20734	6.4
464.17902	2.3
491.37021	1.8
494.23038	9.5
506.19302	100.0
507.19766	14.1
521.33179	3.5
522.33899	2.1
538.21979	23.3
600.81873	1.7
627.26770	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	626.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.5
57.36350	1.9
59.01251	78.2
61.98695	3.8
71.01253	13.0
72.99188	2.4
73.02842	5.1
75.65111	2.0
78.98461	2.0
79.95621	3.1
80.96384	12.0
81.24092	2.3
85.02819	7.9
87.00739	3.4
89.02315	5.9
93.03329	9.7
94.97943	3.2
96.95910	11.7
97.02838	2.0
98.19724	3.5
98.80923	1.9
99.00762	2.4
101.02319	7.3
102.00204	2.0
106.06512	8.1
109.02832	3.0
112.03963	2.7
112.27241	2.1
113.02342	4.3
116.04939	5.2
121.02872	3.1
122.05988	7.7
123.03139	6.1
125.02339	1.9
132.04456	6.8
133.02808	2.6
134.06012	81.4
135.04407	6.3
135.06383	3.8
138.05508	23.7
146.06041	2.8
149.02365	3.4
150.03117	11.1
150.05525	3.1
151.03549	3.6
152.07045	6.3
158.02365	3.4
160.03928	17.3
161.04399	2.6
163.03957	3.0
164.07088	4.0
165.05424	8.4
167.03462	2.3
168.45209	2.2
172.03917	5.6
173.04469	8.7
176.03421	4.3
177.01840	2.3
179.03326	3.6
180.06459	3.3
184.06125	3.8
186.05602	2.1
190.05028	11.5
191.05540	28.1
192.06580	40.4
194.08170	3.2
195.06572	4.9
196.06960	2.2
202.04939	2.4
204.06584	23.5
212.10820	5.2
225.00720	4.5
233.62868	2.1
237.10277	2.7
239.11789	2.9
251.11774	2.4
255.11357	4.5
256.09705	3.5
265.09723	3.4
267.11423	4.8
279.11432	9.3
281.09213	5.8
300.02405	2.7
307.10846	29.1
308.11386	3.3
311.14102	14.9
337.11890	8.8
339.13480	100.0
340.13678	10.0
357.14612	4.1
367.12973	22.3
368.13617	3.3
380.96860	2.2
397.13956	13.9
399.15601	43.1
400.15936	4.8
402.18216	3.0
409.13101	2.6
435.11154	3.3
440.60126	2.4
446.17120	4.8
447.15866	2.2
488.18478	4.7
506.19299	24.2
507.19281	3.3
521.33026	2.6
532.17212	4.7
538.21875	2.6
550.18347	36.9
551.18579	5.0
564.19562	3.7
582.21057	11.8
594.65729	2.9
626.15234	2.7
626.26526	14.0
627.26813	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	626.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	61.0
61.98709	3.8
71.01238	12.3
73.02800	5.4
78.95753	2.0
78.98476	5.0
79.95610	10.8
80.39805	1.7
80.96390	49.7
81.03365	1.9
83.01228	1.8
85.02826	5.7
87.00768	2.0
89.02325	4.0
93.03345	6.1
94.97955	12.0
96.95903	14.5
98.19775	5.1
98.49082	2.1
101.02324	7.7
106.06512	8.1
106.97955	3.0
110.02364	1.9
111.04338	1.9
112.03936	4.9
112.09091	1.9
113.02335	3.2
116.04965	4.9
119.04934	3.1
122.06027	10.4
122.84724	1.9
122.97472	4.2
123.03146	7.9
124.03937	6.9
125.02354	1.9
132.04451	5.7
134.06010	88.5
134.97415	4.2
135.04402	5.2
135.06409	2.1
137.02409	2.2
138.05504	28.3
144.04439	3.4
146.05913	2.1
148.99071	3.9
150.03152	3.2
152.07080	6.7
152.98535	5.0
158.02388	2.9
158.06050	3.4
159.14871	1.8
160.03940	21.1
161.04344	3.7
164.07092	3.2
164.98584	11.2
165.05460	3.3
166.04918	2.2
172.03978	7.1
173.04497	7.6
176.03456	5.5
179.03455	2.6
184.06099	2.7
190.04939	12.6
191.05544	16.3
192.06598	43.5
193.06953	3.2
194.08084	2.6
203.61156	1.7
204.06590	21.1
212.10620	2.1
217.45874	2.2
218.08186	2.7
225.00737	19.0
229.74602	2.4
251.11919	1.9
255.11328	2.5
263.08188	2.4
265.10089	2.6
267.11343	4.0
279.11337	8.1
281.09280	5.9
287.20261	2.0
293.09302	3.3
305.09412	2.9
307.10855	39.5
308.11179	3.5
311.14145	13.4
323.10345	2.2
325.11914	2.6
337.11893	10.1
338.12436	2.3
339.13486	97.6
340.13654	10.6
357.14642	5.7
367.12982	51.3
368.13275	5.1
397.14001	14.0
399.15536	43.8
400.16064	5.8
402.17792	2.9
446.16885	4.2
460.17944	2.4
478.16284	2.4
488.18420	2.7
506.19168	21.4
507.18854	5.9
521.33264	2.3
532.17389	6.5
550.18298	21.2
551.18353	3.4
564.19928	4.5
582.21259	10.3
626.25488	7.5
627.26947	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	625.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	9.5
58.00476	2.8
59.01250	100.0
61.98704	2.4
67.19467	1.4
69.03321	3.5
71.01255	47.1
71.37262	1.4
71.37588	1.8
72.99180	6.0
73.02823	17.2
75.00742	2.4
77.29565	1.4
78.95753	1.6
78.98499	1.5
79.95623	4.5
80.96389	9.4
81.03302	2.4
83.01253	8.0
83.04890	3.1
85.02821	22.3
87.00745	6.7
87.04403	2.8
89.02318	23.8
93.03337	5.6
94.97957	2.2
95.01266	4.3
96.95881	17.4
97.02834	2.1
97.06578	1.2
99.00748	3.5
99.04391	2.0
101.02326	26.0
106.06511	1.8
109.02854	2.7
109.06472	1.6
113.02332	29.7
119.03436	9.2
119.04907	2.5
122.06015	2.1
123.08044	2.1
125.02316	5.3
131.03439	1.9
132.04530	1.6
133.02879	2.2
134.06036	8.1
135.04375	6.0
136.07512	3.1
137.02370	3.1
142.45050	1.5
143.03439	3.6
151.00266	2.2
153.09120	2.1
155.03313	1.5
161.02338	1.8
161.04454	7.7
163.11101	1.5
164.98598	1.5
173.04454	6.9
177.01837	6.3
179.03400	3.9
179.05551	4.7
187.13409	3.7
191.05551	18.1
192.05850	1.8
199.13277	1.4
207.05101	3.3
207.10515	1.6
209.11766	25.3
210.12120	2.3
212.10910	3.3
217.14388	2.5
225.00693	3.5
227.12787	6.0
255.11359	7.4
267.11407	8.2
271.02567	2.1
286.39749	1.5
300.02701	2.4
359.28070	7.9
374.18747	2.1
377.29010	14.4
397.13351	6.3
402.18228	6.0
415.14386	3.6
462.20184	5.7
506.11902	2.3
506.19351	24.5
521.33276	94.7
522.33685	12.6
538.22766	2.8
539.34302	23.1
581.35645	11.2
624.39758	1.6
625.25653	15.7
625.39655	5.9
626.25055	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	625.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34912	1.3
57.03317	4.8
59.01251	85.1
61.98698	10.3
67.01773	1.7
69.26842	1.3
69.27161	15.2
71.01257	13.1
72.99175	3.4
73.02830	8.2
78.95786	5.6
80.96416	5.4
81.03330	1.7
83.01267	1.4
83.04900	2.3
85.02824	9.3
87.00780	4.7
87.04415	2.5
89.02342	5.3
93.03325	12.3
96.95909	5.5
98.19762	2.8
99.00809	1.8
99.04449	1.6
101.02328	7.8
109.02872	4.6
111.04387	1.4
111.08099	1.7
113.02347	4.8
119.03473	1.8
122.05972	1.8
125.02367	2.3
127.03895	1.6
133.02919	2.1
134.03644	13.4
134.06029	2.8
135.04433	8.5
137.02380	5.5
137.09656	1.8
139.11192	36.4
148.05211	2.4
151.00272	3.3
152.99586	1.8
155.03456	2.2
155.10718	4.0
159.04456	2.4
161.04643	1.9
163.03989	2.5
163.11217	1.8
165.09138	3.8
169.12260	1.5
173.04500	18.1
173.05956	2.3
175.04091	1.8
175.11147	12.9
178.05049	2.3
179.03479	2.9
181.12260	20.1
183.10204	43.0
183.11803	2.3
184.10623	2.8
187.04002	1.8
187.07559	11.2
189.04002	2.5
189.05592	1.6
191.05542	36.8
191.84297	1.4
192.05936	2.0
193.04977	15.3
193.12357	1.6
199.13358	12.5
201.05550	2.5
202.06194	1.6
207.04984	2.7
209.11809	7.3
213.09036	1.9
215.07169	3.3
225.11255	20.8
227.13004	1.7
229.01810	1.5
231.06584	2.9
231.10204	3.5
243.12341	100.0
244.12759	6.0
257.08295	4.4
257.13937	2.7
267.06284	1.8
271.02399	1.9
275.09262	9.2
285.13428	33.6
286.13593	2.7
312.12567	4.8
315.14481	12.6
316.14899	1.6
345.15524	51.7
346.15839	3.6
367.10147	8.9
405.17612	51.7
406.18015	3.9
449.14825	4.6
461.17667	1.8
462.18744	3.4
505.34058	1.8
514.82477	1.9
565.24689	2.3
581.29944	1.8
625.28448	61.6
626.28955	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	625.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.7
59.01252	19.9
64.11687	0.9
67.78926	0.9
69.03348	1.0
69.83577	0.8
71.01251	11.2
71.57726	1.0
72.02053	0.9
72.99181	1.4
73.02812	4.9
78.95796	1.5
78.98517	0.9
79.95626	1.3
80.96386	9.5
83.01270	2.5
83.04932	1.2
85.02830	5.8
87.00777	2.3
87.04425	1.9
89.02342	3.6
93.03333	4.9
94.97997	1.7
95.01295	1.5
96.95933	2.6
101.02326	6.3
106.04156	2.3
109.02839	1.1
111.04478	1.3
113.02370	2.3
119.03560	2.5
119.04918	100.0
120.05305	3.8
121.69094	0.7
123.08075	1.0
125.02364	1.9
133.02898	1.3
134.03619	12.9
135.04440	2.8
135.06587	1.0
135.08116	2.9
136.08492	0.9
137.02376	2.1
137.09630	12.0
149.05988	6.5
149.06963	0.7
155.10689	55.5
156.11099	2.9
163.03922	61.5
164.04311	2.4
164.98631	0.9
173.04558	4.9
175.02475	1.3
175.04060	0.8
177.01888	1.8
179.03412	0.9
181.08725	3.5
187.07608	1.0
191.05540	7.5
193.05070	3.8
199.09663	12.9
209.11839	3.5
225.00710	2.0
227.12964	3.1
241.10867	1.6
257.85226	0.8
269.14047	0.9
277.10583	1.1
283.11899	2.2
287.15131	1.0
317.16193	2.4
343.14224	3.6
431.19220	1.0
461.19836	0.9
505.34256	3.5
507.18570	9.7
523.34741	1.4
581.29718	8.9
582.30469	1.5
625.28534	57.7
626.28687	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	625.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32236	0.3
55.01748	0.7
57.03316	0.4
58.00461	1.0
59.01250	20.8
68.99670	0.3
69.03306	1.0
69.50069	2.7
71.01254	15.0
72.99178	1.1
73.02814	2.7
75.00734	0.9
75.74125	0.4
75.97536	0.3
80.02532	1.7
81.03349	1.9
83.01254	1.9
83.04891	6.6
84.02022	1.3
85.02818	3.3
87.00736	3.1
89.02312	12.6
93.03341	0.8
95.01252	0.7
95.04908	0.9
96.95864	1.2
97.02824	2.7
97.06469	0.5
98.19846	0.7
99.00762	0.8
101.02319	12.9
108.02045	0.5
109.02810	0.6
109.06423	0.5
111.04425	0.6
113.02314	5.1
119.03374	3.9
121.02802	0.5
125.02319	4.3
125.05979	0.7
131.03371	0.9
135.04396	0.6
135.08072	1.0
137.02312	1.2
139.03925	0.5
143.03407	2.4
147.11615	0.5
149.04475	0.6
150.92393	0.4
151.00194	0.6
152.00987	0.4
161.02296	0.4
161.04459	2.8
163.03813	0.3
163.11195	4.6
164.04758	0.4
164.11592	0.4
165.01883	0.3
165.12753	3.0
173.04527	0.4
177.05318	0.4
179.03387	0.8
179.05504	2.3
181.12244	0.9
191.05493	1.8
191.10657	0.7
194.05707	0.5
199.13501	0.4
205.28645	0.3
207.10173	0.5
209.11758	100.0
210.12102	5.7
217.21782	0.3
221.06593	1.0
225.11092	0.4
227.12837	17.7
228.13150	0.5
235.08195	4.2
245.06592	0.5
253.09143	1.6
255.10402	0.4
263.07819	0.4
281.79614	0.3
287.07672	1.1
299.02094	0.4
300.02499	0.5
305.08685	1.3
314.99631	0.5
323.09937	0.4
396.47397	0.5
397.13470	28.0
398.13773	1.9
415.14554	15.5
416.14996	1.3
486.54968	0.4
506.18665	0.5
514.71082	0.4
521.33075	0.6
624.39917	1.8
625.15942	0.9
625.26068	0.9
625.39948	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	625.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
58.00471	1.1
59.01252	18.5
69.03308	0.9
69.44932	3.2
69.45341	1.3
71.01252	13.3
71.74570	0.6
72.79001	0.5
73.02808	2.1
80.02541	1.2
81.03324	1.8
83.01260	1.5
83.04902	4.4
84.02045	1.1
85.02815	2.9
87.00753	2.8
89.02317	14.6
91.03927	0.7
95.04904	0.8
96.95908	0.6
97.02836	1.8
99.00777	1.3
101.02327	11.2
103.03860	0.6
113.02327	4.9
119.03391	3.8
125.02323	3.3
128.46805	0.5
135.08040	0.9
143.03397	1.9
161.04449	2.4
163.11220	4.9
165.12776	2.8
179.05504	3.3
191.10721	1.3
209.11771	100.0
210.12140	5.1
221.06592	1.3
227.12852	18.1
228.13165	1.2
235.08167	4.7
253.09351	1.4
287.07568	0.9
305.08734	1.3
310.30920	0.5
331.73578	0.5
344.18332	0.7
352.32965	0.6
379.12366	0.7
397.13501	24.5
398.13968	2.0
415.14594	16.9
416.14694	1.2
544.40997	0.6
625.39551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.5
58.00469	0.9
59.01250	16.2
65.00176	0.6
69.03335	0.9
69.61291	3.1
70.66899	0.4
71.01253	14.3
72.99171	1.1
73.02818	2.4
80.02535	1.8
81.03315	2.0
83.01250	1.9
83.04444	0.6
83.04893	5.0
84.02029	1.2
84.92316	0.4
85.02826	2.7
87.00741	3.3
89.02316	14.8
93.03344	0.9
95.01276	1.2
96.95884	1.3
97.02831	2.1
99.00716	1.1
101.02321	12.0
105.46711	0.4
107.01247	1.0
109.02845	1.0
109.74272	0.4
109.99982	1.9
111.00763	1.0
113.02331	5.0
119.03402	5.2
123.00764	0.9
124.01575	0.8
125.02334	5.2
125.05975	0.6
126.09604	0.4
131.03375	0.9
135.08020	0.6
137.99493	1.0
139.00259	3.0
139.03859	0.5
143.03416	2.5
145.02812	0.5
149.04512	0.6
151.00291	2.8
152.01021	1.4
153.01741	0.6
159.04443	0.4
161.02365	0.4
161.04434	3.1
163.00316	0.9
163.11200	4.4
165.12775	3.1
165.99040	2.6
166.99751	1.9
167.03259	0.4
174.03175	0.5
175.03880	0.8
178.99773	3.6
179.05539	3.3
181.12291	1.0
187.03928	0.9
191.05602	1.0
191.10730	0.8
198.03105	0.4
199.04124	0.9
199.13304	0.9
201.01849	1.3
201.05534	0.8
203.03464	0.8
206.99236	0.6
209.11772	100.0
210.12146	5.8
214.02563	0.6
215.03464	1.5
216.04170	0.4
221.06560	1.0
226.02739	0.5
227.03487	2.2
227.12837	21.8
228.13223	1.5
229.01349	0.5
231.03058	0.8
235.08195	4.8
241.01253	0.7
242.02193	1.3
243.02957	2.7
244.03607	0.6
253.09267	1.6
255.02925	2.5
259.02463	1.6
263.07721	1.1
270.01627	2.3
271.02469	12.0
272.03116	2.8
273.04053	0.9
283.15161	0.4
287.01947	4.5
287.07394	1.0
288.02637	2.2
298.01227	0.9
299.01947	14.2
300.02466	2.4
301.03522	1.0
305.08752	1.1
315.01505	1.3
315.98489	0.9
316.02206	17.8
317.02908	8.8
318.03137	0.8
323.09729	0.5
397.13498	32.6
398.13925	2.4
415.09003	1.0
415.14566	19.8
416.14746	2.0
430.36902	0.5
581.15045	1.0
607.12817	1.2
625.14093	33.4
625.24902	1.2
625.39435	0.8
626.14459	6.2
654.92908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08738	0.8
56.91665	0.9
62.14167	0.7
67.14308	0.7
78.95763	2.6
96.95882	2.2
134.06023	1.3
147.90642	0.9
166.01224	0.8
209.11726	2.0
213.10275	5.6
215.11830	0.9
217.95079	1.0
218.73560	0.8
232.92271	0.9
239.11690	0.9
277.21686	1.5
279.33670	0.7
299.13870	1.8
299.71231	0.9
327.10187	1.3
328.10806	1.2
330.12421	0.9
340.11169	1.1
342.12677	1.0
356.14148	0.9
385.14429	1.1
398.15231	1.3
432.12366	1.2
433.13269	5.0
434.13632	1.6
439.21356	1.0
447.14532	3.4
448.15326	9.5
449.15845	6.0
450.16840	1.6
462.17123	1.0
463.17758	18.1
464.18124	4.1
477.18896	2.7
478.19827	2.7
479.20810	13.3
480.21274	1.6
491.17197	26.0
492.18021	4.6
505.18567	4.3
505.25665	1.5
506.19553	6.5
507.20132	2.0
519.21069	1.9
520.21167	2.0
523.19843	3.4
538.14038	1.3
538.22192	22.1
539.22736	7.9
543.19098	0.9
593.23865	8.9
594.23975	1.0
625.26624	100.0
626.26996	24.8
626.35034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25232	0.5
56.91896	0.6
59.01247	1.3
67.75828	0.6
69.37859	4.7
73.02811	1.3
78.95763	1.3
87.47578	0.5
96.95887	4.4
130.75900	0.6
131.28371	0.6
134.06030	1.2
154.12321	0.6
162.18089	0.7
209.11789	1.0
213.10266	9.8
215.11874	1.0
237.10341	0.6
265.09598	0.6
267.11334	0.9
277.21661	2.7
297.12518	0.7
299.13992	2.5
305.60995	0.7
318.13477	0.7
330.12665	0.7
337.14099	0.8
341.11545	0.8
342.12335	1.2
383.11670	0.7
384.13419	0.8
385.14273	1.2
398.14874	0.8
405.13513	0.8
419.15372	1.0
420.16299	1.7
432.12268	1.6
433.12885	6.2
433.17157	0.6
434.13531	3.2
435.14035	1.2
439.20868	0.8
447.14697	6.0
448.15384	10.2
449.15897	7.2
450.16550	1.2
462.17847	0.8
463.17776	23.5
464.18130	4.6
465.19196	2.3
466.19583	0.8
475.13953	1.0
476.14786	1.4
477.19601	3.9
478.19867	3.2
479.20871	18.9
480.21158	3.2
487.18384	0.6
489.16656	0.7
490.16116	1.3
491.17212	30.9
492.17642	4.9
505.18845	4.7
505.25766	1.6
506.19586	7.8
507.20187	5.0
517.22552	0.8
519.20386	1.3
520.21082	2.4
523.19958	4.0
538.22211	36.7
539.22797	12.7
540.23425	1.5
552.23700	0.9
572.63226	0.7
593.24158	9.4
594.24567	2.0
625.26642	100.0
626.26947	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	625.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42832	1.3
57.03331	2.5
59.01251	58.0
61.98680	5.2
65.03403	1.2
69.03309	2.5
71.01254	17.7
71.58172	2.1
72.99165	3.4
73.02818	12.2
75.00737	2.2
78.95757	4.7
78.98441	1.6
79.95590	4.9
80.96386	22.0
81.03359	1.7
83.01247	10.5
83.04875	2.4
84.07761	1.3
85.02821	9.7
87.00735	8.2
87.04408	2.2
87.44986	1.5
88.98660	3.1
89.02302	6.3
93.03326	11.6
94.97945	4.9
95.01286	2.7
96.95879	8.4
96.96819	1.8
97.02801	2.4
97.06458	2.3
99.00722	1.5
99.04398	1.6
101.02328	13.7
108.02052	2.6
109.02813	4.5
111.04385	2.4
113.02319	6.7
118.97988	1.7
119.03440	2.4
119.04916	42.8
121.02834	2.3
122.97448	1.8
125.02311	5.2
127.03894	2.2
129.01787	1.9
133.02815	5.8
134.03629	60.6
134.05893	2.3
134.97513	2.0
135.04468	10.5
135.08005	2.1
137.02344	19.4
137.09590	4.0
139.03880	1.8
145.02858	2.4
147.04401	1.9
148.05186	2.3
149.02460	1.5
149.05989	19.3
149.99472	1.2
150.03082	3.9
151.00287	2.7
151.03844	2.9
152.01054	1.8
152.07030	2.6
152.98431	2.0
152.99532	1.9
155.03352	1.9
155.10672	21.7
158.78030	1.3
161.04456	2.0
163.03929	24.3
163.11142	1.9
164.98534	2.5
165.01765	1.6
167.10657	3.3
173.04465	14.1
177.01822	7.0
178.02629	37.9
178.04996	2.1
179.03236	5.9
179.05313	1.5
181.08733	1.8
182.99461	1.4
191.05530	18.7
192.05972	1.3
192.07941	1.6
193.04993	100.0
194.05336	4.3
199.03867	1.5
199.09657	8.0
199.13336	1.7
207.04985	4.1
207.13863	2.1
209.11755	13.8
215.92680	1.4
225.00673	5.4
225.14967	2.6
227.12831	16.6
227.88103	1.3
233.11626	1.8
241.10696	2.2
243.63725	1.3
251.12901	2.5
269.13934	5.3
271.02454	2.2
275.09375	2.0
283.11810	2.3
287.15067	10.5
299.04874	1.6
300.02628	2.8
312.08231	1.5
313.12863	2.4
315.01239	1.6
339.26291	1.4
343.14011	2.9
361.29578	2.3
371.16666	1.9
375.27518	7.1
376.27777	9.1
377.28055	8.6
397.13608	2.1
415.14264	2.1
431.19049	9.7
449.14246	2.5
505.33740	12.2
506.18292	1.8
507.18839	10.3
521.08276	1.6
523.34943	2.1
581.29047	2.7
590.38586	2.9
607.24127	3.3
625.25372	70.3
626.25537	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	625.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.4
63.02258	0.7
65.00187	1.1
69.77676	2.2
71.01247	1.0
72.01346	0.3
75.91516	0.4
82.84039	0.3
83.01241	1.1
89.02311	1.0
93.03324	0.5
96.95901	2.3
98.19854	0.5
101.02290	1.0
107.01266	2.3
108.02030	2.0
109.02816	0.8
116.28316	0.3
116.48448	0.4
121.02822	1.4
121.29508	0.3
129.63712	0.4
135.00731	0.9
148.01584	1.6
151.00267	8.0
157.99725	0.4
163.00252	1.4
164.01057	0.6
169.01346	0.9
178.99776	5.2
191.05518	1.2
199.03937	1.0
199.13329	0.6
209.11771	2.6
211.03888	0.8
215.03494	0.5
216.04103	0.7
221.75514	0.4
226.02637	1.4
227.03464	2.2
227.12802	1.8
227.99763	0.4
228.03755	0.4
229.01433	0.4
229.04996	0.4
241.69777	0.4
243.02953	11.6
244.03462	1.3
245.04390	0.5
254.02223	2.9
255.02957	28.7
256.03311	2.2
257.04510	0.5
271.02460	67.4
272.02908	5.9
273.03857	0.6
299.01935	3.9
300.02725	100.0
301.03360	20.0
302.03711	0.9
303.09033	0.5
337.61032	0.4
397.13556	1.2
415.14694	0.7
445.07681	0.7
463.08984	1.1
464.09290	0.4
505.10065	0.9
625.14056	61.2
626.14404	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	625.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30796	1.4
59.01250	10.4
62.39234	1.3
63.02271	1.9
65.00188	3.0
68.60119	1.2
71.01247	6.1
72.99181	1.7
73.02821	2.3
79.80374	1.3
84.65578	1.3
85.02831	1.9
89.02307	5.8
93.03340	3.1
95.01270	3.1
96.95880	4.7
98.20664	3.1
101.02326	3.4
102.96397	1.7
107.01256	4.1
109.02811	2.5
109.99983	10.4
111.00767	4.0
113.02313	3.0
117.03316	1.8
121.02862	2.3
123.00755	4.2
124.01530	4.0
125.02358	3.5
133.02870	2.7
136.98643	2.2
137.02293	2.4
137.99487	2.7
139.00282	10.5
151.00259	13.9
152.01045	5.8
159.04475	2.3
161.02269	1.8
163.00319	3.3
164.00998	3.2
165.99060	9.9
166.99738	6.0
169.01315	1.9
171.04414	3.6
173.04483	2.5
178.99765	10.6
179.03471	2.1
183.04440	1.8
187.03888	4.5
191.05556	8.7
193.98460	2.2
197.02344	1.6
198.03105	3.8
199.03905	5.6
199.13358	1.9
199.99966	1.6
200.04352	2.1
201.01807	3.6
203.03365	2.7
206.99474	1.4
209.11766	16.2
211.03975	1.8
214.02609	3.5
215.03493	3.4
216.03992	2.6
218.02174	1.4
226.02641	3.2
227.03418	10.2
227.12761	9.2
229.04961	2.2
231.02904	3.8
242.02135	5.5
243.02982	21.2
244.03639	1.9
245.04323	1.6
254.02292	2.4
255.00299	1.5
255.02954	30.6
256.03470	3.6
257.04388	3.0
259.02658	3.2
270.01703	6.8
271.02478	72.7
272.03113	19.2
273.03900	3.7
283.02432	7.7
287.01965	17.5
288.02591	4.9
299.01962	41.5
300.02710	48.2
301.03458	23.4
315.01474	3.1
316.02206	70.3
317.02798	12.5
397.13495	6.6
410.74844	1.8
415.14410	3.8
445.07639	1.8
535.19910	1.8
575.30798	1.6
607.13208	3.8
624.39374	2.7
625.14050	100.0
626.14319	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	625.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14467	1.3
56.85408	1.8
57.03320	2.6
59.01249	27.2
61.98681	1.5
63.02272	1.6
65.00192	3.9
68.99699	1.7
69.03316	2.0
70.02850	1.6
70.75800	1.3
71.01253	12.1
71.04901	2.2
71.57493	2.7
72.99187	3.0
73.02808	8.2
75.00735	4.3
78.95736	1.5
79.16640	1.5
81.50620	1.5
83.01247	4.5
83.04880	5.0
85.02818	5.2
85.06482	2.2
86.02349	1.8
87.00729	3.6
87.04394	4.7
88.03905	6.6
89.02330	8.5
93.03323	8.2
95.01234	1.8
95.04892	2.7
96.95879	6.4
97.02761	1.4
99.00748	1.6
99.04369	1.6
100.03917	3.1
101.02315	8.5
102.67961	1.5
107.01293	3.0
108.02016	3.2
109.02805	1.8
109.06462	3.2
111.00755	3.5
111.08016	2.8
113.02309	5.9
113.05950	2.2
115.00263	1.4
115.07504	1.7
117.03364	3.0
123.04425	2.1
123.08015	2.1
125.02338	5.4
128.03476	1.8
129.09116	1.9
131.07030	8.1
134.06050	2.5
135.04405	5.9
137.02344	8.6
139.00258	4.4
139.07591	1.7
143.03384	2.1
143.04939	2.4
143.06975	1.5
145.02879	2.7
145.18475	1.8
151.00255	16.8
151.03940	1.9
152.01099	1.4
153.01778	2.1
159.04391	3.6
160.09695	6.4
161.04463	1.9
163.00218	2.5
163.03922	2.3
163.11234	2.5
165.12646	1.6
166.99818	2.2
167.03275	1.5
169.01352	3.2
171.04514	1.8
173.04451	3.3
177.01724	1.5
178.99794	11.6
179.03401	2.5
179.05516	2.1
183.04370	2.4
184.09691	1.6
185.02232	1.7
187.03937	3.0
188.04460	1.4
189.01855	1.7
191.05498	11.0
192.12384	1.8
194.05438	1.4
195.13837	2.2
199.03928	3.6
206.99202	2.7
207.05042	2.0
207.13863	1.7
209.08311	2.3
209.11790	32.5
209.15433	2.9
215.03319	3.0
216.04231	2.3
217.04996	3.3
227.03450	5.1
227.12837	8.3
243.02930	4.3
255.02966	11.2
255.11201	5.6
259.02438	3.9
267.11401	3.5
267.31616	1.6
270.01675	2.0
271.02469	28.7
272.03070	4.8
273.04059	2.5
283.02475	1.6
284.03397	6.6
285.03900	6.2
287.01974	6.1
288.02527	2.6
299.01968	31.0
300.02444	7.3
301.03299	4.5
314.04245	1.9
315.04871	1.9
316.02124	17.9
317.03055	12.0
343.25046	2.9
387.27475	1.6
389.25397	15.6
390.25751	3.5
397.13461	11.1
406.41458	1.4
415.14490	6.5
506.19284	2.2
513.11951	2.1
521.33112	5.3
521.85126	1.8
525.16284	3.7
539.33826	2.3
564.37274	7.4
565.37195	3.1
581.15271	2.9
606.38196	4.6
607.13135	7.0
624.39594	100.0
625.14197	35.9
625.24951	3.3
625.28528	3.8
625.39819	50.6
626.14661	4.2
626.23767	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	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80477	1.3
54.83677	1.1
57.03332	1.5
59.00981	1.9
59.01248	17.3
65.00192	2.4
71.01251	12.7
71.57943	2.8
72.99177	1.7
73.02810	4.0
74.02319	2.2
80.02538	1.6
80.94691	1.5
81.03321	2.0
83.01253	3.2
83.04869	5.6
84.01926	1.5
85.02803	4.4
87.00725	3.8
88.03931	1.5
89.02305	11.8
89.96147	1.4
93.03303	3.4
95.01260	2.9
95.04890	1.6
96.95880	10.2
97.02819	3.8
100.44449	1.3
101.02319	12.7
101.05950	1.5
107.01267	3.1
109.02834	3.0
109.99975	6.5
111.00745	4.4
113.02312	7.7
119.03384	3.6
119.04895	1.7
121.02835	1.2
123.00773	3.9
124.01556	2.2
125.02322	7.5
134.03606	1.9
136.98662	2.6
137.02304	3.9
137.99429	2.8
139.00262	7.5
143.03426	1.4
143.04712	1.3
151.00249	12.4
152.00981	4.8
159.04344	1.8
161.04446	2.7
163.00246	3.0
163.03964	1.7
163.11174	2.9
164.00835	2.1
165.12764	2.9
165.98952	6.9
166.99745	4.2
169.01276	1.8
171.04419	1.4
173.04504	1.5
175.03856	2.2
178.99739	11.7
179.05525	2.7
181.12267	1.7
183.04279	1.6
185.02451	1.8
186.31049	1.4
187.03917	2.5
191.05490	5.8
191.10831	1.7
199.03987	2.2
203.03413	3.5
209.11763	77.6
210.12126	2.1
214.02553	3.0
216.04208	2.4
219.03026	1.4
227.03549	6.4
227.12836	17.1
229.01450	1.5
231.02914	2.6
235.08151	4.0
242.02080	3.8
243.02989	10.5
244.03490	2.2
248.08238	1.2
255.02885	8.9
259.02451	2.7
270.01605	6.8
271.02472	39.8
271.05414	2.1
272.03238	9.2
273.03625	2.3
287.02032	15.0
288.02460	6.0
298.01083	2.6
299.01935	35.7
300.02682	14.1
301.03452	7.7
305.08765	1.7
306.07764	3.1
315.01477	4.0
316.02182	60.0
317.02921	24.9
318.03305	2.1
397.13474	27.3
403.27267	2.8
415.14597	14.1
606.38641	1.8
607.12976	4.2
624.39648	31.4
625.14056	100.0
625.24768	3.4
625.40027	13.3
626.14459	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	625.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68232	1.5
59.01246	14.4
65.00172	2.5
69.03329	1.7
69.69270	8.7
71.01257	12.2
73.02820	3.4
79.46883	1.9
83.01278	3.3
83.04891	5.3
83.74120	1.6
84.33389	1.5
85.02816	5.1
87.00774	2.5
89.02309	12.7
93.03326	1.7
95.01246	2.9
96.95879	6.9
97.02843	3.1
101.02303	11.8
107.01266	3.6
109.02819	4.2
109.99992	5.4
111.00752	4.2
113.02337	3.9
119.03381	3.5
119.87338	1.7
123.00747	3.8
124.01519	3.4
125.02351	6.8
137.02310	2.2
137.41776	1.6
137.99490	3.0
139.00246	7.0
143.03368	1.9
151.00287	11.1
152.01028	4.9
161.04402	3.5
163.00246	2.8
163.11189	2.5
165.12743	3.5
165.98993	8.6
166.99734	5.3
169.01167	1.8
171.04289	1.9
175.03847	2.3
178.99777	10.5
187.03879	2.1
191.05450	2.3
199.03889	5.1
201.01970	2.1
203.03365	1.7
209.11766	96.8
210.12198	2.8
215.03374	2.6
227.03336	9.0
227.12848	15.8
231.03021	2.0
235.08247	4.0
242.02090	2.4
243.02925	8.6
245.04274	2.1
251.19801	1.7
255.02971	6.6
259.02344	4.7
260.02859	1.8
266.76834	1.9
270.01651	5.3
271.02438	37.9
271.05112	3.5
272.03131	10.1
287.01947	16.5
288.02536	7.7
298.01044	2.0
299.01965	40.2
300.02582	10.6
301.03503	6.4
308.37009	2.0
315.01404	2.4
316.02194	63.8
317.02914	26.3
362.89667	1.8
397.13528	25.0
415.14520	15.2
502.70715	1.9
607.13068	3.4
624.39380	12.9
625.14050	100.0
625.40399	6.7
626.14441	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	623.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.0
59.01255	19.1
61.98696	2.8
65.27252	0.7
69.03325	1.1
69.29164	2.4
69.29588	3.6
71.01258	8.8
72.99194	0.8
73.02828	4.4
78.95754	1.5
79.95602	1.1
80.96397	5.6
81.03306	0.7
81.87487	0.6
83.01254	3.2
83.04894	1.3
85.02820	3.5
87.00748	2.7
87.04393	1.1
88.98674	1.1
89.02312	1.9
93.03342	3.7
94.97942	1.6
95.04906	0.7
96.95897	3.0
97.02818	0.9
97.06462	1.4
99.00726	0.9
101.02328	5.8
104.02567	0.8
109.02837	1.1
109.06430	1.6
111.00767	0.8
111.04401	0.8
113.02331	3.6
119.03445	0.7
119.04931	4.1
121.02847	0.8
123.04424	1.1
123.08007	1.2
125.02354	1.7
134.03568	1.2
135.04407	2.3
135.08070	0.8
137.02350	2.4
139.11140	1.0
143.03506	0.8
148.01570	2.1
150.03091	0.7
151.00307	0.7
151.04001	0.6
152.04735	0.9
152.98520	0.8
153.01833	0.6
155.03410	0.9
155.10577	0.8
157.12253	1.7
159.04382	0.7
161.02312	0.7
161.04433	1.4
163.03931	3.6
164.98613	0.8
165.05484	0.9
169.12274	1.7
171.10202	0.8
173.04527	3.6
173.05785	0.8
175.99542	1.3
176.01065	21.4
176.02538	1.3
177.01750	2.1
178.02562	0.9
179.03430	1.3
179.62283	0.6
185.11742	2.0
191.03433	25.4
191.05515	9.1
192.03833	1.7
193.04990	1.3
207.10237	1.4
209.04379	0.7
209.11777	1.2
213.11089	0.8
215.12869	1.5
225.00706	1.5
225.11238	2.1
227.12823	2.1
251.12714	0.7
255.02957	0.8
267.10831	1.4
269.13742	0.9
271.02487	0.9
287.15082	2.8
299.01880	1.7
300.02921	0.7
329.23416	2.2
357.26453	7.3
358.26706	0.8
373.25974	4.9
374.26309	2.9
375.27505	100.0
376.27811	11.3
381.10541	0.7
389.29172	1.7
397.13492	0.9
417.28442	1.5
431.19180	2.7
460.17621	2.0
476.29733	0.8
503.32379	2.1
519.31781	3.0
537.33038	2.3
579.33783	17.7
580.34253	2.5
601.65857	0.7
623.23822	11.6
623.43018	1.3
624.24365	2.6
624.42572	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	623.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
57.03327	1.8
59.01251	30.7
61.98701	3.9
69.03339	1.8
71.01254	19.0
71.04902	1.0
72.99178	1.4
73.02802	3.1
78.95775	50.6
79.95645	0.7
80.02555	1.6
80.96381	2.4
81.03335	3.1
83.01257	1.8
83.04920	2.6
84.02045	0.7
85.02824	4.8
87.00748	3.3
88.30525	0.7
88.98739	0.8
89.02316	14.9
89.61417	0.6
91.34016	0.7
93.03307	1.3
95.01264	1.3
95.04892	1.3
96.95911	1.2
96.96843	3.5
97.02828	10.2
97.06463	1.2
99.00747	2.7
101.02323	13.2
101.79409	0.7
106.04026	0.7
107.04983	0.7
109.02843	0.9
109.06474	31.5
110.03625	1.7
110.06802	1.2
111.04440	0.7
113.02341	6.8
119.03400	4.3
119.04889	0.7
121.06481	1.4
123.04436	1.6
125.02334	4.7
125.09677	0.8
131.03395	0.8
134.06029	1.9
135.08041	4.0
136.05237	1.9
141.01872	1.2
142.02614	2.9
143.03369	1.8
152.99498	4.6
161.04454	3.0
161.09647	1.9
163.11200	17.9
163.12491	1.3
164.11565	1.1
169.12268	3.9
170.12625	1.1
171.00548	29.2
172.00903	4.1
179.05579	3.7
181.12251	5.5
187.02969	0.9
189.09193	1.3
191.05571	2.6
202.35721	0.9
207.10199	100.0
208.10571	6.5
209.11754	3.4
211.13278	1.1
221.06630	1.8
222.62405	0.7
225.00911	0.8
225.11266	71.6
226.11667	4.5
229.14388	1.7
230.14722	1.1
235.08261	3.6
243.12306	2.6
253.09258	1.0
263.07660	0.7
265.13348	1.3
281.16046	0.9
287.07794	0.9
299.14938	2.3
305.08850	1.2
314.26053	0.7
372.17035	0.7
387.21585	0.7
397.08350	1.4
397.13486	25.1
398.13663	2.1
415.09000	1.1
415.14548	21.2
416.14709	1.8
443.19519	1.1
461.19962	1.5
519.23785	1.3
579.25757	1.8
605.24390	1.7
623.25354	78.1
624.25970	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	623.2387
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
55.76486	0.6
57.03308	0.9
59.01250	17.0
61.98713	3.8
67.01758	0.7
71.01259	5.2
71.58758	1.0
72.99171	0.7
73.02821	1.3
75.00743	0.8
78.95765	4.2
79.95590	1.0
80.96381	3.3
81.03338	0.7
85.02818	2.8
86.54264	0.7
87.00750	1.6
89.02332	4.0
93.03333	3.6
94.97931	0.9
96.95899	8.1
96.96839	0.9
98.30647	0.7
101.02320	3.4
108.02026	5.1
109.02833	9.9
109.06439	1.2
113.02336	2.0
118.97966	2.3
119.03338	0.9
119.04877	0.8
123.04385	1.6
125.02365	1.5
129.01796	0.6
130.04167	0.8
133.02866	1.5
134.03613	2.6
134.05956	0.9
135.04407	5.3
137.02345	5.6
146.03610	1.5
149.06015	0.6
151.03908	0.8
152.99484	1.7
158.03622	3.4
159.04436	9.5
163.03973	0.7
167.03442	0.9
171.00555	0.8
173.04486	2.6
173.05994	4.7
175.05984	0.7
175.94623	0.6
177.01851	9.8
179.03419	1.6
191.05508	4.6
193.04962	2.2
202.05040	2.7
207.10185	2.8
209.11638	0.9
211.07635	0.7
214.05029	18.1
215.05450	1.3
216.06615	3.0
225.11305	3.0
237.05434	1.7
238.06270	1.4
239.07080	2.2
240.04301	1.7
241.01074	1.3
241.05096	1.0
249.05493	2.4
250.06331	2.2
251.07079	1.4
252.07866	0.9
264.07825	1.6
265.05054	2.4
266.05832	5.7
267.06598	18.6
268.07373	7.4
269.04401	1.0
280.07480	2.2
281.08173	14.7
282.08966	9.8
283.06448	1.2
283.09708	15.9
284.10141	1.3
289.17807	1.8
293.04492	1.3
295.09723	1.5
296.10461	1.0
297.11395	3.9
310.07120	2.2
321.06412	1.8
322.07138	8.6
322.10822	8.0
323.07715	1.0
324.08649	1.0
326.10324	2.5
335.11569	1.2
336.08688	3.5
336.12384	13.5
337.12952	1.2
338.10223	0.9
350.13986	1.3
375.27179	0.9
377.11563	0.8
397.13287	0.7
400.11685	0.7
415.14240	0.7
428.10709	1.2
428.15683	1.2
429.12000	5.3
430.12753	5.4
443.13617	5.0
444.14468	26.4
445.15085	9.7
446.15607	1.1
458.15967	7.2
459.16849	0.9
460.17639	54.6
461.17960	7.7
499.19107	1.5
503.32376	1.3
579.33386	2.5
623.23969	100.0
624.24249	18.5
636.06476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12638	0.4
58.85741	0.4
59.01252	3.1
65.00181	1.1
71.01255	1.4
73.02820	0.5
81.03325	0.5
85.13943	0.4
87.00758	0.5
89.02320	1.3
96.47984	0.4
96.95874	0.9
97.02847	0.7
101.02319	1.0
107.01268	1.5
109.06464	1.7
113.02312	0.6
119.03380	0.5
124.54507	0.4
125.02345	1.0
135.04433	0.6
143.04932	0.5
145.02850	1.1
151.00267	5.6
155.04926	0.6
163.11162	1.2
171.04445	0.8
173.04428	0.5
175.03928	1.0
181.12363	0.6
183.04463	2.3
185.02332	0.8
187.03918	1.0
191.05537	0.9
199.03917	5.1
200.04520	0.5
201.01840	0.8
203.03458	0.9
207.10226	6.4
211.03899	1.0
215.03477	3.2
216.04112	0.5
221.04532	1.1
225.11287	3.5
226.02588	0.9
227.03433	5.5
235.03200	0.5
242.02132	4.6
243.02957	26.4
244.03421	2.4
254.02174	0.6
255.02972	15.6
256.03381	1.2
257.04565	3.2
270.01663	3.7
271.02466	39.9
272.02945	4.1
285.04059	5.7
286.04639	2.4
287.05432	1.3
299.01956	49.0
300.02682	20.1
301.03000	1.0
311.07672	0.6
313.03574	0.7
314.04297	41.8
315.05066	37.3
315.08939	0.8
316.05472	2.5
355.45569	0.5
357.05954	1.0
359.98993	0.5
389.16040	0.8
397.13538	1.4
415.14539	1.7
489.80478	0.5
519.32013	0.6
607.98022	0.5
622.37708	2.3
623.16162	100.0
623.25092	5.7
623.38007	2.4
624.16522	13.9
624.25647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.3
60.87843	0.5
65.00208	1.5
70.17725	0.5
71.01241	1.6
71.57794	0.5
73.02811	0.8
81.68768	0.5
83.01254	1.0
83.04908	0.6
85.02822	1.2
89.02310	1.0
89.17746	0.5
95.01275	0.7
96.56015	0.6
96.95889	3.3
101.02312	1.1
107.01257	1.9
109.47064	0.5
113.02293	0.8
121.02896	0.6
125.02321	0.6
134.03610	0.5
135.04375	0.8
145.02843	0.9
151.00279	6.8
155.04846	0.8
157.02876	0.5
159.04430	0.7
161.02357	0.9
169.01335	0.9
171.04411	1.2
173.04543	0.9
175.03891	1.0
178.99780	3.3
183.04459	1.6
187.03920	1.3
191.05550	3.3
199.03943	7.7
201.01949	1.3
203.03468	1.4
207.10187	1.6
214.02510	0.6
215.03392	4.7
225.11279	2.1
226.02574	0.8
227.03435	7.1
228.03848	0.8
229.01399	0.7
241.01427	1.1
242.02188	6.3
243.02954	31.2
244.03407	2.6
245.04630	0.7
255.02968	13.5
256.03229	0.7
257.04544	6.1
270.01675	7.4
271.02472	42.3
272.02936	4.0
283.02600	1.4
284.03253	1.2
285.04050	13.7
286.01682	0.6
286.04691	4.2
287.02216	1.1
287.05521	2.2
298.01114	0.9
299.01968	64.8
300.02646	16.9
301.03146	2.2
313.03528	2.8
314.04312	90.9
315.01538	1.5
315.04984	34.6
316.05347	2.3
341.57559	0.6
357.06082	1.1
388.25735	0.6
459.09302	1.3
622.37964	3.8
623.16180	100.0
624.16443	15.5
624.39630	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	622.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
55.58775	0.7
57.03315	1.7
58.00459	0.6
59.01249	21.9
61.98697	0.6
67.01736	1.0
69.03318	0.9
71.01247	9.7
71.04868	1.6
71.57558	0.9
72.99180	1.3
73.02813	4.6
74.47409	0.7
76.06355	0.7
81.03328	1.7
83.01247	1.2
83.04887	2.7
85.02816	4.1
86.02336	0.9
87.00735	2.7
87.04375	4.7
87.93784	0.7
88.03915	4.6
89.02316	7.1
90.18585	0.7
93.03329	3.5
95.04888	2.6
96.95877	6.2
97.02296	0.6
97.02830	4.0
97.06467	1.9
99.00744	0.8
99.04367	1.3
100.03913	2.2
101.02309	6.7
101.05959	1.3
109.06477	15.4
111.08035	2.0
113.02319	2.5
113.05981	0.8
119.03365	1.1
121.06466	0.9
123.08035	1.4
125.02305	1.9
125.05978	0.9
131.07030	9.2
134.03627	0.7
134.05968	0.7
135.04378	1.5
135.08018	2.2
136.05196	0.9
137.09598	0.7
141.09113	0.9
143.03317	1.0
143.06941	1.3
143.34317	0.7
149.09637	0.8
151.00266	1.5
155.10687	1.1
160.09702	3.6
161.04459	1.3
163.11215	7.6
173.04462	2.3
179.03322	0.7
179.05600	1.0
181.05489	0.6
181.12270	2.5
191.05498	8.3
207.10201	30.7
209.11790	0.8
209.15332	1.4
225.11275	22.2
227.03447	1.5
235.08270	1.7
243.02980	1.8
255.02946	1.6
271.02515	8.2
272.03201	3.0
285.03650	0.9
294.44882	0.7
299.01993	7.0
300.02783	12.3
314.04260	2.2
315.05063	8.5
321.23767	0.7
323.22116	1.1
369.13293	2.7
369.22540	3.6
372.36667	0.7
385.26157	1.9
387.23871	5.4
397.13495	12.3
415.14603	9.0
447.25861	1.4
449.15128	0.9
518.30566	1.5
519.31805	1.7
544.34875	3.3
604.37036	2.2
622.38049	100.0
623.16034	11.0
623.25568	23.9
623.38300	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	622.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.1
59.01250	100.0
59.81630	1.4
60.01571	1.9
61.98701	15.6
68.99660	1.6
69.03309	4.6
71.01249	31.7
71.21935	2.6
71.22266	2.2
72.99169	3.7
73.02821	17.3
73.79071	1.5
79.95595	2.8
80.04922	6.5
80.96394	7.1
81.03302	1.7
83.01260	4.2
83.04900	2.6
85.02827	12.8
87.00755	5.4
89.02315	19.8
93.03333	7.0
95.01256	3.6
95.04828	1.7
96.95892	16.1
97.02809	3.8
99.00755	2.9
101.02323	24.8
102.02701	3.0
104.04896	3.3
106.06516	9.0
108.04448	4.3
109.06432	2.9
110.87823	1.8
111.04382	1.7
113.02322	12.1
118.13390	1.5
119.03351	5.8
119.04906	5.8
122.06001	5.7
125.02309	4.9
130.06458	2.3
133.02843	1.7
134.03627	3.7
134.06015	37.8
135.04407	3.5
136.07578	3.5
137.02351	3.9
143.03366	2.7
146.06013	3.4
148.03941	2.5
148.07535	3.9
151.00220	2.4
152.07033	7.2
155.03413	2.0
160.04034	3.2
161.04451	3.7
163.03909	4.6
173.04475	9.2
174.05498	5.6
179.03404	2.9
179.05464	3.3
179.14249	2.5
180.06628	9.8
185.11780	3.2
186.05516	3.4
188.07095	23.7
191.05455	9.7
194.08195	3.2
195.13852	4.9
196.14151	2.7
205.12358	2.1
206.12564	2.5
211.08704	3.1
223.08702	2.9
223.13338	43.5
224.13681	27.4
225.00571	2.5
225.10338	6.4
227.11879	7.4
234.07643	2.7
235.08438	3.4
237.10373	2.9
238.07487	3.2
243.11932	1.8
251.08173	4.3
251.11983	3.3
252.09053	3.0
253.09892	10.6
253.12215	1.6
263.08115	3.4
265.09784	5.4
267.11349	5.9
277.09756	8.4
279.07681	6.1
279.11237	5.7
280.08383	2.1
291.07806	2.8
292.08499	6.4
293.09338	6.4
293.12662	2.2
294.10043	4.1
295.10849	33.8
296.11230	2.1
305.09262	4.7
306.10062	2.4
307.10892	22.6
308.11319	2.4
355.24518	1.9
356.13852	2.2
357.26401	5.4
373.25845	18.3
374.18814	2.4
374.26166	20.3
375.27396	16.5
386.14798	2.0
397.13535	18.7
398.13834	16.6
400.16742	3.4
401.17056	2.0
414.18353	2.0
415.14465	9.0
416.14877	10.5
440.16354	1.9
442.17615	24.9
443.18185	3.4
460.18417	5.8
486.16595	7.5
502.19812	87.2
503.20267	13.7
518.19037	2.2
519.31555	4.6
537.32904	12.4
546.18829	80.2
547.19226	13.6
577.32153	3.2
578.21338	8.8
578.32471	15.7
579.33820	53.6
621.40436	4.8
622.28882	6.7
622.40796	4.4
623.23877	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	621.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25116	0.9
56.25627	0.8
57.03311	1.2
58.00464	1.5
59.01248	33.1
61.98709	1.0
68.05957	0.8
71.01250	11.7
71.02563	2.3
72.99183	2.0
73.02817	5.3
78.95808	0.9
83.01250	1.9
85.02825	5.2
87.00756	4.7
89.02313	6.6
93.03342	1.4
94.91653	0.8
95.01264	1.5
96.95882	8.0
97.06504	0.8
99.00737	1.7
101.02332	7.3
109.02863	0.8
113.02316	4.4
119.03370	1.8
121.02820	0.9
125.02312	0.9
125.09544	1.3
134.03638	1.3
135.04422	2.8
137.02353	1.5
140.11938	0.9
149.76328	0.9
155.10545	1.3
157.12239	0.9
161.02321	1.1
169.12247	1.1
171.10164	1.7
173.04512	1.6
177.01865	1.6
179.03398	0.8
179.05550	1.0
185.11772	2.8
191.05521	2.4
195.06493	0.9
215.12817	5.9
223.13387	3.3
229.14546	0.9
242.02107	1.1
270.01736	1.3
271.02090	1.2
295.17923	0.8
325.23889	2.4
343.24847	3.7
355.24829	7.4
356.25085	1.2
357.44513	1.0
371.24359	1.2
373.25916	24.6
374.26215	2.8
397.13565	1.4
517.30139	9.1
518.30536	1.1
535.31354	15.3
536.31622	2.2
577.32245	100.0
578.32727	14.8
621.16010	4.6
621.34747	1.2
631.32269	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	621.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37866	0.7
54.71175	0.7
59.01252	15.9
71.01250	8.1
72.69406	0.8
73.02811	3.2
82.85535	0.7
83.01290	0.9
85.02823	4.1
87.00784	1.4
89.02315	4.1
93.03339	2.1
95.01277	1.5
96.95857	1.9
97.42860	0.8
99.00726	1.2
101.02293	4.3
109.02854	2.6
113.02328	3.5
119.03366	1.3
123.00769	2.7
125.02338	1.5
135.04427	2.5
137.02339	10.8
151.00264	21.4
151.03883	1.6
152.01068	1.7
152.04678	3.1
155.10648	0.9
161.04416	1.3
164.04700	1.0
166.02628	58.6
167.03253	3.7
175.03899	1.7
177.01833	3.2
179.03453	2.5
181.04985	80.2
182.05319	4.1
184.03656	1.4
190.06073	1.2
191.05479	1.3
192.04234	2.2
192.05914	0.8
193.04893	1.0
196.57823	0.8
205.05009	1.8
205.08606	1.0
207.06537	1.1
221.09122	0.7
227.03520	4.4
255.02946	6.5
284.03284	9.4
285.03845	2.4
301.07495	0.8
359.11407	1.7
371.15469	1.1
373.25906	1.0
387.10825	17.6
387.15579	1.2
388.11215	2.4
402.13251	7.8
403.13837	2.2
417.15540	100.0
418.15897	14.2
464.67526	0.9
517.30072	5.0
535.31055	1.7
561.29065	3.9
562.29474	0.9
579.30237	2.9
620.36804	1.3
621.14331	4.7
621.36859	1.5
622.37915	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	620.284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78769	0.2
59.01249	2.2
61.98690	0.9
62.41107	0.2
62.96295	0.4
70.94231	0.2
71.01241	0.9
71.04889	0.8
71.57831	0.2
73.02808	0.3
75.00742	0.9
76.91090	0.2
78.95775	100.0
83.04897	0.2
85.02829	0.5
89.02318	0.4
93.03336	0.5
96.95889	0.4
96.96847	5.4
101.02357	0.4
113.02340	0.4
115.07520	0.8
121.47392	0.2
124.83630	0.2
127.11193	0.3
128.03404	0.3
134.03502	0.2
135.41104	0.2
152.99480	0.8
157.01160	0.2
169.10825	0.3
169.12251	3.7
171.00551	71.6
171.10179	4.8
172.00848	1.3
172.10527	0.9
173.04416	0.3
173.10619	0.3
174.11078	0.2
180.03754	0.2
191.05513	0.9
195.17363	0.3
195.38577	0.2
198.37538	0.2
209.11678	1.1
210.12099	1.2
211.12427	0.3
214.02583	0.3
227.12906	0.8
241.01407	0.3
242.02112	1.1
243.02449	0.2
245.00909	0.4
257.05789	0.3
270.01675	0.8
271.02164	1.0
281.17603	1.7
282.05807	0.2
294.07239	0.4
298.01218	0.3
299.01675	0.5
301.02994	0.3
350.12891	0.2
375.22006	0.3
390.81888	0.2
544.10608	0.2
620.17017	3.1
620.26398	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	619.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.5
59.01251	28.2
61.98693	2.0
69.29972	5.9
69.30378	1.6
71.01252	9.4
72.99173	1.6
73.02444	1.1
73.02821	7.7
74.02332	0.7
83.01270	2.1
83.04896	1.1
85.02834	4.8
85.06461	0.8
87.00732	2.0
87.04412	1.1
89.02310	4.1
93.03342	2.8
95.04937	0.8
96.95894	9.2
97.06462	1.5
101.02326	6.6
102.41669	0.7
109.02842	0.9
113.02313	3.7
119.03365	1.3
119.04887	3.8
123.08062	1.3
125.09610	1.3
128.06999	1.0
133.02805	1.0
134.03664	1.5
135.04413	2.2
137.02295	1.5
137.09674	0.9
139.11157	1.9
141.12761	1.0
145.02864	1.8
151.00282	2.2
155.10596	1.5
158.03596	0.8
160.01537	1.9
161.02347	2.5
161.04486	1.1
162.05626	0.9
163.03966	1.0
171.10181	3.0
172.01599	1.1
172.10536	1.1
173.04477	4.7
175.03882	2.9
178.99777	1.9
179.03403	1.3
185.11766	7.0
186.03160	6.7
189.01886	1.1
191.05527	4.3
193.05080	0.8
198.03096	1.9
209.11742	1.4
213.11172	0.8
214.02661	15.1
214.11922	0.8
215.02924	1.6
216.00627	0.9
217.01454	1.0
241.01385	23.5
241.05099	0.9
241.14436	1.1
242.02158	33.8
243.02531	3.6
243.15944	1.8
245.00858	18.0
246.01237	1.8
253.08900	0.9
270.01682	49.7
271.02277	10.0
272.03107	0.9
273.00516	1.1
282.11414	3.7
285.46646	0.8
298.01181	24.0
298.04562	1.3
299.01706	6.2
300.02643	1.3
311.05569	0.9
311.22488	0.8
325.07016	1.1
337.09555	1.5
339.05042	1.5
339.08832	1.3
341.23264	4.7
353.06622	4.1
353.23160	4.4
357.09665	1.5
367.08267	3.1
368.08630	1.5
369.22949	1.0
371.24356	93.7
372.24765	8.9
396.08441	9.8
397.09274	5.2
413.25388	1.3
414.09573	13.9
415.10178	3.4
457.21310	1.0
499.29236	1.5
575.30646	9.9
601.15588	6.3
602.15637	1.4
619.16675	100.0
619.33875	5.6
620.16748	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	619.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68166	2.0
57.03313	3.4
58.00450	2.4
59.01251	100.0
63.02263	5.0
65.00182	6.7
69.03316	3.5
69.58087	2.2
69.97598	4.4
69.98013	9.0
71.00890	4.5
71.01257	62.3
72.99170	5.5
73.02816	25.7
81.03311	2.7
83.01261	12.1
83.04886	3.6
85.02824	27.2
87.00740	13.1
89.02323	21.1
93.03346	11.3
95.01260	6.6
96.95908	16.8
98.31087	2.5
99.00761	5.4
101.02329	53.5
105.80272	2.2
107.01262	10.0
109.02796	4.2
111.00745	3.5
111.04359	3.4
112.58715	2.5
113.02334	30.8
115.19127	2.3
116.92735	3.2
119.03391	10.1
123.00784	2.8
124.01552	8.9
125.02356	18.3
131.03419	2.4
135.04439	5.7
137.02365	10.7
143.03383	6.7
151.00267	37.7
152.01050	15.0
153.01735	3.0
159.02881	4.4
161.02330	3.3
161.04448	22.4
163.03886	3.5
169.01311	8.0
173.04463	10.3
173.05905	4.1
178.99811	30.7
179.03363	3.6
179.05527	5.1
191.05524	16.0
203.05452	3.5
208.40044	2.2
209.15424	4.7
215.07225	5.6
238.54594	2.3
245.06749	2.8
253.05148	3.0
271.02356	5.2
300.02731	4.5
305.08661	3.3
311.01987	7.8
313.03400	3.1
333.07648	7.9
336.06305	2.3
353.06616	82.1
354.06946	7.6
361.07169	9.8
370.06693	2.5
371.20761	19.1
378.07529	2.6
379.08057	11.8
380.08328	3.2
396.08356	2.6
397.09042	7.1
493.13269	3.5
499.29282	3.1
515.24884	46.1
516.25366	9.2
531.29712	2.9
533.25818	39.0
534.26440	6.8
575.14368	3.3
575.27069	7.0
601.15552	70.3
602.16638	11.2
619.16449	14.5
619.26959	8.7
620.16882	4.5
620.27576	3.1
620.36414	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	619.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.0
58.00459	4.8
59.01249	100.0
63.62649	0.8
69.03313	1.0
69.28271	5.4
69.28677	2.5
71.01254	56.3
72.23537	0.7
72.99182	6.1
73.02816	23.3
73.03233	1.1
75.00758	1.5
75.82334	0.8
83.01254	8.0
85.02823	8.5
87.00752	3.1
89.02316	58.9
90.02625	1.1
93.03312	1.6
95.01262	4.7
95.26099	0.8
96.95872	3.7
99.00735	1.4
101.02322	34.6
113.02328	24.0
119.03388	19.7
119.04881	2.7
128.44618	0.8
131.03389	4.7
135.04395	1.2
137.02362	1.7
143.03407	5.4
149.04439	5.2
161.04456	8.9
163.03864	1.2
165.27484	0.9
165.56221	0.9
173.04416	1.1
179.05518	12.1
191.05524	2.6
196.69553	0.8
221.06654	1.4
291.79446	0.7
317.56586	0.9
353.49936	0.9
445.11432	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	617.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.3
58.00456	0.3
59.01254	3.3
68.43428	0.2
71.01252	2.7
71.04401	0.3
73.02821	0.8
80.02538	0.5
81.03336	0.7
83.01271	0.6
83.04904	3.5
84.02045	0.6
85.02815	0.8
87.00752	0.5
89.02325	1.6
95.04916	0.4
96.95876	0.3
97.06448	0.5
101.02317	2.7
109.06471	0.3
113.02345	1.1
119.03417	0.5
125.09621	1.0
127.11160	1.7
131.30083	0.2
135.08026	0.5
143.03407	0.3
145.04962	0.3
147.11760	0.2
153.09079	0.4
161.04439	1.1
163.11197	2.9
165.12759	1.4
171.10178	100.0
172.10515	4.2
179.05569	0.4
181.12213	0.4
185.09229	0.2
191.10645	0.6
199.13281	0.3
209.11766	83.5
210.12115	5.0
227.12831	11.4
228.13132	0.6
235.08192	2.5
235.97836	0.2
253.09238	8.0
254.09673	0.3
258.01633	0.3
265.40802	0.3
270.37549	0.2
407.19189	1.1
445.20615	0.8
581.29694	0.3
617.15155	0.4
626.00195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2617
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
53.36064	0.9
59.01251	13.7
60.01592	1.0
61.98737	0.8
63.02269	1.0
65.00205	1.1
69.66135	5.9
71.01265	3.9
73.02807	1.1
83.01241	1.1
83.04903	1.2
84.04435	1.3
84.93687	0.8
85.02825	2.1
89.02338	2.0
93.03325	2.4
95.01286	1.2
95.03642	2.9
96.95903	1.8
98.19816	1.9
99.00800	0.9
101.02328	2.8
104.04923	1.5
106.06507	4.3
107.01261	1.4
108.04436	3.0
108.08071	22.4
108.08783	1.7
110.06006	0.9
111.00785	1.6
112.03935	1.7
113.02371	1.5
119.03406	1.5
120.04468	1.6
121.05223	1.3
122.06009	10.9
123.00835	1.1
123.03210	0.9
124.07558	8.6
125.02314	1.2
127.00248	1.1
132.04445	59.4
133.05243	20.9
134.06029	18.4
135.04366	1.0
135.06421	1.4
138.05516	1.2
139.00276	3.4
141.01785	1.9
143.04562	0.8
148.03949	3.1
149.04720	3.4
150.05510	28.3
151.00233	5.0
152.01042	1.8
152.07079	2.1
161.04602	1.2
162.05531	5.5
165.04221	36.0
166.04604	1.4
166.99794	3.7
168.00525	1.2
171.10164	5.0
173.04520	3.5
176.07089	2.4
176.21820	0.8
178.99684	4.0
186.09067	1.4
189.05421	1.1
191.05530	4.0
193.04976	1.3
193.93008	0.9
194.99290	3.2
198.09215	1.6
209.11787	5.1
213.06638	3.1
214.06714	1.0
214.12305	4.9
215.11800	10.9
215.13403	0.8
225.06650	1.3
225.10284	1.5
226.07507	2.1
227.08340	1.6
227.11812	1.3
229.09772	6.1
229.13477	2.6
239.08173	1.2
239.11664	1.2
240.08614	1.6
240.10313	3.4
241.09795	8.2
241.13448	2.1
243.02977	1.2
255.06897	1.4
255.11345	7.7
256.11960	1.1
257.12936	78.0
258.13257	6.9
265.09833	1.1
267.11447	2.2
268.08582	1.1
268.11957	1.2
269.12955	1.8
271.02515	3.7
271.14471	12.1
283.10883	26.1
284.11124	1.3
291.06662	1.1
300.02832	3.1
300.11179	2.1
301.03107	0.9
301.11911	29.0
302.12277	1.9
315.13586	1.3
327.09918	5.5
349.07175	1.2
369.09744	1.0
377.06519	2.2
392.19730	1.4
395.07858	3.8
403.18710	1.0
404.19977	1.2
412.07880	1.0
413.08405	2.0
413.70670	1.0
436.18774	1.5
448.18634	1.1
475.12805	1.0
505.09930	1.0
555.26080	2.4
557.23981	28.4
557.32574	1.8
558.24274	4.9
571.26111	1.1
573.15906	1.6
573.28931	1.8
581.23865	1.5
599.25104	100.0
600.25439	19.1
617.15216	14.0
617.26166	56.4
617.36255	1.9
618.15686	4.3
618.26514	10.1
618.35004	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	617.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.5
59.01248	7.3
61.98687	2.0
63.02271	7.4
65.00193	5.6
70.14744	0.5
71.01245	3.3
71.04881	0.8
71.58355	0.8
72.99159	0.7
73.02822	2.8
75.00739	0.6
81.03327	0.7
83.01256	7.0
85.02823	1.5
87.04368	1.4
89.02313	1.9
93.03313	1.2
95.01324	0.7
96.95892	7.0
98.95482	1.1
99.04403	3.2
101.02319	3.0
107.01261	13.5
109.02835	0.8
113.02324	1.3
118.97961	0.7
119.04884	0.8
121.02835	0.8
122.05971	0.9
125.02346	7.2
128.03352	0.7
135.04431	1.4
137.02353	1.1
145.02745	0.8
146.03609	2.7
147.04414	3.3
151.00266	35.1
152.00986	2.7
153.01842	3.0
159.04410	0.9
161.02312	1.2
161.04433	0.9
163.00258	1.1
163.03938	0.9
165.01830	1.6
168.00563	0.6
169.01328	10.5
173.02403	1.3
173.04530	1.3
173.05884	0.7
174.03120	18.1
175.03912	9.3
177.01874	0.8
178.99776	46.0
180.00101	2.3
181.01321	0.8
185.06122	0.6
187.03937	1.8
187.07526	0.9
191.05498	2.6
196.05118	0.7
199.04039	1.2
201.05508	0.7
203.03439	8.1
203.06995	1.3
209.06018	0.8
211.03992	0.8
213.05594	1.1
214.02696	0.7
215.07048	2.4
216.00499	1.0
225.05467	1.5
227.03525	1.1
229.05014	2.0
230.05762	3.0
231.06679	3.5
232.07388	1.6
233.08047	1.0
235.03914	1.0
236.04742	1.3
237.05583	1.5
241.05042	2.5
243.06595	4.3
251.03464	1.1
252.04314	0.8
253.05052	1.4
263.03503	1.9
264.04312	1.2
265.04742	1.3
269.04520	3.9
270.05405	0.8
279.02893	1.9
280.03796	3.8
281.04449	3.0
286.01172	0.8
293.04233	1.1
294.05103	0.8
297.00571	0.6
307.02509	0.9
308.03201	8.1
309.04022	7.7
309.07382	1.0
310.04544	1.4
315.01416	0.7
319.12939	0.8
336.02762	11.7
337.03519	100.0
338.03882	12.3
339.04773	0.9
349.07175	0.9
367.08218	1.2
369.22943	7.5
372.93213	0.6
377.06683	2.7
395.07693	30.8
396.08380	2.9
396.12839	0.6
413.08667	6.5
559.11780	0.6
573.28918	1.6
575.14044	1.3
617.14954	15.9
617.23761	0.6
618.15491	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	616.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50093	0.1
59.01228	0.1
71.57863	0.2
74.37963	0.1
78.95770	1.0
79.95600	2.5
80.33239	0.1
96.95883	100.0
97.95832	0.4
98.02355	0.1
115.75375	0.1
152.99562	0.2
171.10155	0.2
191.05492	0.2
209.11742	0.2
220.85477	0.1
270.33032	0.1
279.23212	0.2
297.76514	0.1
323.76758	0.1
389.07739	0.1
616.40686	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	615.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.7
57.66910	0.4
59.01255	5.1
61.98697	0.7
69.03317	0.7
71.01269	2.5
71.58220	0.7
72.99185	0.4
73.02827	1.6
75.00780	0.4
78.95762	0.5
81.03341	1.8
83.01260	0.7
83.04884	0.6
85.02820	4.2
87.00751	0.4
87.04382	3.6
89.02284	0.5
93.03341	1.6
95.01272	1.7
96.95893	6.2
97.02843	0.9
98.83290	0.4
98.87566	0.5
101.02340	1.2
108.02055	57.2
109.02847	28.5
109.03605	1.0
110.03189	0.9
113.02340	1.2
121.02848	1.5
123.00751	1.5
123.04433	1.1
125.02351	1.0
125.03441	0.5
133.02869	0.6
135.04376	0.9
135.08104	0.5
137.02324	1.0
137.09618	4.3
139.00250	1.0
151.03918	1.2
152.01060	71.7
153.01851	26.5
154.02158	0.9
155.10689	25.1
156.11034	1.8
163.03896	1.2
165.01831	2.1
167.03339	0.5
167.10629	0.6
169.12282	1.3
173.04440	1.1
174.01645	0.6
179.10715	2.1
181.08612	2.1
191.05507	1.7
191.10663	1.3
195.06526	0.7
195.10175	0.7
199.09669	7.4
213.11261	0.6
241.10808	1.9
255.12398	0.8
283.11877	1.7
393.06622	0.5
453.17294	1.4
497.16650	19.5
498.16867	1.9
615.22949	100.0
616.23315	16.0
616.32251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.1
60.28930	0.1
67.35323	0.1
70.91109	0.2
70.91451	0.2
78.95766	0.9
79.94884	0.1
79.95609	2.7
95.57156	0.1
96.95889	100.0
97.95808	0.3
107.18308	0.1
109.06490	0.1
152.99474	0.2
154.57353	0.1
171.10143	0.3
207.10219	0.2
225.11342	0.2
277.21829	0.1
443.66544	0.1
518.67377	0.1
540.56311	0.1
615.30066	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	613.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.5
75.00743	1.0
78.41515	0.8
78.78831	0.8
79.95638	1.3
84.27367	0.7
96.95887	100.0
98.95457	4.2
127.68648	0.8
134.05093	0.7
137.02315	0.9
150.04106	1.9
152.81769	0.7
186.31799	0.8
191.05528	1.1
207.89091	0.9
229.71614	1.1
254.84161	0.9
289.51648	0.9
305.10635	61.5
306.11032	7.4
307.10742	2.8
625.19281	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	613.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	25.3
68.46304	11.6
70.87431	32.2
71.01252	59.6
73.02818	16.1
78.95782	23.3
89.02275	12.7
93.03327	17.8
96.95922	17.5
99.00826	13.2
101.02319	24.8
109.06461	16.5
113.05969	22.1
152.99496	15.6
161.04395	18.8
171.10133	76.2
173.04466	47.2
191.05551	20.8
197.11766	89.9
199.09586	58.9
207.10190	93.6
209.11766	100.0
210.12112	18.3
223.13318	65.8
225.11272	42.0
227.12862	16.5
247.87476	11.5
253.09247	53.1
310.68567	13.4
375.79834	13.7
435.18683	28.7
461.20291	38.9
613.27948	26.8
613.38641	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	613.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10020	0.5
55.70628	0.6
57.38731	0.5
59.01255	1.1
69.03309	2.2
69.82864	2.0
87.90573	0.5
91.32216	0.6
108.16179	0.5
139.11150	3.2
155.10684	8.9
165.09070	0.8
171.10156	3.8
183.10190	51.3
184.10519	2.1
205.08385	1.3
238.08142	3.8
277.21719	12.4
278.22156	0.6
295.22772	100.0
296.23123	7.1
315.19516	0.7
317.20969	32.3
318.21292	2.1
361.20010	4.5
362.20352	0.8
389.21902	0.8
523.41089	0.5
613.44409	42.2
614.44696	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	612.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42326	1.6
59.01252	46.3
64.39687	1.9
71.01271	1.5
71.44535	3.2
79.58621	1.5
83.92480	1.4
96.95863	2.4
100.12627	1.4
106.06488	6.3
110.02335	1.9
112.03932	8.6
122.05989	8.2
123.03134	16.6
124.03922	13.2
132.04434	10.3
134.06013	100.0
135.06316	4.4
136.07524	1.5
138.05504	66.1
139.05844	2.4
140.07065	2.5
141.87328	1.7
146.06020	30.8
148.07570	2.9
150.05577	1.8
152.07056	5.9
160.07574	3.2
166.04991	3.4
170.13321	1.5
182.04485	6.9
183.05344	2.4
184.06142	16.1
185.47023	1.6
191.05554	2.4
198.13203	1.6
234.93701	1.6
251.08380	1.9
253.13411	15.5
255.11372	3.4
267.11386	3.2
273.12341	2.5
279.11368	18.2
280.11710	1.8
281.12933	97.5
282.13089	6.1
299.14014	2.1
307.11084	2.5
339.13409	11.7
341.15012	48.4
342.15353	5.8
353.70529	2.0
367.12933	4.9
385.14206	4.1
392.16080	3.5
402.18051	3.1
404.16068	3.3
420.19421	4.9
429.36707	1.8
446.17166	3.6
452.18442	4.7
462.20276	3.9
464.18198	11.9
465.18716	2.0
480.21613	9.1
506.19278	30.3
507.19510	4.9
524.20349	74.6
525.20831	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	612.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	52.4
61.73178	1.1
68.16263	1.0
71.01257	2.7
71.57764	1.5
85.02841	1.7
87.00730	2.1
94.06570	1.4
96.95887	5.3
101.02363	1.2
106.06506	6.6
107.56112	1.1
110.02375	1.8
111.04277	1.1
112.03908	9.7
116.04982	2.0
118.06512	2.2
119.04856	1.3
122.06010	8.0
123.03145	18.3
124.03934	13.5
132.04459	9.9
134.06010	100.0
135.06367	3.9
138.05502	60.6
140.07068	3.7
144.04408	2.5
146.06018	24.4
148.07581	3.5
151.17560	1.2
152.07094	4.3
158.06012	1.3
160.03955	1.3
160.07605	3.7
166.05002	2.9
173.04459	2.4
180.06557	2.5
182.04529	3.2
184.06030	10.6
191.05560	4.9
208.09760	1.5
214.08601	1.2
223.08598	1.5
227.12813	2.0
228.13234	1.2
235.33035	1.2
239.11879	2.0
245.09317	1.4
251.11957	2.7
253.13443	14.0
255.11324	4.6
256.97952	1.5
267.11426	4.6
279.11401	15.4
280.11627	2.5
281.12930	75.2
282.13156	6.6
287.15002	2.4
288.15414	1.5
299.14120	3.1
307.10788	2.7
339.13507	11.8
341.15048	39.6
342.15363	3.8
367.12936	2.7
385.13965	1.6
392.16095	3.3
402.18054	2.4
404.16055	1.5
420.19244	3.2
446.17010	1.9
452.18323	3.4
462.20514	3.1
464.18298	9.6
480.21399	7.0
482.19321	1.6
506.19266	21.5
507.19464	3.2
524.20361	51.7
525.20709	7.1
612.16364	1.5
612.25873	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	611.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26859	6.4
59.01240	27.1
61.98704	12.9
71.01221	9.7
78.95776	47.6
93.03297	7.6
96.95906	12.3
96.96812	9.9
98.20651	9.8
101.02375	7.0
135.04430	6.1
152.99452	55.1
160.14680	7.4
171.10190	6.1
173.04468	16.5
177.23866	6.2
191.05473	18.3
195.13815	17.2
209.11801	16.0
223.13272	7.6
227.12912	9.3
241.01129	15.6
241.71994	6.7
266.07141	7.1
277.21677	13.3
295.22797	40.4
315.04706	8.3
338.67227	6.6
611.28375	100.0
611.37677	6.6
612.28052	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	611.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12184	0.3
57.03315	1.9
58.00462	0.7
59.01251	42.8
60.01576	0.4
61.98688	0.3
66.77416	0.3
67.39371	0.3
68.80212	0.3
69.03341	0.6
69.56000	0.4
71.01253	5.2
72.52142	0.3
72.99187	0.7
73.02822	1.9
79.95600	0.5
80.96398	0.4
81.03345	0.7
83.01254	0.6
83.04900	0.8
85.02830	2.9
87.00726	1.5
87.04382	1.0
89.02318	1.2
93.03330	2.6
95.01263	0.5
95.04900	0.9
96.95877	0.8
97.02814	0.6
97.06436	0.5
99.00776	0.5
99.04398	0.9
101.02308	2.1
107.02830	0.3
109.02838	1.0
109.06507	0.7
111.04366	0.4
111.08025	0.4
111.84402	0.4
113.02356	1.5
113.05946	0.4
119.03422	0.4
119.04887	0.8
121.06475	0.3
122.50631	0.3
123.08039	0.3
125.02350	0.6
125.05975	0.7
127.03897	0.5
133.02888	0.4
134.03621	0.5
135.04413	3.2
136.05167	1.2
137.02364	0.6
137.09605	0.6
138.06773	1.9
139.07565	1.3
139.11186	19.7
140.11519	0.9
145.02844	0.6
150.55168	0.3
151.07549	1.4
151.11217	0.7
152.08316	2.4
153.09108	6.8
155.03427	0.4
158.03676	0.7
159.02946	0.3
159.04451	0.5
161.02292	0.5
161.09610	1.1
163.03969	0.5
163.11234	2.4
165.09134	1.8
169.12271	1.7
173.04472	4.4
173.05890	0.4
177.01872	0.4
178.02603	0.4
179.03407	3.6
179.10725	1.3
181.10770	0.6
181.12256	6.4
183.10185	24.4
184.10510	1.2
187.07635	0.4
187.11163	0.5
189.03973	1.0
191.05550	4.5
195.13861	0.9
197.11794	1.5
199.13380	0.9
201.09157	0.3
205.12280	6.7
206.12694	0.5
207.05017	1.2
214.06180	0.5
223.13313	1.7
225.11269	9.0
226.11594	0.6
229.08577	0.5
239.12686	0.4
243.12343	2.7
251.06914	0.4
267.12082	0.3
275.09293	0.9
285.13480	0.5
322.04742	0.5
349.14328	0.9
353.08957	0.4
370.77557	0.4
393.13947	0.4
405.18063	0.5
419.11401	0.9
449.14523	1.1
532.25122	0.4
551.28180	0.6
575.28455	0.4
593.21356	0.6
593.29645	2.7
594.30664	0.4
611.30725	100.0
612.31134	17.0
612.38757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.8
71.01241	2.7
71.37990	1.8
78.95772	59.0
79.95589	1.2
80.96399	2.0
93.03327	1.3
94.40412	1.0
96.95920	5.1
96.96839	10.6
97.02694	0.8
97.06504	1.0
100.39001	0.8
102.37658	0.8
113.09587	1.8
124.05276	1.0
125.02338	1.2
128.53978	0.9
141.99355	2.8
152.99484	62.9
153.99800	1.2
171.00558	1.5
171.10107	1.6
173.04410	1.3
191.05569	1.8
195.13837	17.8
207.10191	1.6
209.11833	1.0
223.00032	7.6
241.01152	22.5
242.01593	1.0
259.02243	1.5
275.19962	1.0
277.21729	16.5
278.21887	1.4
285.12448	3.3
295.22757	52.9
296.23108	6.3
315.04819	11.6
316.05133	1.1
325.22412	1.0
333.05853	1.1
354.39807	1.1
486.37289	1.1
496.01315	0.9
567.26001	1.5
611.28278	100.0
612.28534	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	611.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.3
61.98679	1.9
63.96099	1.2
68.26843	0.6
69.03311	0.8
71.01257	13.0
72.99152	0.8
73.02836	3.0
78.95766	2.5
78.98460	5.1
79.95603	10.2
80.96390	70.0
81.03315	0.9
82.95287	0.8
85.02822	5.0
87.00780	3.6
89.02311	1.7
93.03354	2.8
94.97966	15.6
95.01258	0.8
96.95885	1.8
97.02804	2.4
99.00783	1.4
101.02314	5.4
106.97955	2.2
108.50458	0.6
113.02341	3.7
119.03338	0.8
122.97484	5.9
125.02370	3.5
127.03885	0.9
128.88106	0.6
133.02859	1.2
134.03600	1.3
134.97490	5.4
135.04404	2.6
136.99040	1.5
141.11589	0.7
148.66614	0.6
148.99051	7.2
152.98526	6.9
152.99564	1.1
161.02325	1.1
161.04448	0.6
164.98547	11.6
171.10109	1.0
173.04504	3.5
178.02629	1.2
179.03369	1.6
182.99590	1.9
191.05548	3.3
197.11795	0.8
206.99547	3.2
209.11757	2.5
211.13324	0.8
225.00713	17.9
243.01726	2.5
261.20181	0.6
275.09015	1.1
293.21210	1.0
294.21564	0.7
299.04382	2.8
311.22394	1.1
449.14542	1.1
536.29468	0.8
537.30005	2.2
611.27313	100.0
612.27557	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	611.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.5
63.48373	0.5
69.25950	4.5
71.01257	2.0
78.95773	11.3
79.95609	3.3
87.66674	0.4
88.98655	0.7
95.97504	0.4
96.95888	100.0
96.96814	18.2
98.02348	3.8
98.19733	0.9
98.90519	0.8
118.96562	0.8
132.98125	0.5
173.04333	0.5
179.06111	0.4
185.31432	0.5
191.05505	1.0
225.11362	0.7
253.09296	1.3
277.21722	5.5
278.21973	0.5
333.04861	0.6
351.06049	2.6
396.35416	0.5
407.17233	0.9
611.28925	0.8
611.38342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07657	0.7
51.18786	0.7
51.39416	0.7
59.01251	10.1
61.98700	2.4
63.96098	1.0
69.03307	1.4
69.28532	7.7
71.01257	12.9
72.99154	0.9
73.02802	4.1
78.95779	3.0
78.98456	5.6
79.95603	11.5
80.96388	67.4
83.01271	1.0
85.02822	5.6
87.00734	2.9
89.02321	1.5
93.03338	1.5
94.97955	16.1
96.95856	2.1
96.96871	0.9
97.02818	1.9
99.00764	1.9
101.02322	5.3
106.97969	4.1
107.85600	0.9
111.40147	0.9
113.02312	2.1
122.97447	5.0
125.02327	3.9
127.03858	1.5
133.02776	1.0
134.97452	3.8
135.04395	2.8
136.29565	0.9
136.99043	1.6
143.03394	1.2
148.99034	5.4
152.98491	7.9
152.99449	1.9
164.98550	12.4
173.04477	3.9
179.03354	2.4
182.99623	2.3
191.05576	2.5
206.99654	3.5
209.11755	2.4
211.13310	1.0
224.98672	1.6
225.00700	21.3
226.01082	1.5
243.01817	1.8
255.02887	1.4
276.57004	1.0
284.03232	1.4
293.21161	1.1
299.04532	1.7
353.29700	1.0
377.78632	0.9
447.09058	1.6
449.14490	1.9
537.30237	1.8
611.27332	100.0
612.27795	13.4
639.11902	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	611.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	6.0
63.85142	1.1
64.39183	1.0
68.81928	1.0
71.01260	3.3
71.57412	1.3
78.95773	12.4
79.77543	1.0
79.95609	3.3
96.95885	100.0
96.96810	18.4
98.02330	1.2
115.23563	1.1
116.98566	1.2
118.96549	3.1
152.99368	1.1
189.00804	1.5
191.05580	1.4
229.79543	1.1
253.09186	1.7
277.21680	12.2
291.03943	2.9
351.06183	7.3
521.05829	1.1
551.25488	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	611.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
59.01249	50.8
70.86149	1.0
71.01243	4.5
72.99168	1.4
73.02821	1.8
75.00715	0.7
83.01244	0.6
85.02822	1.7
87.00731	1.1
89.02307	3.1
93.03342	1.1
96.95872	1.1
97.02817	0.5
99.04382	1.1
101.02333	4.2
107.01233	0.4
111.26205	0.4
113.02310	1.7
119.03373	0.8
125.02367	0.7
131.03403	0.4
134.05974	1.1
137.02327	1.1
138.05482	0.7
161.04446	0.5
161.89160	0.4
165.01741	0.6
165.12749	1.0
173.04472	1.3
179.05522	1.2
191.05547	2.3
201.13629	0.4
207.04927	0.8
207.13831	2.7
209.11780	5.1
216.54001	0.5
223.06210	0.8
225.14906	5.2
227.03445	0.9
227.12845	30.1
228.04027	0.8
228.13177	1.6
251.12862	1.1
253.13766	0.4
255.02927	1.7
256.03354	1.7
257.03604	1.6
269.13943	7.8
271.02478	1.1
272.02890	1.3
273.03143	0.6
281.13046	0.7
284.03430	1.8
285.03629	1.5
286.04147	2.1
287.14999	100.0
288.15369	6.7
300.02835	2.1
301.03015	1.6
302.03333	1.8
329.15955	1.6
378.03836	0.4
389.18066	0.4
449.20355	1.0
524.20288	0.9
551.23645	0.7
593.23248	0.4
610.38684	1.2
611.15137	6.0
611.25580	6.9
611.36475	0.6
612.26111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81007	0.3
55.30140	0.3
57.03337	0.6
59.01252	12.6
60.01585	0.3
61.98714	1.0
71.01252	3.6
71.58443	0.3
71.60846	0.3
72.99194	1.2
73.02824	3.5
75.00753	0.9
78.95777	5.8
81.03343	0.6
83.01257	4.1
83.04905	0.7
85.02820	3.0
87.00760	2.6
87.04405	0.4
88.98689	0.6
89.02333	0.5
91.05407	0.5
93.03333	2.9
96.05073	0.3
96.95876	2.6
96.96855	0.8
97.06483	0.5
99.00807	0.3
99.04410	0.6
101.02324	2.9
107.04926	1.2
108.02101	0.4
109.02848	1.1
109.06498	0.4
111.00712	0.3
111.04422	0.9
111.10786	0.3
111.97173	0.3
113.02335	1.2
117.47073	0.3
119.04926	0.8
120.23911	0.3
121.02884	0.5
123.00665	0.3
123.04391	0.3
124.17542	0.3
125.02344	1.1
127.03893	0.8
133.02875	0.8
134.03624	3.8
134.06065	0.5
135.04414	100.0
136.04762	4.0
137.02328	1.2
143.03372	0.4
146.03653	0.5
147.04457	0.5
149.05997	0.5
151.03905	0.5
152.99501	0.9
155.10677	0.5
161.02354	1.1
161.04459	0.5
163.03912	0.9
167.03372	0.4
167.10649	1.0
171.00554	1.7
172.05159	0.6
173.04483	5.3
173.05922	0.3
174.04803	0.5
175.03908	0.6
177.01811	1.4
177.05490	0.5
178.02293	0.8
179.03418	77.7
180.03772	3.6
181.04947	0.6
187.03899	0.7
187.07536	2.9
188.04745	0.6
188.08104	0.4
189.04012	0.6
191.05545	13.8
192.05840	0.6
193.05008	0.5
201.05531	0.5
202.06270	0.6
207.05011	1.5
207.13762	0.6
209.11678	1.2
213.09190	0.8
215.07098	1.1
225.14864	0.8
227.10764	0.5
227.12837	5.1
229.08661	1.1
231.06535	1.0
231.10170	1.5
251.12733	0.5
257.08255	0.7
269.14001	3.0
271.02402	0.4
275.09268	3.5
276.09579	0.6
278.08014	0.5
283.10529	0.4
287.14993	6.5
288.15207	0.5
300.02689	0.6
311.14822	0.4
323.07660	0.6
329.16129	0.8
341.08609	1.2
353.08740	2.9
371.16898	0.9
383.09680	1.3
388.72229	0.3
413.17847	0.8
419.11136	0.3
431.19196	8.0
432.19421	0.5
437.14200	0.5
449.14685	2.8
535.18597	1.1
547.11743	0.4
593.21985	1.0
610.29901	0.7
611.22980	19.4
612.23352	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	611.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51790	0.3
57.03318	0.5
59.01251	12.5
61.98704	0.5
67.01743	0.3
69.03358	0.3
69.28732	1.5
69.29149	1.2
71.01249	2.1
72.99175	1.0
73.02820	2.0
75.00729	0.5
78.95770	2.3
83.01256	2.7
83.73488	0.2
85.02816	2.0
87.00755	1.3
87.84039	0.3
89.02313	0.3
93.03328	2.3
95.01200	0.3
96.55988	0.3
96.95901	1.1
96.96862	0.5
97.06445	0.5
98.19802	0.5
99.04383	0.6
101.02312	2.3
107.04890	0.7
108.02036	0.4
109.02821	0.8
111.04394	0.8
113.02339	0.9
119.04912	0.3
125.02325	0.7
127.03905	0.5
133.02806	0.5
133.24106	0.2
134.03644	3.3
135.04413	100.0
136.03938	0.4
136.04761	3.4
137.02333	0.5
139.88570	0.3
152.99518	0.5
158.90411	0.3
159.04485	0.4
161.02345	0.8
161.04536	0.3
163.03841	0.4
167.10683	1.0
171.00497	0.6
173.04448	3.3
177.01913	0.5
177.05550	0.9
178.02510	0.4
179.03407	17.5
180.03801	0.7
191.05537	9.1
194.05884	0.3
207.05051	1.0
207.13879	0.4
209.11783	1.2
225.14920	0.6
227.12842	4.9
228.13124	0.4
233.11702	0.4
239.31664	0.3
251.12686	0.7
260.06866	0.3
269.14005	1.6
279.08731	1.3
283.81708	0.3
287.14975	3.5
297.09830	2.7
329.16083	0.3
339.10886	3.6
341.08548	0.3
353.08890	0.6
370.76956	0.3
371.17148	0.5
383.10004	0.4
413.18436	0.4
419.13123	1.0
431.19125	2.4
431.24356	0.3
437.12772	0.4
449.14401	0.6
506.34070	0.9
507.22552	0.5
507.34344	0.7
549.23401	2.6
567.24469	24.3
568.24768	4.0
610.30103	0.4
611.22412	1.1
611.32025	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	610.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96957	1.1
59.01249	47.6
61.98693	1.7
70.96938	1.6
70.97257	1.4
71.01253	3.2
73.02820	2.1
78.95755	3.0
85.02829	1.8
87.00745	2.3
89.02326	1.4
92.11450	1.1
93.03342	2.6
96.95883	5.1
101.02344	1.3
104.17879	1.2
106.06525	5.8
113.02303	2.0
119.04916	1.4
121.02911	1.3
122.06000	9.6
132.04459	6.3
134.06013	44.7
135.04434	2.7
135.06357	1.9
137.02438	2.0
144.04471	1.9
147.03226	2.2
150.05437	2.7
152.04314	1.3
152.07094	4.2
152.42967	1.2
158.02316	1.6
158.06046	2.5
160.03989	3.6
162.05515	3.7
163.03845	1.3
166.05037	1.2
169.12180	4.2
172.03911	1.8
173.04466	4.8
174.05521	1.4
176.03447	3.0
179.03423	2.5
190.05013	12.2
191.05550	11.6
194.08192	2.9
198.28290	1.1
202.05013	1.6
204.06558	2.1
207.05070	2.1
216.06635	1.5
223.08646	1.9
224.09479	3.6
235.08720	3.4
236.09288	1.8
239.11807	9.2
240.10245	2.3
241.09921	2.2
241.68040	1.3
249.10297	4.8
250.11194	2.8
251.11914	5.2
253.06184	3.5
253.09723	2.8
263.08411	3.3
265.10010	1.4
265.13422	1.9
266.07269	1.3
267.07913	2.5
267.11090	1.7
268.08527	3.3
277.09805	5.7
278.10498	2.7
279.08011	2.2
279.11435	5.6
280.08511	3.2
281.09180	2.4
282.09888	2.0
283.10864	34.6
284.11285	2.8
293.09296	2.6
294.10150	2.3
295.10928	13.0
296.11209	2.2
301.03119	1.7
305.09314	3.1
306.10046	2.8
307.10999	2.6
309.09064	1.7
309.12167	5.4
309.97055	1.5
323.10272	4.2
337.11957	4.9
338.12558	1.5
380.73550	1.2
397.14059	2.1
402.18176	4.0
419.11273	1.3
430.17670	25.9
431.18201	3.2
444.33551	1.2
446.40518	1.2
448.18851	1.9
448.63327	1.3
462.20218	7.5
474.16592	3.5
490.12604	2.3
490.19794	42.1
491.20169	6.0
506.19153	5.5
522.22400	7.0
534.18781	100.0
535.19177	13.9
566.21356	51.4
567.21906	8.5
609.40686	2.9
610.29535	2.5
611.25421	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	610.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	38.8
69.42451	6.9
71.01240	2.9
73.02815	2.2
78.95780	22.7
81.03347	1.1
85.02819	2.2
87.00754	1.7
88.99646	0.8
89.02303	1.1
92.02309	0.8
93.03344	4.6
96.95892	2.0
96.96789	0.8
101.02306	1.0
106.06484	4.0
108.04462	1.2
113.02322	1.3
113.82111	0.9
119.04902	1.4
122.06020	7.0
125.02349	0.9
132.04431	3.8
134.06003	29.4
135.04391	5.6
135.06372	1.2
137.02316	2.4
138.05472	1.0
144.04449	2.1
150.05537	2.0
151.00304	1.1
152.07053	3.7
152.99420	2.6
158.02455	1.7
158.05869	0.9
160.03932	2.6
161.02272	1.5
161.04654	1.1
162.05490	2.2
171.00586	6.7
172.03801	1.6
173.04485	8.4
174.05496	1.5
176.03461	2.2
178.08598	1.5
178.99762	1.1
179.03391	4.4
180.06389	1.1
183.39188	0.9
187.07561	1.6
190.04976	3.8
191.05534	10.6
193.01442	0.9
194.08133	2.2
207.05011	2.5
215.07057	1.0
215.11818	1.0
223.08676	2.4
224.09441	2.7
231.10101	1.4
233.84830	0.8
235.08766	2.7
236.09355	1.2
237.10239	2.2
239.08266	1.5
239.11864	9.1
241.09705	2.1
249.06454	1.1
249.10338	3.2
250.07211	1.1
250.11084	2.8
251.11856	4.0
253.06062	3.2
253.09853	1.9
255.07411	0.9
255.11349	1.2
263.08298	2.8
265.09818	1.4
265.13239	1.3
266.06766	1.1
267.07654	2.2
267.11374	1.3
268.08643	4.1
275.09424	1.4
277.09836	5.0
279.08008	1.4
279.11401	4.1
280.08694	1.8
281.09222	2.9
282.09894	1.2
283.10880	31.2
284.11105	2.6
287.40952	0.9
294.10120	2.8
295.10822	10.6
296.11475	2.1
300.02707	1.0
301.03152	1.4
305.09491	1.1
306.09955	3.1
306.71573	1.0
307.10880	4.0
309.08871	1.0
309.12363	2.7
313.10767	1.1
323.10040	1.0
337.11911	1.2
339.13574	2.1
353.08688	1.5
358.19366	1.0
386.18832	2.1
387.16946	1.1
397.14001	1.5
402.18259	2.5
428.15640	1.2
430.13199	0.9
430.17700	26.0
431.17999	2.9
448.18604	2.5
449.14304	1.5
456.15637	1.2
462.19977	1.4
474.16812	2.4
490.19803	34.9
491.20273	3.7
492.17758	1.6
506.19711	1.9
516.17749	1.1
534.18787	100.0
535.19116	15.0
566.21344	13.0
567.21808	2.4
609.40546	9.5
610.14630	1.2
610.29724	15.4
610.40680	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	610.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.9
59.01252	57.8
60.01574	1.7
61.98708	6.3
67.01786	1.9
69.03336	1.5
71.01257	13.4
71.58625	1.8
72.99180	4.5
73.02815	5.1
75.00754	3.0
78.95777	62.0
81.03303	1.4
82.14109	1.3
83.01274	6.5
85.02808	8.9
87.00743	6.5
88.98711	2.0
89.02324	4.4
93.03335	9.5
95.01319	1.2
96.95895	6.9
96.96853	5.8
97.06460	2.2
99.00740	1.7
101.02327	10.2
106.06453	2.2
107.04889	2.7
108.04433	1.2
109.02846	3.5
111.04420	2.5
113.02296	6.1
117.03391	1.6
119.04902	1.9
121.02797	1.9
122.06000	4.2
125.02316	1.5
133.02841	3.4
134.03654	3.2
134.06017	14.3
135.04414	100.0
136.04744	4.6
137.02338	3.0
152.07115	2.4
152.99484	12.6
155.03424	3.0
159.04378	1.5
161.02406	2.9
161.04489	2.4
163.03949	2.8
171.00566	12.7
173.04483	18.4
173.05855	1.4
175.04033	1.4
177.01854	14.9
178.02246	5.9
179.03421	62.6
180.03786	3.7
187.03915	1.6
187.07582	6.8
191.05539	32.9
192.05840	1.6
193.04947	2.0
197.04611	2.4
197.26157	1.2
201.05545	2.0
207.05118	3.8
209.11969	1.6
211.13385	5.2
212.13716	2.1
215.07132	2.3
227.12849	5.2
227.74690	1.3
229.08740	1.6
231.06621	4.0
231.10220	4.0
239.11844	4.9
243.02892	1.5
255.02812	2.4
268.09537	2.3
271.02579	2.9
272.02872	2.9
275.09421	6.3
278.07950	1.5
283.10818	16.5
284.11194	2.0
287.14801	4.5
295.10938	6.8
300.02686	3.8
301.03137	5.6
302.03629	1.7
309.12350	1.9
328.11639	1.9
353.08817	4.3
353.53729	1.4
361.29453	2.6
383.10019	1.9
397.13528	2.4
398.13641	1.6
405.11792	1.3
430.17581	7.5
431.19199	7.6
449.14539	5.3
465.00543	1.4
475.51764	1.4
490.19815	11.3
491.20026	2.0
505.33609	8.4
506.34088	7.5
523.34454	3.1
524.35144	2.5
534.18787	45.6
535.19568	6.6
548.22351	2.1
566.21246	8.6
567.21191	1.6
592.79620	1.5
610.14642	4.2
610.30194	31.6
611.22650	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	609.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89808	0.6
53.72484	0.7
57.03331	1.8
59.01249	100.0
60.01596	0.9
61.98693	1.6
69.03333	1.3
69.24820	3.7
69.25246	3.8
71.01251	12.7
72.99200	1.2
73.02818	3.3
78.95779	1.2
78.98476	1.1
79.95600	5.2
80.96388	14.2
80.96835	0.8
81.03374	0.7
83.01286	2.5
85.02811	8.2
87.00736	7.1
89.02320	1.0
93.03327	7.4
94.97952	3.2
95.01280	2.8
96.95877	1.7
97.02830	1.7
99.00766	1.5
101.01734	1.2
101.02317	5.8
111.04385	1.6
111.35081	0.6
113.02339	6.4
114.02673	0.7
122.06017	0.8
122.97449	0.7
125.02362	2.4
127.03882	0.7
133.02835	0.9
134.06030	1.9
134.97528	1.2
135.04439	2.2
137.06076	0.7
143.03430	3.0
148.99036	1.1
151.00349	0.7
152.98581	2.3
161.04507	1.7
164.98596	2.0
171.10196	1.2
173.04472	11.6
173.05804	1.0
177.01871	1.1
179.03381	0.8
187.07616	1.3
191.05553	13.8
191.07118	1.1
200.04774	0.8
201.05608	0.8
206.99643	1.0
207.04999	0.7
211.13501	1.3
214.06389	1.8
215.07062	0.8
225.00682	4.2
229.08798	1.6
255.03033	1.0
271.02533	2.5
272.03079	0.7
274.08475	1.4
299.02014	1.1
299.26025	1.5
300.02789	2.8
301.03210	1.1
311.12946	0.9
345.30145	6.0
382.14825	0.7
403.17853	2.2
489.34302	41.5
490.34445	3.8
505.33954	1.2
507.35306	13.8
508.36005	2.1
549.36499	3.2
565.18152	3.3
566.18726	1.1
609.15332	1.1
609.25739	20.2
610.26215	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	609.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59357	0.6
57.03321	2.3
58.64640	0.6
59.01250	100.0
60.01586	1.0
60.99176	1.1
61.29067	0.6
61.98703	3.4
67.01761	3.1
69.03349	1.9
71.01249	10.3
71.58320	0.6
72.99185	2.0
73.02830	2.8
78.95798	1.5
79.95613	1.7
80.96398	5.3
81.03345	1.4
83.01274	2.0
83.04915	1.6
85.02826	9.7
86.28545	0.5
87.00758	6.9
89.02330	2.2
90.53954	0.6
93.03333	18.1
94.97960	0.6
95.01276	1.0
96.95895	2.2
97.02851	1.0
99.00780	2.4
99.04382	0.7
101.02322	5.8
107.01190	0.7
108.02022	0.9
108.37312	0.7
109.02859	2.2
111.00789	1.1
111.04382	2.9
112.01530	0.6
113.02331	5.6
119.04965	0.8
121.02861	0.9
123.04412	1.1
125.02338	0.8
127.03909	0.7
133.02887	0.9
134.03699	1.2
134.06009	0.6
135.04419	13.0
136.04784	0.7
137.02402	2.0
137.06003	0.7
137.09569	0.6
143.03432	1.6
148.99078	0.8
151.00270	0.8
151.03960	0.6
155.03467	1.1
159.04518	0.7
161.02397	1.0
161.04495	1.4
163.03947	0.9
171.13777	0.6
172.05270	0.6
173.04465	17.8
173.05968	0.9
174.04805	1.1
177.01883	1.9
179.03415	9.1
180.03813	1.0
181.04932	0.7
182.03664	0.7
186.06735	0.7
187.07574	1.4
189.05589	0.7
191.05536	35.1
192.05922	1.9
201.05449	1.0
207.05092	1.2
209.11798	1.4
211.07509	0.8
211.13379	0.8
214.06416	1.4
215.07085	0.9
220.20227	0.6
229.08647	0.8
233.06657	1.0
243.03006	1.1
243.12456	1.0
255.03110	1.8
267.07211	1.0
271.02576	2.6
272.02905	0.8
283.13434	0.6
299.02097	1.7
299.26035	1.8
300.02661	5.9
301.03394	2.0
311.12982	0.9
345.30069	5.7
346.30615	0.6
353.08640	2.9
359.18726	0.9
371.15308	0.8
375.27408	1.0
383.50970	0.7
401.60748	0.6
403.17676	1.5
431.83313	0.6
459.33176	0.9
489.34354	35.6
490.34488	4.9
505.33591	4.7
507.35294	6.0
508.35739	0.9
523.34998	1.2
549.36719	1.5
577.22876	1.9
609.14722	2.5
609.26270	11.1
610.15649	1.3
610.26660	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36431	1.2
53.60178	0.9
55.01766	2.0
56.03006	0.8
57.03322	6.6
59.01251	95.8
60.01585	1.7
61.98709	3.3
67.01766	1.2
69.03344	2.8
71.01254	30.2
71.57982	1.7
72.99189	4.2
73.02831	10.6
75.00758	1.8
78.95776	30.1
79.95638	1.3
80.11028	1.0
80.96410	3.9
81.03326	2.1
83.01255	9.5
83.04929	1.6
85.02827	19.0
87.00756	9.4
87.04381	2.2
88.98636	1.4
89.02333	4.4
93.03334	12.3
95.01255	4.8
96.95912	4.6
96.96842	3.3
97.02821	3.2
99.00777	4.1
101.02328	15.5
108.02055	21.9
109.02840	15.0
111.00779	5.0
111.04407	4.4
113.02317	11.4
114.02657	1.4
115.07624	0.9
119.03380	1.5
119.04924	2.5
121.02873	2.0
122.06043	1.4
123.00784	1.1
123.04416	1.1
123.08040	2.2
124.01566	1.6
125.02356	4.2
127.03890	1.4
129.01874	1.5
133.02849	2.3
134.03609	1.0
134.06053	2.3
135.04437	10.9
135.08131	1.0
137.02379	3.1
139.00258	2.7
141.12744	2.1
143.03416	2.7
143.63947	1.0
145.02950	1.0
147.04466	1.3
148.01593	1.0
149.02353	1.3
150.02946	1.0
150.05499	1.5
151.00377	1.3
152.01067	20.5
152.99513	3.9
153.01855	8.0
155.03337	1.4
156.00577	1.9
156.10129	1.5
157.01376	2.2
158.03622	2.0
158.11745	1.5
159.02878	1.5
161.02357	1.6
161.04489	3.4
161.05821	1.1
163.03903	3.4
164.04715	1.4
165.05504	1.4
169.12393	1.1
171.00607	6.7
171.10208	1.1
171.13850	2.7
173.04495	14.3
173.05902	1.5
175.03894	1.6
177.01849	2.9
178.99760	1.1
179.03404	6.7
181.04996	1.2
186.06750	1.5
187.03992	1.9
187.07622	1.8
187.13394	1.4
189.05586	1.2
191.03828	1.3
191.05539	35.7
192.05896	1.8
193.05006	2.1
201.05605	1.2
201.14954	2.9
207.05002	4.2
207.06729	2.1
207.23564	1.0
209.11748	2.9
211.07668	1.9
211.13297	2.5
214.06299	2.2
215.07066	1.9
227.12759	1.4
229.08620	1.3
234.05299	2.2
243.03091	1.9
255.03053	3.1
271.02475	5.9
285.04025	1.5
289.07040	1.6
295.06155	1.3
300.02670	12.4
301.03314	3.1
307.08197	7.4
315.07355	3.1
315.25397	1.3
359.18661	1.1
359.28027	4.1
361.29602	14.3
397.13327	1.1
400.42783	1.0
403.17676	2.8
424.63684	2.2
449.14459	1.1
457.32117	1.3
476.08936	1.1
503.09604	1.1
505.33829	100.0
506.34097	12.4
523.34955	23.7
524.35059	2.9
565.36102	5.3
566.21198	6.3
609.14697	5.1
609.26483	4.7
610.15137	1.3
610.25372	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	609.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.4
59.01248	6.4
61.98691	1.3
63.96104	1.1
67.01739	0.6
69.03337	0.7
71.01252	8.5
71.04832	0.4
71.13338	0.7
73.02814	2.9
73.83175	0.4
78.95773	0.6
78.98460	6.2
79.95609	11.1
80.96390	69.6
81.03334	0.8
81.96276	0.4
83.01259	0.6
85.02818	4.1
87.00757	3.2
92.32260	0.4
93.03326	2.6
94.97960	17.5
95.01275	0.4
96.95893	1.6
97.02831	1.5
99.00764	0.9
101.02328	3.5
106.97974	3.6
109.02895	0.4
111.04440	0.5
113.02323	0.8
118.42687	0.4
122.97467	5.8
125.02337	3.5
127.03896	1.2
133.02814	0.7
134.97464	4.8
135.04414	0.9
136.99025	1.0
148.99042	5.9
152.98524	7.2
152.99654	0.5
164.98540	11.8
167.00098	0.6
173.04485	3.0
177.01770	0.5
179.03386	0.5
182.99590	2.5
191.05559	3.2
197.11783	1.4
206.99663	2.8
211.13295	1.1
225.00706	18.3
226.01045	0.5
243.01820	1.9
299.04532	3.5
300.02570	1.0
301.03424	0.4
309.20657	0.7
310.21057	0.4
317.05508	0.6
327.95660	0.4
374.90781	0.3
489.34451	0.6
535.28540	1.0
536.29846	0.7
603.37024	0.4
609.25830	100.0
610.26245	16.2
610.34015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89463	0.5
57.03315	0.8
58.13292	0.6
59.01252	3.0
61.98697	1.7
63.96106	1.2
69.03333	1.3
69.49809	4.7
71.01256	8.5
73.02797	2.0
76.91857	0.5
78.95789	4.1
78.98456	6.1
79.95609	15.8
80.96391	74.5
81.03348	1.2
85.02826	3.2
87.00745	3.5
92.34913	0.6
93.03339	1.0
93.85550	0.5
94.52299	0.6
94.97958	17.0
96.95895	1.8
96.96835	0.7
97.02834	1.6
99.00768	0.7
101.02301	3.2
106.97982	3.3
109.02830	0.7
113.02348	0.6
113.09554	0.7
119.89015	0.6
121.67069	0.5
122.97467	5.3
125.02327	3.6
125.09500	0.5
127.03864	1.2
134.97501	4.6
136.99062	1.6
139.11165	1.0
148.99055	6.3
152.98514	8.5
152.99525	3.0
161.85094	0.5
164.98532	10.8
164.99808	0.9
173.04469	1.1
173.39542	0.5
178.64774	0.5
182.99622	2.3
191.05547	2.5
206.99608	3.3
207.10149	0.8
209.11736	1.5
211.13358	0.9
225.00703	19.4
225.11333	1.8
241.01309	1.1
243.01791	2.3
271.02466	1.3
291.19754	0.7
293.21201	3.0
299.04370	2.5
300.02621	1.1
327.21793	1.1
397.13586	0.7
523.18396	2.6
609.25848	100.0
610.26233	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	609.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47482	0.4
59.01247	4.4
61.98699	1.3
63.96104	1.2
67.01769	0.7
69.03319	0.8
69.46338	0.4
71.01254	8.6
71.44949	0.9
72.99152	0.6
73.02827	2.6
78.95763	0.7
78.98458	5.6
79.95607	10.8
80.96391	65.7
81.03326	0.9
83.01270	0.6
83.04864	0.4
84.92661	0.4
85.02816	3.8
87.00761	3.4
90.72588	0.4
93.03322	4.7
94.97961	15.3
95.01288	0.8
96.95876	1.5
97.02832	1.9
101.02302	4.2
101.22667	0.4
105.03312	0.4
106.97974	3.3
111.04436	0.7
122.97470	5.1
125.02342	3.5
127.03905	1.2
133.02800	0.4
134.97507	3.7
136.99020	1.9
148.99043	5.5
152.98509	7.5
152.99648	0.5
164.98538	11.1
165.98894	0.6
168.29758	0.4
173.04477	3.6
177.01825	1.5
182.99609	2.1
187.07440	0.5
188.98485	0.7
191.05540	4.7
197.11806	1.0
206.99637	3.4
211.13264	0.8
225.00682	18.9
243.01788	1.7
271.02139	0.5
299.04419	3.2
300.02689	1.1
307.59665	0.5
403.18051	0.6
489.33850	0.7
555.73224	0.5
577.22437	0.6
609.25830	100.0
610.26202	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	609.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.7
59.01247	3.8
61.98692	1.7
63.96105	1.2
68.18965	0.5
69.03329	1.0
69.24980	5.2
69.97224	0.4
71.00848	0.5
71.01247	8.7
73.02815	2.3
75.13184	0.5
78.98461	7.2
79.95602	13.7
80.96390	80.8
81.03329	1.0
85.02812	3.4
87.00755	3.8
92.64298	0.5
93.03342	1.3
94.97958	19.9
95.01266	0.8
96.95885	1.8
97.02821	1.9
99.00750	0.7
99.04404	0.6
101.02325	3.9
106.97979	3.2
109.30220	0.5
113.02339	1.1
122.97459	7.0
125.02326	3.8
127.03876	0.8
134.97498	4.8
135.04463	0.5
136.99043	1.0
148.99052	6.9
152.98514	8.0
152.99564	0.5
154.51544	0.4
164.98541	13.5
165.98988	0.5
167.00174	0.7
169.12334	0.5
173.04460	2.0
178.99716	0.4
182.99579	3.0
191.05571	1.5
197.11742	2.2
206.99583	4.0
208.44344	0.5
209.03152	0.5
211.13458	0.7
225.00694	22.7
226.00879	0.7
243.01784	2.4
299.04327	3.7
300.02621	0.7
311.07669	0.5
609.25830	100.0
610.26105	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	609.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12920	0.6
57.03328	0.9
59.01250	100.0
60.01595	0.8
66.81291	0.6
71.01257	4.8
71.57235	0.7
73.02820	1.8
73.28701	0.7
78.95796	1.0
81.26429	0.6
83.01263	0.7
83.04916	0.8
85.02839	2.9
87.00763	1.3
89.02329	1.9
93.03332	3.3
96.95924	2.7
101.02341	2.5
103.82742	0.7
107.01295	0.8
111.00744	0.7
113.02365	2.6
118.72813	0.6
119.04897	0.9
121.02847	1.1
132.02077	0.9
133.02896	0.8
134.03636	1.9
135.00853	0.7
135.04419	1.8
137.02399	1.9
149.02348	1.3
150.03119	4.5
151.00258	3.4
160.01570	5.0
161.02391	0.8
161.04498	2.0
162.03177	2.5
165.05533	4.0
167.19934	0.7
172.93317	0.8
173.04504	1.7
175.03926	7.1
176.04323	0.6
177.05511	1.5
178.99878	0.8
179.03384	1.6
191.05539	4.9
193.05064	0.9
193.89441	0.7
194.05865	1.1
195.06570	2.2
199.04158	0.6
207.05022	0.9
209.08244	1.5
209.11855	1.9
211.07748	0.9
219.03061	1.7
227.03485	1.5
243.03017	2.0
255.02974	5.9
268.07471	0.9
271.02496	7.2
272.03101	1.2
283.02649	1.2
284.03360	1.7
285.04156	3.5
299.01923	1.4
300.02722	13.1
301.03461	5.6
309.07880	1.0
312.06253	0.7
323.09283	1.1
327.08817	2.5
327.12512	0.7
339.08633	3.6
341.10388	1.6
342.11304	3.2
354.11081	1.6
357.13397	10.9
358.13861	1.3
369.13461	9.7
370.13861	1.1
413.14539	7.6
435.10733	1.0
447.09396	1.8
476.28656	0.8
609.14600	13.4
610.15637	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	609.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
55.64928	0.5
57.03333	1.1
59.01250	100.0
60.01582	0.7
61.98725	0.7
65.00214	0.7
69.81417	3.4
71.01250	6.4
72.99181	1.1
73.02819	1.8
73.94729	0.5
75.00758	0.8
78.95776	1.3
79.75863	0.6
83.01231	1.4
85.02802	2.9
87.00763	1.5
89.02319	2.7
93.03339	4.3
95.01262	0.8
96.95876	3.4
101.02325	3.8
107.01272	0.8
113.02335	3.6
119.03437	0.9
119.04900	1.7
121.02839	2.0
123.04406	1.3
125.02312	0.8
132.02100	1.0
133.02861	1.0
134.03593	1.7
135.04413	1.6
137.02350	3.0
147.04427	1.0
149.02357	1.8
149.04411	0.7
150.03116	5.4
151.00253	2.7
151.03877	0.7
160.01563	6.0
161.02315	1.2
161.04465	2.0
162.03149	2.2
163.03842	0.9
165.05492	5.3
173.04468	2.1
175.03943	8.1
176.04388	0.6
177.05493	1.9
178.99739	1.5
179.03377	1.9
185.06052	0.6
187.03871	0.7
191.05539	5.7
193.04836	1.4
194.05629	0.8
195.06534	2.5
209.08063	1.5
209.11772	2.3
210.12085	0.8
211.07550	1.1
219.02922	1.5
224.08847	0.6
226.02827	0.8
227.03407	2.1
243.02936	2.1
255.02965	7.5
256.03506	0.7
256.65250	0.6
268.07465	0.8
271.02432	8.8
272.02838	1.1
283.02585	1.3
283.09827	1.2
284.03278	3.5
285.03958	4.1
299.01926	2.1
299.09241	0.7
300.02713	12.7
301.03448	5.7
302.04037	0.8
312.06528	1.2
323.09134	1.2
324.06238	0.7
324.10001	1.0
327.08737	2.8
339.08694	4.5
339.12350	1.1
341.10217	2.2
342.11029	2.7
344.18164	0.6
354.11066	2.0
355.11691	0.7
357.13412	14.8
358.13821	1.4
360.80045	0.6
369.09198	1.0
369.13461	13.4
370.13528	1.2
413.14505	11.0
414.14676	1.3
415.98840	0.6
417.14758	0.6
435.10544	1.2
436.12079	0.7
447.09103	2.2
493.14758	0.9
521.48792	0.7
528.68494	0.7
549.25232	1.3
608.38269	0.9
609.14612	21.8
609.29816	0.8
610.14923	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	609.1466
Annotation	Herbacetin 8-rutinoside
Peak:m/z	Relative Intensity
57.03300	0.9
58.00443	0.5
59.01250	18.1
60.97588	0.5
61.98710	1.1
63.02271	0.6
65.00191	1.4
67.01733	0.6
68.21705	0.5
69.03312	0.5
69.13714	0.5
71.01252	7.3
71.04876	0.5
71.58376	0.7
72.99171	1.3
73.02809	2.3
78.95770	7.1
79.95634	0.7
81.03223	0.4
83.01244	1.9
83.04892	0.6
85.02818	4.1
87.00745	2.5
87.55447	0.5
88.03914	0.6
89.02299	2.9
93.03331	3.6
96.95862	2.7
96.96828	0.6
99.00731	1.0
101.02309	4.6
104.62556	0.5
105.03339	0.7
107.01274	3.0
107.04852	0.5
107.74006	0.5
108.02053	1.5
109.02837	2.3
111.04404	1.4
113.02330	2.9
113.49622	0.4
116.00751	0.5
119.03383	1.2
119.04900	3.7
121.02828	2.8
123.04425	0.6
124.01550	0.6
125.02334	1.1
127.03827	0.7
131.03416	0.7
131.07077	0.6
132.83075	0.4
133.02820	1.8
134.03607	0.8
135.00790	0.6
135.04434	7.3
137.02327	1.7
143.03407	0.6
148.01610	1.1
149.05971	0.7
151.00281	10.0
152.99480	1.2
153.01903	0.7
159.02931	0.4
159.04396	0.5
160.09721	0.7
161.02391	0.9
161.04514	1.1
163.00256	2.0
163.03859	2.8
164.01056	0.8
166.56242	0.5
171.00575	1.7
173.04463	4.9
173.05862	0.7
174.03146	1.0
175.03906	0.6
177.00259	0.9
177.01840	17.4
178.02219	0.9
178.99803	5.7
179.03436	3.4
179.05562	0.7
180.06512	1.3
181.04939	1.7
183.13750	0.7
184.83191	0.5
187.03891	0.6
187.07599	0.6
191.05536	10.9
197.04350	0.7
199.03911	1.6
203.03348	0.6
207.05022	1.5
209.11864	0.7
211.03926	0.7
211.11446	0.6
211.13350	6.0
215.03374	0.6
226.02652	1.5
227.03432	3.4
228.04025	0.5
243.02959	11.1
244.03384	0.9
245.04382	0.6
254.02208	2.3
255.00195	0.8
255.02950	26.9
256.03360	2.1
271.02466	57.1
272.02866	6.2
273.03873	1.2
283.02542	1.0
284.02982	0.6
299.01947	3.9
300.02722	100.0
301.03406	30.5
301.08450	0.6
302.03827	1.9
313.95258	0.5
343.04480	0.9
359.18805	0.5
361.29611	1.4
373.25876	1.0
376.85864	0.6
397.13660	2.7
409.78989	0.5
415.14685	1.0
446.21942	0.8
447.22168	0.6
463.08847	4.4
464.09067	0.9
503.64896	1.3
504.32938	0.9
505.33780	6.6
523.34753	1.4
593.23840	0.9
608.30591	0.7
608.40112	6.1
609.14551	89.2
609.24945	3.4
609.39874	2.4
610.14899	11.8
610.30334	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02259	0.7
63.94388	0.6
70.03793	3.1
84.55614	0.6
98.20461	1.0
107.01256	1.0
108.02061	1.6
122.44603	0.7
132.38303	0.6
148.01559	1.3
151.00253	4.5
163.00298	1.3
164.01001	1.3
169.01439	0.8
178.99800	2.5
183.04459	0.8
199.03874	1.1
199.13596	0.7
211.03958	1.8
215.03357	0.7
216.04150	0.7
223.67291	0.8
226.02711	1.3
227.03455	15.5
228.03900	0.8
229.04991	1.3
243.02966	10.3
244.03365	0.8
254.02272	2.1
255.02959	47.0
256.03448	4.1
257.04572	0.7
271.02478	54.0
272.03046	4.5
283.02414	0.8
284.03250	32.2
285.03986	15.4
292.83105	0.7
299.01996	2.9
300.02747	100.0
301.03241	11.5
308.13336	0.7
320.44321	0.8
342.59961	0.7
352.27145	0.7
429.08298	1.0
432.61942	0.7
463.97095	0.7
521.50183	0.7
541.81140	0.7
609.14594	60.8
610.14954	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.5
62.89303	0.2
63.02262	0.4
65.00194	1.3
66.65420	0.2
69.43962	1.5
71.01244	0.4
83.01256	1.2
84.90357	0.2
89.02328	0.2
91.01762	0.3
92.12722	0.2
93.03318	0.2
101.02338	0.3
107.01266	2.9
108.02058	1.7
109.02832	1.2
119.01212	0.2
121.02847	1.4
124.01540	0.3
125.02299	0.5
135.00728	0.8
148.01538	1.5
149.02321	0.4
151.00269	10.3
152.00877	0.3
153.01788	0.2
155.04797	0.2
159.04420	0.4
163.00270	2.1
164.01021	0.6
169.01324	0.7
174.03104	0.2
175.03961	0.3
178.99779	5.3
183.04480	0.3
187.03931	0.4
190.02489	0.2
190.99744	0.3
191.03360	0.2
192.00491	0.3
193.01306	0.4
198.03125	0.5
199.03868	0.8
201.05498	0.3
203.03410	0.4
209.11833	1.1
210.12108	0.7
211.03865	0.9
211.12514	0.2
215.03487	0.8
216.04245	0.5
226.02679	2.1
227.03429	3.7
228.03960	0.3
229.04951	0.5
231.03065	0.2
243.02954	12.5
244.03491	0.7
245.04430	0.9
254.02205	2.5
255.02956	30.7
256.03378	2.3
262.71741	0.2
271.02463	65.1
272.02914	6.0
273.03918	0.9
283.02454	0.7
284.03165	0.3
285.04037	0.3
299.02054	2.2
300.02725	100.0
301.03418	28.7
302.03790	1.6
343.04544	0.8
609.14575	80.4
610.14905	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	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	16.5
65.00204	1.7
66.56106	0.4
68.99672	0.6
69.78383	0.8
69.78802	2.1
71.01259	1.8
72.99188	0.5
78.46824	0.4
81.87451	0.5
83.01281	0.5
85.02824	0.6
89.02328	0.7
93.03337	3.1
95.01236	1.0
96.95894	1.4
97.02837	0.6
98.20526	0.7
99.00762	0.8
101.02304	1.0
107.01273	1.8
108.02081	1.1
109.02843	0.9
109.99992	3.2
111.00768	2.0
113.02364	0.6
117.03372	1.1
119.04909	0.8
121.02878	1.3
123.00800	2.2
124.01528	1.1
125.02347	1.3
132.02060	1.1
133.02768	0.6
135.04366	0.5
136.98691	0.9
137.02373	3.5
137.99529	1.3
139.00273	3.7
143.04886	0.8
147.04439	0.5
149.02351	0.8
151.00258	6.1
152.01067	2.7
153.01817	1.1
157.54335	0.6
159.04362	0.7
163.00327	1.8
164.32736	0.5
164.98293	0.5
165.01794	0.6
165.05426	0.8
165.98956	5.2
166.99751	3.1
167.04939	0.6
169.01372	0.7
171.04434	1.3
173.05908	0.7
175.03900	0.8
178.99770	4.7
179.03299	0.5
183.04416	1.5
184.04982	0.4
185.05992	1.3
187.03868	1.6
191.05559	1.7
193.98439	0.6
198.03217	1.0
199.03911	2.6
200.04681	1.0
201.05499	1.1
203.03496	0.6
206.99339	0.6
209.00848	1.4
211.03918	2.4
213.05505	0.7
215.03421	1.3
219.03076	0.5
226.02612	2.3
227.03453	7.6
228.04097	1.6
229.05016	1.7
231.02838	0.5
239.03430	1.3
240.04091	0.5
241.79794	0.5
243.02977	11.6
244.03516	2.5
245.04483	0.8
254.02206	3.2
255.02962	32.2
256.03537	2.9
257.04471	2.7
271.02460	38.6
272.03104	9.9
273.03876	2.0
282.01785	1.1
283.02457	12.5
284.03143	2.8
285.04132	2.4
285.06763	0.5
287.05014	0.4
299.01865	3.3
300.02725	67.8
301.03433	26.4
302.03812	1.7
327.08685	0.6
339.08777	0.9
357.13519	2.1
361.16528	2.3
369.13382	1.7
441.85977	0.5
447.09204	1.4
447.17426	0.7
489.12189	1.0
499.11368	0.9
565.28534	0.5
591.13361	2.0
592.13361	0.7
608.37280	0.5
609.14545	100.0
610.14844	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	609.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51041	0.4
57.03314	0.6
59.01250	7.7
63.02277	0.7
65.00207	1.3
67.07687	0.3
69.33802	3.8
71.01249	2.2
72.90363	0.4
72.99187	0.6
73.02833	0.7
78.95788	1.9
83.01273	1.0
85.02844	1.7
87.00767	1.2
89.02328	0.9
93.03348	1.5
95.01262	0.6
96.95891	1.7
97.06510	0.6
101.02351	1.5
107.01279	2.8
108.02085	1.7
109.02874	1.3
111.04436	0.5
113.02340	1.1
117.03374	0.4
119.04954	2.1
121.02811	2.2
122.03223	0.4
124.01542	0.5
125.02362	0.8
134.03622	0.6
135.00752	0.8
135.04422	1.7
137.02330	0.8
143.03372	0.4
145.02814	2.0
148.01617	0.9
149.02391	0.6
151.00267	10.4
152.00955	0.4
153.01801	0.7
155.03426	0.5
159.04381	0.6
161.04575	0.4
163.00287	2.3
163.03926	1.3
164.01024	0.8
164.04643	2.5
169.01349	0.9
173.04512	1.3
176.21597	0.4
177.01897	0.7
178.99789	5.5
179.03430	1.5
179.07068	0.7
183.06645	0.4
187.03807	0.6
190.02591	0.4
190.99820	0.8
191.05530	2.8
192.00659	0.4
198.03204	0.6
199.03952	0.9
201.01767	0.6
203.03506	1.0
206.12584	0.4
206.32544	0.4
211.03951	1.0
211.13286	1.2
215.03319	0.6
226.02602	1.5
227.03484	3.1
229.05086	0.8
243.02933	10.4
244.03471	1.1
245.04494	0.7
254.02098	2.3
255.02960	26.3
256.03314	2.5
271.02472	58.2
272.02972	5.6
273.04050	1.3
283.02542	0.8
299.01913	2.5
300.02725	100.0
301.03445	38.5
301.08490	0.6
302.03644	2.8
343.04459	0.6
361.29761	0.6
397.13358	0.5
429.11621	0.5
463.08792	46.6
464.09198	5.5
505.33975	5.4
523.34509	1.9
565.36047	0.5
580.07629	0.4
608.39899	1.5
609.12799	48.5
609.24469	1.5
610.13147	8.0
610.29523	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	608.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98599	0.6
59.01251	36.6
61.98700	0.7
70.98010	0.8
70.98331	1.2
71.01246	2.9
71.04854	0.7
72.99180	0.6
73.02811	1.8
75.00754	0.8
78.95768	1.2
80.04920	5.3
85.02827	1.4
85.33358	0.6
87.00745	1.0
87.04414	1.0
88.03943	0.9
89.02324	1.5
93.03341	1.8
94.06519	1.0
95.21352	0.6
96.95886	4.5
99.02294	0.6
99.04379	0.6
99.05003	0.6
101.02335	1.9
106.06508	9.8
107.06803	0.6
108.04439	10.8
108.08095	3.4
109.02840	1.0
113.02328	1.1
116.92705	0.8
118.06523	2.0
121.05242	2.1
122.05998	5.3
131.07057	1.5
132.04445	4.3
132.08084	0.6
134.06017	33.6
134.09657	1.4
135.04443	8.7
135.06372	1.2
136.06544	0.8
136.07582	13.3
137.02374	0.8
144.04442	0.6
146.06044	4.7
148.07600	3.8
149.06071	0.8
151.00327	1.8
152.07077	11.8
158.06038	1.0
160.07602	4.0
162.05545	4.8
162.09161	17.9
163.09540	0.6
173.04517	2.0
178.99843	1.5
179.03423	2.9
180.03922	1.1
180.06580	27.5
181.06950	1.1
183.09148	0.7
188.07104	3.6
190.08635	0.8
191.03929	0.6
191.05576	3.4
194.08270	0.7
196.06274	1.0
199.12285	0.9
206.08179	1.9
209.11815	1.1
211.08777	4.2
211.13403	0.7
213.10204	1.2
223.08727	1.1
225.10309	5.6
227.03511	0.6
227.11884	2.8
234.07687	0.8
236.09447	1.0
237.10277	2.1
238.11140	3.0
239.08272	1.5
239.11800	2.7
241.09854	3.0
241.13454	1.7
251.08191	1.1
251.11829	2.8
252.08804	1.1
253.09807	7.7
253.13440	2.6
254.10141	0.9
255.02924	1.2
265.09879	1.0
266.10593	3.7
267.11328	3.5
268.12207	1.0
269.12933	4.5
271.02332	2.0
279.11392	10.2
280.11801	0.7
281.12988	9.5
282.13181	1.1
284.03052	0.9
285.12421	2.5
295.10837	2.8
295.14163	0.7
297.12457	0.8
299.01852	2.2
300.02640	3.0
301.03604	0.8
307.10898	1.2
311.13965	0.6
312.11267	1.3
313.11932	4.8
325.11960	2.0
339.13477	2.5
358.15854	0.9
360.17191	1.0
372.17258	1.2
373.25882	1.7
387.27234	0.8
388.16165	1.0
388.20618	1.5
400.16568	1.0
404.19748	1.2
416.19678	1.7
432.19269	7.5
433.28116	0.9
442.17908	2.0
452.39273	0.8
460.18793	41.2
461.19348	5.0
478.19592	4.2
492.21274	3.9
502.20035	1.9
520.20880	100.0
521.21210	15.5
547.21674	0.9
607.39099	0.8
608.40485	19.2
609.14679	1.9
609.24426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2429
Annotation	Tiliasine
Peak:m/z	Relative Intensity
57.76933	0.4
59.01255	2.1
61.98691	1.3
63.96100	1.6
69.03313	0.7
71.01256	8.1
72.99191	0.7
73.02813	1.7
78.95808	0.4
78.98462	7.2
79.95603	15.7
80.96388	76.5
81.03320	0.9
83.01264	0.6
85.02834	3.3
87.00764	2.5
87.48847	0.5
94.97958	17.0
95.01250	0.8
96.95891	1.0
97.02808	1.9
98.19769	1.2
99.00774	0.6
101.02324	3.3
106.97974	3.7
122.97469	6.2
125.02352	3.4
125.09684	0.6
127.03893	0.6
130.79858	0.4
134.97476	5.4
136.99020	1.2
146.97527	0.6
148.99043	6.4
152.98524	7.7
152.99666	0.6
164.98546	13.2
167.00073	0.5
181.37048	0.4
182.99611	2.6
200.89149	0.4
202.28069	0.5
206.99626	4.4
209.11729	0.5
211.13216	0.5
225.00691	18.7
226.01129	0.8
243.01726	1.7
289.17950	0.5
299.04517	3.1
311.22238	0.6
363.30243	0.5
509.17090	0.6
607.24261	100.0
608.24579	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	607.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.4
59.01247	4.3
60.17350	0.3
61.98703	7.9
63.96102	1.2
67.01738	0.5
67.23880	0.3
69.03323	0.9
69.25393	4.2
70.71973	0.4
71.01251	8.8
71.04905	0.7
72.99175	0.4
73.02824	2.3
78.95776	1.2
78.98459	5.8
79.95600	17.2
80.96387	71.7
81.03337	0.8
81.96362	0.4
83.01261	0.8
85.02826	3.4
87.00760	3.9
89.02331	0.4
92.35538	0.4
93.03348	0.7
94.97955	16.7
95.01246	0.4
96.02055	0.4
96.45739	0.3
96.95901	1.7
97.02802	1.9
99.00762	0.7
101.02322	3.6
106.10476	0.3
106.97958	2.9
109.02876	0.3
113.02306	0.4
122.97476	5.8
123.67278	0.4
125.02339	3.2
125.09570	0.5
127.03891	0.8
127.14829	0.3
134.97476	5.1
136.99040	1.6
140.48975	0.3
143.03412	0.5
148.99057	5.9
152.98480	6.4
152.99542	1.4
156.26842	0.4
161.02228	0.3
161.04399	0.5
164.98540	12.0
167.00085	0.5
173.04495	1.0
182.99597	2.4
183.13756	0.3
191.05457	1.0
206.99590	3.4
209.11862	1.8
219.13824	1.0
225.00688	18.2
241.01248	0.5
243.01758	1.6
291.19614	1.0
299.04498	2.2
315.04977	0.5
371.22067	1.4
372.22559	0.4
399.09912	0.5
400.16275	0.4
415.14764	0.4
427.12845	0.5
433.12857	0.4
509.16364	0.4
534.29205	0.5
607.24219	100.0
608.24603	12.5
608.34326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.243
Annotation	Tiliasine
Peak:m/z	Relative Intensity
57.03326	0.6
59.01249	6.2
61.98703	24.2
63.96105	1.3
69.03340	0.7
70.63811	1.4
71.01250	8.6
73.02804	1.9
78.95776	2.3
78.98463	6.5
79.95606	17.7
80.96391	73.2
81.03329	1.4
83.01282	0.6
85.02819	4.3
87.00739	3.4
89.02325	1.1
93.03327	1.9
94.97964	17.0
96.95884	2.1
97.02814	2.1
99.00797	0.6
101.02313	4.0
106.97977	3.0
113.02316	1.2
117.60983	0.4
119.03427	0.5
119.14339	0.4
121.02864	0.5
121.85134	0.5
122.97476	5.4
125.02324	3.4
125.09581	0.5
127.03901	1.3
133.07010	0.5
134.97475	4.7
135.04396	0.6
136.99022	1.4
146.03607	0.6
148.99060	6.0
152.98517	7.5
152.99554	0.7
161.04453	0.6
161.05850	0.5
163.11201	0.4
164.98541	11.7
167.00137	0.5
171.00584	0.5
171.10086	1.0
173.04463	2.7
176.94823	0.4
179.03429	0.5
179.06967	0.9
182.99628	2.1
191.05482	1.5
191.07100	0.5
197.11700	0.7
205.03258	0.5
206.99594	3.8
209.11819	2.3
211.13329	0.7
225.00685	17.8
226.01007	0.7
227.12636	0.4
241.08241	0.5
243.01790	1.8
253.09181	0.5
291.07092	0.7
291.19736	0.6
299.04617	2.3
309.20538	0.8
310.20929	0.5
341.04935	0.5
397.13373	0.5
427.12897	0.6
465.01334	0.5
563.33618	0.6
607.24280	100.0
608.24506	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	606.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95501	4.5
59.01257	9.1
69.48735	4.7
71.57372	9.1
120.01135	100.0
154.67665	5.5
172.65530	4.9
174.98784	5.5
319.31674	5.5
413.02155	6.1
447.38010	5.8
562.19513	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	606.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60948	0.2
59.01246	1.5
61.98702	100.0
67.88968	0.2
69.31541	0.6
69.31938	2.0
71.01264	0.9
78.95796	0.5
79.95606	1.2
80.96390	3.2
83.04932	0.2
85.02800	0.4
87.00764	0.3
93.03329	0.3
94.32394	0.2
94.47869	0.2
94.87608	0.2
94.97984	1.0
95.93432	0.2
96.95905	0.2
98.20477	0.6
101.02307	0.4
101.62742	0.3
141.71991	0.2
148.99088	0.3
164.98552	0.7
171.10214	0.3
173.04541	0.5
188.26718	0.2
199.70898	0.2
209.11830	0.6
212.01761	0.3
225.00665	1.3
236.95052	0.2
302.57196	0.2
311.22455	0.4
406.96060	0.3
474.11752	0.3
509.17120	0.5
607.24139	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	607.2418
Annotation	Tiliasine
Peak:m/z	Relative Intensity
53.07719	0.4
54.32050	0.6
55.01748	0.8
57.03333	0.8
57.49878	0.4
59.01252	21.4
61.98697	1.8
63.50193	0.5
63.96112	0.5
67.01760	0.5
68.99642	0.5
69.03321	2.1
69.56194	3.3
71.01254	18.2
71.04897	0.7
72.99197	0.9
73.02818	4.5
75.00730	0.7
78.95787	1.3
78.98461	5.8
79.95610	12.2
80.96391	73.1
81.03347	1.6
83.01254	1.8
83.04893	1.4
85.02827	6.7
85.79407	0.5
85.99947	0.7
87.00751	5.8
89.02317	7.8
93.03341	2.0
94.97965	15.5
95.01272	1.6
96.95894	2.7
97.02806	2.6
98.19739	0.5
99.00774	1.2
99.04410	0.5
101.02328	11.5
106.97962	3.2
109.02804	0.8
111.00765	0.7
111.04356	0.5
113.02322	6.1
113.73135	0.5
119.03423	2.6
122.97479	6.2
125.02341	7.3
127.03905	1.3
134.03683	0.8
134.97479	4.2
135.04439	1.4
136.99045	0.8
143.03401	2.0
148.99055	6.6
152.97418	0.6
152.98555	8.1
155.10674	1.7
161.04480	2.1
164.98553	13.2
167.00063	0.8
171.10222	0.9
173.04478	1.4
179.03447	1.2
179.05545	2.0
179.72591	0.5
182.99573	2.6
191.05490	2.0
193.04997	0.6
206.99631	3.3
209.11781	26.9
210.12138	1.5
225.00699	21.5
235.08180	3.1
243.01770	2.1
253.09221	1.0
271.02206	0.5
287.07889	0.9
289.18188	0.9
299.01794	1.8
299.04770	2.5
305.08798	1.1
359.27917	0.9
397.13483	14.1
398.13754	1.2
400.16498	1.0
415.14685	6.6
450.04419	1.3
503.32269	1.1
521.33209	1.6
563.34375	2.0
607.24243	100.0
608.24463	14.1
608.34271	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85779	1.2
56.46041	1.1
56.64280	1.3
57.03318	2.1
57.58998	1.4
59.01250	66.4
61.98703	18.9
64.77335	1.5
70.13485	4.5
71.01250	10.3
73.02808	2.9
75.00767	7.6
78.95785	4.8
81.03323	1.8
83.01248	4.6
83.04903	2.6
85.02811	3.3
87.00734	1.9
89.02328	6.4
93.03336	1.4
96.95883	1.3
97.02843	1.8
98.19846	2.3
101.02316	9.8
113.02327	3.6
119.03437	1.5
125.09610	6.3
139.11151	2.7
151.11215	1.7
161.04510	3.2
163.11188	4.0
165.12750	12.5
167.10690	2.1
171.10233	2.3
176.64563	1.3
179.10654	1.7
181.12280	4.0
191.10622	1.7
193.15831	2.6
207.10173	1.9
209.11771	35.7
210.12114	2.2
217.00311	2.6
225.11493	1.5
235.08121	3.1
247.20685	6.6
253.09247	33.4
254.09656	1.7
265.21622	6.6
273.18524	2.4
283.22668	1.6
291.19666	55.1
292.19995	5.0
309.20706	100.0
310.21030	11.0
382.83627	1.4
444.75739	1.5
445.20703	2.6
447.13477	9.0
447.19025	1.9
448.13907	2.0
494.67761	1.6
545.29938	2.5
565.14374	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	603.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06393	0.8
59.01247	44.2
61.98697	0.9
63.11789	0.7
66.76111	0.8
69.31505	8.2
71.01265	1.9
72.36289	0.8
75.00752	2.7
78.95806	0.8
80.02530	0.9
81.03325	1.6
83.04908	4.5
84.02016	1.0
85.02840	1.2
93.03320	1.1
95.04902	0.8
96.95876	3.3
101.02341	1.0
125.05970	1.0
125.09610	1.5
137.09528	0.9
163.11147	2.2
165.12715	2.0
171.10194	7.9
173.04475	1.1
185.95738	1.0
191.05551	1.9
191.10645	1.3
208.15784	0.8
209.11757	100.0
210.12178	5.3
219.23555	0.8
227.12866	10.5
247.13277	1.6
253.09251	2.1
265.14371	1.0
286.52579	0.8
289.18103	5.2
307.19052	4.8
354.77103	1.0
357.76605	1.0
375.21320	1.0
389.35666	0.9
449.25278	1.9
471.74649	0.9
475.27063	2.2
493.27878	1.3
631.79395	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34465	1.4
57.03332	2.6
57.36534	1.6
58.13911	1.5
59.01248	46.5
61.98698	2.8
65.19397	1.4
69.19010	1.5
71.01253	12.9
71.58029	1.9
73.02823	2.8
79.68114	1.4
81.03336	1.8
82.22690	1.4
83.01256	2.5
83.04891	1.9
85.02836	4.4
87.00755	2.2
89.02313	9.3
93.03322	2.7
95.01232	2.7
95.04916	3.1
96.95907	3.7
97.06485	4.6
101.02328	10.8
109.06499	3.9
113.02324	5.0
113.05949	1.6
119.03331	1.6
123.04437	4.1
123.08009	2.4
125.09604	3.6
135.04439	1.7
137.09657	3.3
142.02600	1.5
151.11205	4.8
160.28041	1.6
161.04477	5.8
163.11201	2.9
167.10783	1.6
169.12282	17.3
171.10184	16.4
172.10641	1.9
173.04468	3.6
179.05420	1.4
181.12349	1.8
185.11790	4.9
191.05556	4.1
191.14330	7.8
193.12358	1.5
207.10201	4.3
209.11800	12.8
211.13371	4.8
213.11403	2.3
225.11247	2.5
227.13008	2.0
235.08151	1.6
237.11440	2.5
245.19014	11.5
253.09254	38.2
263.20206	1.9
264.68701	1.4
289.18094	100.0
290.18353	7.6
307.19150	66.0
308.19580	7.6
399.85870	1.4
404.16071	1.3
426.91669	1.5
472.79349	1.7
493.25894	1.7
576.36554	1.7
603.30316	19.2
604.30554	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	603.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59710	0.1
59.01250	0.6
70.11898	0.3
71.01269	0.2
78.95769	0.1
79.95609	2.7
80.30512	0.1
96.95890	100.0
97.95824	0.3
98.20483	0.1
101.02338	0.2
103.99150	0.1
133.89653	0.1
151.00212	0.1
168.76408	0.1
178.99815	0.1
191.05566	0.2
229.01567	0.1
240.84050	0.1
271.02502	0.3
275.61600	0.1
300.02643	0.3
505.10223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27154	2.7
57.03317	4.6
59.01249	91.5
61.98691	8.8
71.01247	23.6
71.15359	6.2
72.99167	5.7
83.01227	3.3
83.04898	3.5
85.02811	4.4
87.00732	5.1
89.02310	12.5
96.95862	3.7
97.06458	10.5
101.02309	16.3
111.08055	6.8
113.02306	6.6
119.03369	5.2
149.09654	2.7
151.11183	10.2
155.10632	3.7
161.04482	3.4
163.11160	4.0
165.12746	11.3
171.10147	5.0
179.10722	6.2
181.12216	15.4
183.13676	3.5
191.10643	8.9
191.14331	4.1
205.12166	3.3
209.11781	67.1
210.12125	5.7
211.13206	5.0
213.63515	2.5
227.12846	16.2
245.19069	15.7
253.09225	33.5
261.18478	3.1
263.20114	21.0
289.18063	31.9
290.18552	3.4
290.75476	3.4
307.19113	100.0
308.19427	9.2
438.26474	3.3
445.20776	18.5
460.19080	4.6
525.26807	3.0
543.28174	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	601.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.4
69.28892	2.8
69.29297	0.8
71.01247	0.7
82.04912	0.5
87.00751	100.0
88.00275	11.6
88.01105	1.5
88.03915	1.0
97.35913	0.4
113.02360	0.4
125.22432	0.4
148.66617	0.3
149.86917	0.4
149.94803	0.3
167.42287	0.4
190.70135	0.3
235.08527	0.4
270.01901	0.4
277.21747	5.7
278.22452	0.5
328.04858	0.5
601.15118	0.7
602.18842	0.6
605.45081	0.4
626.77985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.9
57.07091	0.5
57.07435	0.4
57.75776	0.4
58.00473	0.7
59.01249	17.7
61.98689	2.1
65.24297	0.5
69.03340	0.7
69.56460	1.5
69.56884	2.0
71.01255	5.5
72.99178	0.4
73.02819	6.7
75.00757	0.5
80.96370	1.0
83.01256	7.1
85.02824	1.8
87.00757	1.1
87.04382	2.0
93.03329	2.7
95.01295	0.5
96.95895	4.2
97.02821	1.3
97.03968	0.4
101.02316	3.9
108.02058	0.6
109.06468	0.7
111.04391	0.8
111.08001	0.6
113.02338	1.3
121.02843	2.5
122.03625	6.2
123.04432	1.2
125.02319	1.4
125.05995	0.7
133.02879	1.0
135.04420	1.1
136.01520	0.5
137.02325	0.9
139.11179	8.4
149.02354	2.7
150.03125	54.8
151.03905	5.0
151.07559	0.4
151.11217	1.6
153.01805	0.6
153.05377	0.8
163.11288	0.5
165.05481	100.0
166.05806	4.3
169.12233	3.2
173.04469	1.6
179.03462	0.9
179.10677	1.9
180.04150	0.6
181.12253	3.4
183.10190	12.8
191.05554	4.2
195.06500	0.9
197.11806	1.5
199.06053	0.6
199.13336	1.0
207.05011	0.7
207.10228	0.6
213.07654	5.7
225.11273	14.1
226.11569	0.9
231.10284	0.5
231.48604	0.4
243.12341	11.1
243.14696	0.8
244.12798	0.8
249.11272	1.9
267.12286	1.7
272.41095	0.5
281.13562	0.6
285.13510	1.8
291.12280	3.2
309.13440	0.9
327.14487	2.7
339.72217	0.4
387.16641	9.7
388.16754	1.1
508.37659	0.5
552.27203	0.6
583.24847	0.8
601.25031	53.6
602.25427	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	601.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	11.7
62.43066	0.7
63.02273	7.0
65.00192	12.5
68.52096	0.6
70.33554	1.3
70.33949	1.5
71.01250	5.5
73.02820	5.7
78.95798	0.8
83.01256	11.6
85.02817	0.8
89.02309	0.8
93.03362	0.8
95.01293	1.0
96.95882	1.6
101.02328	2.9
107.01269	21.2
109.02883	0.8
111.00731	0.9
113.02369	0.7
121.02946	0.7
123.00778	1.3
124.01552	6.9
125.02370	7.3
135.04449	0.7
137.02359	1.6
151.00275	100.0
152.01073	20.4
152.03435	1.1
153.01752	2.8
156.84370	0.7
163.00285	0.6
165.01875	1.0
165.94737	0.6
169.01329	21.5
170.01801	0.9
172.05287	0.7
173.05986	1.7
174.03056	1.1
177.01851	1.0
178.99776	27.8
180.00131	1.1
185.05978	1.4
187.03964	0.9
187.07594	1.2
189.09268	1.4
190.02660	0.8
191.05634	1.2
199.07657	2.0
201.05530	2.3
209.05992	0.9
211.04063	1.1
215.03416	0.8
215.07027	4.4
216.07834	3.2
217.08589	1.4
225.05551	2.7
227.03513	0.8
227.07106	6.5
235.07605	1.3
237.09186	1.7
239.07068	1.8
241.08696	2.1
243.06442	0.8
246.06847	2.1
248.08528	0.8
249.05557	2.1
253.05064	5.0
253.08890	1.2
261.09225	1.9
263.07120	2.7
265.05145	1.3
265.08572	1.9
267.06577	1.7
269.08286	1.9
270.01846	0.9
271.02280	0.8
274.06400	1.7
277.08878	0.9
279.06711	0.8
280.07364	1.4
281.08099	0.8
289.08630	3.8
290.05838	4.1
291.06653	3.8
293.04550	2.8
293.08228	1.3
295.02161	0.9
305.08212	5.8
306.08789	1.1
308.03397	3.9
309.04074	1.7
311.02026	1.7
321.04114	3.2
322.04706	1.9
323.05557	0.9
325.03616	1.3
325.07059	1.2
333.07651	22.2
334.08148	3.1
336.02722	1.1
336.06369	0.9
337.03320	0.8
350.04254	3.2
350.08124	1.1
351.08710	3.4
353.06659	72.0
354.06946	8.1
358.84653	0.8
361.07159	51.0
362.07620	4.9
375.01025	0.7
378.07410	8.9
379.08209	32.7
380.08505	3.5
396.08527	2.9
397.09204	3.8
449.14557	2.3
475.12393	1.7
583.14429	2.0
601.15613	65.2
602.15961	10.1
619.39117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85136	0.5
50.87155	0.5
51.53811	0.5
59.01248	4.2
71.01248	0.8
71.34802	0.9
78.95801	0.5
106.59868	0.5
107.01276	0.8
115.36346	0.5
118.19499	0.5
119.04928	0.6
124.01556	0.5
133.02788	0.8
137.02333	0.6
139.03899	1.1
151.00334	2.6
158.03616	1.4
161.02359	1.8
169.01271	0.7
170.03670	0.7
171.10214	1.6
173.04468	1.4
175.03897	0.7
178.99792	1.1
183.04350	0.5
186.03146	4.7
189.01828	1.2
190.02682	1.5
198.03085	0.8
199.03908	1.9
211.13300	1.1
214.02637	9.0
215.03398	0.9
216.00513	1.1
217.01338	0.8
218.02112	0.9
227.03404	1.5
241.01387	32.4
242.02141	18.7
243.02869	4.1
245.00879	23.1
246.01181	2.2
255.03044	1.2
270.01688	60.9
271.02411	27.8
272.02725	1.6
273.00385	1.3
274.00931	0.8
298.01172	37.7
299.01941	47.8
300.02448	4.9
301.03421	0.6
353.06671	1.9
367.08282	0.7
396.08447	5.6
397.09158	2.1
432.13895	0.7
503.08374	4.9
504.09055	2.7
534.19592	0.6
601.15613	100.0
602.15955	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	601.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.3
59.01248	2.8
61.47957	0.7
63.02265	8.0
63.77796	0.6
65.00193	8.1
69.25847	7.4
71.01260	1.3
73.02809	1.3
80.87680	0.6
83.01250	7.3
83.04906	0.7
95.01285	1.0
107.01270	16.8
109.02866	1.1
111.00733	0.9
112.99201	0.8
123.00721	1.2
124.01557	8.2
125.02348	16.5
137.02345	1.7
151.00275	72.8
152.01064	20.7
153.01839	4.3
159.04401	1.7
163.00310	1.0
169.01355	10.2
172.05222	0.8
173.06001	3.5
175.03935	0.9
175.07495	0.6
177.01854	2.2
178.99782	100.0
180.00148	4.0
181.01381	1.0
186.06735	1.0
187.04001	1.4
187.07565	2.8
188.04730	1.4
189.05505	4.1
190.02684	0.8
193.01382	0.8
197.06000	0.8
199.07632	1.7
200.04733	5.1
201.05463	2.4
202.06143	1.0
212.04709	1.4
215.07091	28.3
216.07552	2.7
217.08665	4.0
219.02795	0.9
219.06653	0.7
225.05525	1.6
226.02637	1.0
226.06181	0.8
227.07063	3.4
239.03502	1.4
241.01401	1.2
241.05003	4.7
242.05786	1.8
243.02919	1.1
243.06572	4.5
251.07048	0.8
253.05029	5.4
254.05833	1.6
255.02956	1.0
255.06546	1.1
264.04181	1.5
265.05209	0.8
265.08731	1.2
267.06573	0.9
269.08157	1.3
270.05292	1.3
271.02539	2.6
271.06110	8.5
271.96799	0.7
277.05173	0.8
278.05835	0.8
280.07120	1.0
281.04718	1.2
281.08127	1.1
283.09628	1.1
289.08698	1.1
291.06519	1.5
292.07242	1.2
293.04877	1.5
293.08194	5.1
294.08551	1.0
296.03247	1.2
299.01892	1.8
300.02737	6.2
305.07910	1.5
306.08942	0.9
307.06186	0.8
307.09726	0.8
309.04135	0.7
309.07684	1.5
311.02051	1.0
311.09348	1.5
319.05878	0.7
321.04050	1.4
322.04831	2.0
323.09152	1.4
325.07108	1.4
333.03976	1.1
333.07632	5.6
334.08319	1.9
335.09250	1.2
336.06415	1.6
337.07101	1.1
351.08713	1.7
353.06659	23.9
354.06918	2.6
361.07141	3.6
369.09988	1.5
378.07251	3.3
379.08237	16.5
380.08630	1.6
396.08624	0.8
397.09271	44.3
398.09552	5.4
448.33463	0.7
475.12305	3.7
559.14655	11.0
560.15308	1.9
601.15643	68.7
602.15918	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	601.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.0
58.43067	0.6
59.01249	2.4
62.74244	0.5
63.02267	9.7
65.00193	10.8
66.00529	0.5
66.64188	0.5
68.05916	0.5
68.99686	0.8
70.13746	2.0
71.01242	0.8
73.02818	1.1
75.89461	0.5
80.72461	0.6
81.03366	0.6
82.48251	0.5
83.01260	11.7
95.01245	1.6
96.02080	0.9
96.95898	0.9
98.19889	0.6
107.01270	22.6
109.02831	1.8
111.00797	0.9
113.02319	0.6
123.04422	0.6
124.01549	9.8
125.02335	17.6
126.79497	0.6
129.26442	0.5
135.00774	0.8
137.02391	0.9
139.00259	0.7
147.00877	0.5
151.00273	79.0
152.01073	24.3
153.01852	6.1
159.04454	1.6
163.00230	1.6
169.01346	12.6
170.01619	0.7
172.05319	0.8
173.04565	0.9
173.05869	2.8
175.03847	0.9
177.01843	2.2
178.99779	100.0
180.00130	3.4
181.01297	1.7
182.03674	0.8
184.05318	0.6
184.84459	0.6
185.06012	1.0
187.03889	1.2
187.07521	4.0
188.04544	0.7
189.05495	5.0
190.02567	0.8
191.05553	1.1
193.01527	0.6
197.06029	1.5
199.03922	0.7
199.07617	2.9
200.04729	6.0
201.05453	2.6
202.06221	1.2
211.03851	1.1
212.04732	1.0
213.01772	0.6
214.02621	1.1
214.06386	0.7
215.07076	30.7
216.07561	3.2
217.08656	3.6
219.06610	0.7
225.05524	2.2
226.02701	1.2
226.06262	1.1
227.07045	4.0
232.03719	2.1
239.03252	0.7
240.04164	0.9
241.01387	1.4
241.04996	5.8
241.08656	0.8
242.02122	2.1
242.05807	2.1
243.02946	1.1
243.06702	4.2
253.05002	4.6
254.05801	2.2
255.02940	2.7
257.08078	0.9
264.04279	1.4
264.07999	0.6
265.05057	1.3
265.08655	1.0
267.06686	1.4
268.07361	0.8
269.04633	1.0
269.08136	1.7
270.01666	1.7
270.05212	0.9
271.02469	4.4
271.06097	7.0
277.05099	1.2
277.08517	0.8
278.05807	1.1
280.07483	0.8
281.07990	1.5
291.06674	1.1
292.07312	0.8
293.04645	1.5
293.08200	4.2
294.05301	0.9
295.06113	1.0
296.03122	0.9
298.01120	1.4
299.01852	2.6
300.02744	8.9
305.08179	1.5
307.06140	1.1
307.09702	0.9
309.07648	1.2
310.08270	1.0
311.01996	1.0
311.09161	1.1
321.03922	1.9
321.07507	1.1
322.04761	1.3
323.09201	1.0
325.07169	1.9
333.07672	5.8
334.08224	1.6
335.09271	1.4
336.06247	2.0
337.07135	0.8
351.08704	2.0
353.06631	21.9
353.23300	0.7
354.06952	2.2
361.07199	2.5
378.07275	3.0
379.08231	12.5
380.08621	1.3
396.08429	2.0
397.09244	45.7
398.09686	5.8
475.12216	2.9
559.14465	8.1
560.14825	1.7
601.15601	62.9
602.15930	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	601.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.4
63.02253	0.8
64.10233	0.5
65.00208	0.6
69.24939	2.5
69.25367	3.0
83.01249	0.7
96.95893	0.5
107.01281	1.1
133.02840	0.7
145.02832	0.6
151.00282	2.5
152.00894	0.6
158.03630	2.3
161.02312	1.4
170.03609	1.3
171.04443	1.1
171.10223	1.3
172.01537	1.2
173.28366	0.6
175.03926	0.9
178.99748	1.2
183.04453	0.9
186.03166	6.2
187.03822	0.7
188.04272	0.5
189.01851	2.0
190.02660	0.9
192.00677	0.5
198.03137	2.0
199.03917	3.2
201.01859	1.4
202.02582	0.5
209.11806	1.0
210.11926	0.5
213.01808	0.8
214.02661	21.4
215.03210	2.8
216.00598	0.9
217.01408	0.6
218.02248	0.8
226.02705	2.0
226.53679	0.5
227.03482	3.1
233.73341	0.5
241.01384	20.3
242.02159	42.5
243.02776	7.5
245.00887	13.7
246.01228	0.8
255.02864	2.5
269.00833	0.7
270.01675	46.9
271.02426	34.2
272.02863	2.6
273.00253	1.1
298.01157	16.8
298.04550	0.8
299.01947	40.7
300.02502	5.0
301.03247	0.7
324.06320	0.8
339.08643	2.3
354.77640	0.6
367.08252	3.5
396.08459	23.1
397.09204	6.6
439.10263	0.7
503.08658	1.6
504.09131	5.6
505.09549	0.9
548.12201	0.5
554.98865	0.5
601.15613	100.0
602.15967	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	601.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04830	0.4
59.01245	0.9
60.35942	0.4
64.27669	0.4
64.82368	0.4
72.78179	0.5
128.10008	0.5
149.99516	0.5
151.00255	1.2
152.01071	0.5
158.03645	2.1
161.02309	0.9
168.53578	0.5
170.03645	1.0
172.01604	1.2
174.03049	0.5
182.03671	0.5
182.68921	0.5
185.02328	0.6
186.03114	6.9
186.04608	0.8
189.01889	1.4
190.02621	0.6
196.05669	0.5
198.03163	2.0
199.04024	0.5
201.01898	0.7
211.13167	0.5
213.01894	0.7
214.02657	18.5
215.02939	1.4
216.00533	0.7
217.01398	0.6
218.02118	0.8
222.92400	0.5
226.02670	0.9
227.03455	0.6
229.70653	0.4
241.01373	25.3
242.02158	47.8
243.02565	3.7
245.00876	16.7
246.01274	1.1
269.01007	0.8
270.01678	58.4
271.02335	10.0
273.00470	1.7
281.04510	0.8
286.94843	0.5
295.06219	0.5
298.01172	26.6
299.01822	8.2
300.02484	0.7
309.04114	1.1
310.04794	1.1
339.08707	2.4
367.07962	2.1
368.08780	1.0
396.08466	23.1
397.09015	7.1
398.09607	0.8
400.15475	0.7
439.10312	0.7
470.21271	0.5
504.09256	0.9
578.41962	0.5
601.15619	100.0
602.15924	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	599.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34003	0.7
50.34373	0.9
55.01744	1.1
57.03330	2.0
59.01250	93.5
60.01577	0.9
61.98705	6.2
67.74862	0.8
68.36689	0.8
71.01251	18.8
71.04886	1.5
71.58389	1.4
72.52388	1.0
72.99183	1.1
73.02824	7.8
78.95773	1.5
81.03323	1.6
81.23669	0.9
83.01276	5.3
83.04887	3.1
85.02820	12.8
87.00729	2.8
89.02317	1.7
93.03346	6.3
95.01237	2.8
95.64972	0.9
96.95883	8.3
97.02838	1.6
99.00754	2.2
99.04389	7.8
101.02349	9.5
108.02061	11.8
108.61537	0.8
109.02827	19.1
110.50632	0.8
111.04417	1.3
113.01722	0.8
113.02343	8.1
119.03343	1.0
119.04803	1.0
119.33028	0.8
121.02839	4.7
121.06459	1.8
121.80227	0.8
122.03625	48.1
123.04417	56.1
124.04698	1.2
125.02306	3.0
129.01849	0.9
134.03609	1.2
135.04395	2.9
137.02344	15.0
141.05267	1.0
148.01503	1.2
149.02316	1.6
149.05968	6.5
150.03098	2.0
151.00331	1.3
152.01036	1.4
153.05478	1.6
161.02472	1.0
161.04427	5.2
163.03848	2.7
165.05449	2.2
165.12762	1.9
167.03416	1.9
167.10626	1.0
168.00499	0.9
173.04472	3.7
179.03415	1.0
179.05582	1.0
181.04965	2.8
191.05563	7.1
203.05505	2.2
207.13818	3.9
209.11774	8.4
211.06024	5.9
225.14862	8.1
227.12840	39.1
228.13211	1.2
251.12856	1.4
267.08688	8.5
269.13895	3.2
280.72208	1.0
287.14893	2.5
327.10889	1.5
371.09766	1.9
387.16434	0.9
416.67267	0.9
537.23553	9.3
555.24432	27.5
556.24561	3.9
581.22327	8.6
582.23419	1.7
599.23395	100.0
600.23737	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	599.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67144	0.4
57.03320	0.9
59.01251	23.3
61.98711	1.0
65.20298	0.5
69.03334	0.6
71.01250	4.9
71.04920	0.5
71.37744	0.8
72.99177	1.7
73.02822	6.9
80.02550	0.5
83.01251	9.0
85.02829	2.2
87.00756	0.7
88.05051	0.4
88.98695	0.4
89.02323	0.6
93.03334	11.5
95.01273	0.7
96.95872	4.9
97.06450	0.6
99.04395	1.0
101.02320	5.7
106.10822	0.5
108.02051	25.6
109.02876	0.9
113.02340	1.6
119.04991	0.5
123.04414	13.1
125.02338	1.4
131.03320	0.6
134.03624	2.3
135.04405	1.8
135.06546	0.7
135.58846	0.5
136.99071	0.5
137.02339	12.8
138.02760	0.4
139.11128	0.6
143.03473	0.5
149.05965	0.6
150.03151	1.1
152.01057	58.1
153.01491	1.8
155.10684	0.6
159.09756	0.5
161.04381	0.5
163.03905	0.6
165.05518	1.7
165.12791	0.6
167.03415	100.0
167.10684	2.5
168.03714	3.1
173.04468	2.6
174.01831	0.5
178.02583	0.7
179.03439	0.7
183.10132	0.6
187.03879	0.5
191.01859	0.7
191.05504	3.3
193.05006	2.1
199.09683	0.7
207.05183	0.5
207.13847	1.5
209.11792	2.2
211.06047	3.8
225.11526	0.7
225.14955	2.7
227.12837	12.7
233.11772	1.3
251.12894	1.5
254.07698	0.5
269.13956	5.9
287.14984	12.0
288.14999	0.7
293.13986	0.5
311.15125	1.3
317.13684	0.5
329.16071	1.8
371.09866	0.8
371.17178	1.3
375.06754	0.5
382.09387	0.5
413.18170	0.7
431.13718	0.4
431.19232	8.4
432.19733	0.7
581.22632	1.0
599.23407	19.2
600.23700	3.1
624.13831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42187	0.8
57.03311	0.9
58.02848	13.4
59.01253	7.0
61.98693	2.0
64.06523	0.7
64.18454	0.7
66.03362	1.8
70.02859	1.0
70.33005	3.1
71.01248	5.1
72.00777	0.7
73.02821	1.5
74.00539	1.0
74.02345	26.3
78.95773	0.7
80.02560	1.1
81.04433	1.8
82.02859	3.9
83.01255	1.1
83.04892	2.6
84.04418	1.6
85.02794	2.1
86.02348	13.8
86.05982	3.0
86.98983	1.1
87.00750	1.2
87.05506	5.9
88.03899	1.1
89.02304	1.5
90.98456	0.8
93.03341	3.1
95.04911	1.1
96.04433	1.2
96.95908	1.6
97.03959	3.4
99.05518	22.3
100.00301	3.7
101.02306	1.9
101.07099	4.1
102.05483	5.3
107.06023	2.1
108.04430	0.8
109.03959	6.0
109.06409	0.7
109.07584	2.2
111.05514	2.3
112.03937	1.9
113.02387	0.9
113.03409	1.1
116.88890	0.8
119.03396	0.8
119.31762	0.7
119.32761	0.7
123.05521	3.1
124.03971	1.1
125.03451	3.3
125.09623	0.9
126.04288	0.9
127.05032	2.7
127.11166	0.9
128.03430	74.3
129.03783	2.3
133.02846	0.9
134.03616	1.2
135.04402	4.9
135.05530	8.6
137.07115	2.2
139.08640	1.0
141.06583	3.0
143.04527	94.1
144.04840	2.0
145.06081	3.5
146.04506	10.7
153.06598	5.3
153.09070	1.3
155.08141	1.0
161.04509	1.0
163.11218	2.2
166.09770	5.1
167.04544	4.0
167.08185	4.7
169.06068	1.0
170.03212	2.6
171.04050	1.8
171.10182	63.2
173.04509	4.6
177.01877	1.6
178.02583	1.0
179.04564	24.6
180.04837	1.0
181.06126	3.1
184.10869	1.2
185.05580	4.0
187.07841	0.9
191.05525	2.5
191.10762	0.9
192.07732	2.9
193.12279	0.9
197.05638	3.2
209.11777	53.4
210.08795	20.5
211.09016	0.9
228.09857	2.5
230.66980	0.8
236.06902	1.7
253.09311	3.0
254.07809	55.9
255.08170	2.8
266.32846	0.7
271.70502	0.9
272.08887	100.0
273.09186	5.1
274.88013	0.8
276.09662	1.1
286.05225	0.8
291.19699	4.6
304.05920	1.5
322.11581	1.0
325.18320	5.6
345.20612	1.3
363.21860	2.5
445.20734	1.2
458.12335	0.9
469.23856	6.4
502.14188	1.3
577.93048	0.9
580.27026	7.0
581.29303	3.1
598.28082	37.4
599.28827	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	597.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23762	0.4
57.03307	0.8
58.02847	0.7
59.01250	5.5
61.98691	1.2
65.93864	0.4
69.03315	0.7
69.88010	0.8
69.88402	1.0
71.01247	3.4
72.99191	0.5
73.02805	0.8
75.00730	0.4
75.68358	0.4
81.03329	12.4
83.01260	0.8
83.04896	41.2
84.05225	0.6
85.02835	2.6
87.00736	1.7
89.02310	1.2
93.03332	2.5
96.95887	5.1
98.19869	0.8
99.04455	0.5
100.07555	5.7
101.02312	2.3
102.01856	1.1
108.02024	1.1
109.02818	1.1
111.04407	0.6
113.02316	1.1
119.04922	0.8
122.03555	0.6
125.02314	0.7
126.05484	1.0
127.03895	0.6
135.04439	0.6
137.02318	1.6
145.04930	0.9
152.01056	0.7
153.01820	0.7
161.04446	0.6
165.05576	0.5
167.03404	1.6
168.00520	0.4
173.04550	3.1
178.99669	0.4
179.03412	0.6
187.07449	0.4
191.05540	6.3
192.05930	0.8
199.13353	1.0
199.18103	7.6
207.05063	1.6
214.06250	0.5
224.17635	0.7
225.16054	9.6
226.16454	0.4
243.17119	21.2
244.17421	1.2
269.14993	1.5
279.11407	0.7
285.03699	0.5
299.01843	0.5
309.21896	0.8
339.13229	0.4
353.20844	7.3
354.21109	0.8
373.25955	1.4
391.26974	2.4
397.13589	0.7
451.32941	2.5
469.33960	14.8
470.34674	2.1
495.31418	0.7
522.18640	0.5
537.33057	0.5
553.23370	0.8
579.37579	2.2
580.38269	0.6
597.38690	100.0
598.22980	0.7
598.39001	18.8
611.20166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17507	0.5
57.03316	2.7
58.00460	1.2
59.00984	1.0
59.01250	10.9
61.98690	1.3
67.28239	0.7
69.03340	0.7
71.01258	5.0
71.58758	1.0
72.99168	0.9
73.02830	4.6
78.95792	0.7
81.03314	1.0
83.01247	1.3
83.04892	1.4
85.02814	3.5
87.00745	2.7
87.04388	6.8
88.98682	1.0
89.02289	1.5
93.03327	3.8
95.04840	0.8
96.95884	3.7
97.02809	1.7
99.04400	1.3
101.02303	5.3
101.29542	0.6
105.84216	0.6
107.04915	0.7
109.02823	3.4
109.06464	1.5
111.04359	1.4
113.02348	1.7
119.04861	1.0
121.02944	0.6
121.06456	1.5
122.03648	5.1
122.06016	0.8
132.04399	1.1
133.06514	0.9
135.04384	4.5
135.08060	1.9
137.02315	1.4
137.05945	3.6
137.09608	14.0
139.07558	0.7
139.11162	1.1
149.09615	1.9
150.05591	0.7
151.11169	0.8
152.07053	1.1
155.03371	1.0
155.10681	80.0
156.11006	3.7
159.08058	0.6
165.91110	0.7
169.12244	4.1
173.04460	3.2
173.05782	0.7
177.01892	1.3
178.02524	0.7
179.03398	1.2
179.10686	0.7
181.08568	3.8
187.07637	0.9
189.03937	0.9
191.05544	8.2
191.10704	7.4
192.05785	0.7
199.09691	34.3
200.10030	1.7
203.07034	1.0
207.05038	3.0
209.11751	1.6
213.11247	3.1
215.06985	0.8
227.12790	1.0
241.10794	13.7
242.11273	0.9
253.09172	0.7
255.11533	0.8
299.10095	1.1
301.12924	4.1
307.19043	2.1
325.20013	1.1
331.19049	0.6
345.16995	0.9
404.05167	0.7
543.28125	1.3
553.26318	1.5
579.21106	1.8
597.25476	100.0
598.25903	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	597.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31549	0.5
55.01744	0.5
57.03310	0.7
59.01245	8.1
71.01253	5.9
72.99161	0.5
73.02812	4.6
75.75939	0.4
83.01260	0.6
83.04910	0.6
85.02806	2.4
87.00768	1.3
87.04406	0.8
88.23940	0.4
89.02307	3.1
93.03318	0.6
95.01254	0.6
96.95883	2.7
97.02834	0.7
101.02323	4.0
111.00736	0.5
111.04453	0.6
113.02320	2.7
119.03384	0.7
125.02326	0.9
135.08057	2.1
137.02431	0.5
137.09616	10.3
147.45805	0.5
155.10681	100.0
156.11028	4.6
165.01779	0.6
169.12263	0.5
173.04431	0.9
179.03491	1.0
180.04164	0.5
181.08640	1.4
191.05539	2.5
195.06493	0.8
199.09688	23.7
200.10007	1.5
213.11159	0.5
225.07631	0.9
232.63710	0.7
241.10841	2.1
275.64673	0.5
537.32739	2.6
555.33929	0.6
596.39996	0.7
597.23987	97.2
598.24274	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	596.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35154	0.9
59.01255	27.9
61.73502	0.9
61.98702	1.3
62.27914	0.9
69.76022	5.6
70.74121	1.2
85.02849	1.0
96.95910	2.9
106.06515	4.6
108.04438	1.4
109.02862	1.6
122.06002	5.6
124.07588	2.0
132.04446	13.3
133.05220	4.5
134.06017	32.3
135.06406	1.7
140.74931	1.0
144.04472	1.4
146.06032	6.4
150.05469	1.8
152.07054	4.4
153.01808	2.3
158.06070	2.5
159.06747	1.3
165.04263	5.1
166.05035	1.0
168.06546	1.0
173.04498	1.7
183.38869	1.2
191.05591	5.4
215.11888	1.4
224.09441	1.6
226.07455	1.2
226.12375	2.4
237.10300	3.9
241.09804	2.7
251.11850	4.3
252.12682	3.7
253.13570	1.7
257.12918	15.4
265.09821	4.4
267.11404	1.1
269.12939	9.8
270.13443	1.1
279.11365	14.3
280.12048	9.2
281.13016	9.1
282.13544	1.7
283.11026	2.2
283.14178	2.7
287.04044	1.1
294.10107	2.1
295.10809	1.4
297.12323	1.7
301.11841	1.5
312.11099	2.6
404.19818	15.9
405.20175	1.1
422.20688	1.3
430.17651	1.5
448.18753	9.7
449.18936	1.2
464.21832	5.2
466.19797	3.0
508.20874	100.0
509.21036	13.5
563.22748	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	597.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26388	1.9
59.01247	50.6
71.57166	3.8
85.57315	1.8
96.55611	2.3
96.95866	10.6
121.02852	7.6
122.03643	4.1
142.62381	2.1
146.03648	5.7
149.02327	45.7
150.03134	32.8
159.03412	2.2
161.05954	3.0
164.04651	12.2
165.05492	43.5
167.81920	2.2
179.07080	16.4
180.04353	2.6
191.79291	2.0
191.89830	2.2
192.69200	2.3
195.06549	40.7
196.06877	3.4
312.10129	17.2
327.12341	100.0
328.12781	8.2
375.14450	26.8
597.17493	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	595.2885
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
64.94999	0.6
68.43661	0.6
70.01666	3.0
78.95774	69.0
80.52123	0.6
96.96838	13.0
96.97416	1.2
107.20354	0.7
112.66148	0.6
150.97853	1.5
152.99484	100.0
153.99861	1.2
168.90318	0.6
171.00523	2.6
199.23116	0.6
223.00084	10.4
227.28175	0.6
233.93884	0.8
241.01154	24.4
242.01422	0.7
246.40106	0.6
259.02246	1.4
279.23276	66.2
280.23596	6.8
289.56277	0.8
315.04871	14.9
333.05939	1.8
595.28870	76.9
596.29285	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	596.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26371	0.7
57.31908	0.7
59.01252	28.2
59.88698	0.7
62.10488	0.7
65.92455	0.7
71.01246	2.5
73.02814	1.5
73.90620	0.6
74.39172	0.7
75.70385	0.7
85.02822	2.5
87.00729	1.5
87.85833	1.0
93.03326	2.1
93.77076	0.7
94.03724	0.9
96.95882	2.2
101.02322	1.5
106.06517	5.8
109.02825	1.0
111.38054	0.8
118.06462	0.9
120.63963	0.8
121.05245	1.0
122.06006	8.3
124.07563	1.5
132.04443	11.6
132.07988	0.8
133.05260	3.6
134.06006	31.8
135.06438	1.4
144.04414	1.0
146.05994	5.0
147.04269	0.7
150.05525	2.1
150.41319	0.9
152.07033	4.7
153.01865	0.9
154.96149	0.8
154.97438	0.8
158.05951	2.1
159.06752	0.9
160.07547	1.4
162.05533	1.6
165.04233	4.8
173.04475	2.3
186.09000	0.8
191.05594	6.8
192.05861	1.1
198.09111	1.0
207.05128	1.1
214.12355	0.9
215.11885	2.4
223.08659	0.9
223.12515	0.7
224.09401	1.7
226.12317	2.3
229.09769	1.8
237.10301	4.6
239.11876	1.0
241.09865	4.0
251.11823	5.4
252.12614	2.1
253.09769	1.2
253.13501	1.2
254.10652	1.1
255.11417	1.3
257.12939	15.4
258.13242	1.0
265.09869	4.4
267.11218	1.2
269.12964	7.6
279.11383	14.3
280.12128	6.4
281.12897	10.2
282.81906	1.1
283.10938	3.6
283.14438	2.7
284.11588	0.8
294.10046	1.4
295.10788	1.7
301.11844	1.4
312.11163	2.7
313.11829	1.0
317.38257	0.9
339.13278	1.4
371.15213	1.1
376.15976	0.9
404.19775	16.2
405.20084	1.3
430.17657	1.7
448.18750	12.3
448.29779	0.7
449.18771	1.4
464.22198	3.8
466.19836	3.3
490.19952	1.5
508.20837	100.0
509.21130	15.0
532.93134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01224	0.8
60.16082	0.5
70.86829	1.8
78.95774	85.8
80.91570	0.7
83.67667	0.5
94.61372	0.6
96.96841	17.9
110.62762	0.6
150.97945	0.8
152.99492	68.6
153.99831	1.2
171.00606	1.0
209.11832	4.0
223.00134	2.9
241.01161	38.2
242.01453	1.3
259.02435	0.7
261.22162	0.6
279.23285	77.8
280.23642	7.4
311.22284	1.5
315.04800	11.5
415.22513	8.4
416.23047	1.1
595.28876	100.0
596.29272	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	595.2791
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
51.27833	0.4
59.01248	3.1
61.55278	0.5
63.96098	1.1
65.65960	0.4
68.52614	0.4
70.01472	1.8
71.01253	6.4
73.02814	1.6
73.97016	0.3
78.98461	6.0
79.95602	10.8
80.96387	67.1
81.03346	0.9
82.95986	0.5
83.01279	0.4
85.02824	2.7
87.00751	3.0
87.48180	0.4
91.03889	0.4
92.09657	0.4
94.97953	14.6
96.95890	1.5
97.02818	1.2
99.00746	0.9
101.02338	3.4
106.97975	3.2
113.02358	0.5
122.69734	0.5
122.97471	5.7
125.02327	3.2
127.03886	1.2
129.51344	0.4
134.97478	4.7
136.99014	1.5
148.99046	5.5
152.97397	0.6
152.98537	7.2
164.98537	11.6
167.64041	0.4
168.80998	0.4
179.00212	0.4
182.99620	3.2
184.94652	0.4
188.98537	0.5
191.05351	0.5
195.13806	1.2
206.99641	3.3
225.00685	17.9
226.00923	0.8
243.01816	1.9
245.48601	0.4
277.21680	0.5
295.22733	1.3
299.04382	3.5
303.10800	0.4
339.23035	0.5
571.63361	0.5
595.27887	100.0
596.28265	14.2
596.37701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.0
59.01249	19.7
61.98696	0.6
71.01258	2.4
72.99181	0.4
73.02824	4.4
73.81056	0.4
83.01254	5.0
83.01715	0.5
83.04874	0.3
85.02827	1.2
86.01039	0.3
87.00755	2.0
93.03331	3.0
96.95898	0.6
97.06472	0.7
98.20557	0.8
99.04425	0.4
101.02325	3.1
109.06507	0.6
111.04397	0.6
113.02332	0.6
115.41112	0.3
119.04913	100.0
120.05252	3.5
125.02337	0.7
135.04449	0.4
141.06975	0.3
143.03358	0.6
151.03841	0.3
161.78616	0.3
163.03915	69.0
164.04240	3.5
165.12714	0.4
167.10696	1.4
173.04492	4.3
180.56012	0.3
187.07620	0.6
189.12704	0.4
191.05531	4.5
194.69168	0.3
200.08264	0.3
207.05083	0.4
207.13870	0.9
209.11810	1.8
211.07466	0.4
214.06351	0.6
215.07149	0.3
223.13367	0.5
225.14915	2.6
227.12830	12.4
228.13182	1.1
233.11823	0.8
251.12869	1.1
269.13928	4.0
274.08231	0.4
287.15009	5.5
288.15225	0.6
293.13876	0.5
307.08163	0.5
311.15265	0.6
321.67847	0.3
329.16122	0.6
353.15915	0.4
367.10147	0.8
371.17224	0.4
389.16064	1.1
413.18018	0.6
431.19189	5.1
432.19519	0.5
464.95749	0.4
478.19733	0.9
577.22876	3.5
578.23413	0.6
595.23901	31.4
596.24359	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	595.131
Annotation	Peltatoside
Peak:m/z	Relative Intensity
59.01242	3.8
63.45763	0.7
65.00182	0.8
70.86648	1.6
71.01254	2.3
83.01256	1.7
85.02831	1.5
85.48744	0.6
86.85932	0.6
87.00711	0.9
87.51977	0.6
89.02295	1.9
93.03320	1.3
96.95889	6.9
101.02309	1.4
107.01261	1.9
108.02080	1.0
109.02843	1.2
111.00733	0.8
113.02335	1.2
121.02811	2.3
123.00745	0.6
131.08009	0.7
140.32069	0.6
148.01431	1.1
151.00285	8.2
159.04395	0.6
163.00266	1.4
169.01324	0.8
173.04443	1.5
177.05499	0.6
178.99776	4.6
191.05551	4.2
192.00589	0.7
199.03876	0.8
202.06931	0.5
211.03767	0.7
215.03510	0.7
216.04044	0.8
226.02660	1.5
227.03493	2.0
243.02931	9.3
244.03445	0.9
250.56186	0.6
254.02014	1.3
255.02969	24.5
256.03336	1.4
271.02466	49.1
272.02917	5.8
283.02405	0.7
299.01962	2.8
300.02734	100.0
301.03406	28.7
302.04034	0.8
305.10730	1.5
429.54410	0.7
433.07739	10.3
463.08807	3.7
535.31488	0.9
570.43933	0.8
595.13031	51.8
596.13159	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	594.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17404	0.3
52.83237	0.3
57.03312	1.1
59.01251	22.4
61.41464	0.3
61.98694	1.0
70.91329	0.9
71.01244	1.1
78.95775	10.8
79.95605	0.9
80.96385	5.3
82.95954	0.5
83.04866	0.3
85.02835	0.5
87.00732	0.6
93.03340	1.2
94.97955	1.2
96.95906	0.3
96.96853	0.5
97.06437	0.5
101.02327	0.5
113.09610	2.3
113.27056	0.3
121.75189	0.3
122.97523	0.3
134.03604	0.4
134.97447	0.4
135.04385	0.3
152.98532	0.5
152.99519	2.9
156.01686	0.3
156.03546	0.3
164.98563	0.6
168.04248	2.4
173.04491	3.7
177.12762	0.4
179.14334	1.6
181.12292	0.4
191.05540	0.9
195.13835	21.0
196.14182	1.1
209.11693	0.5
210.71924	0.3
224.06897	1.3
225.00662	0.9
225.11382	0.3
242.07921	4.2
249.43243	0.3
251.23799	0.5
275.09412	0.5
277.21713	17.4
278.22083	1.7
295.22763	100.0
296.23126	8.7
326.61780	0.3
449.14352	0.9
449.23291	1.4
464.19037	0.3
520.30426	63.5
521.30768	8.7
521.38263	0.6
533.01086	0.3
535.26294	0.3
594.26642	5.3
595.27252	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	594.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.3
59.01251	1.9
61.98702	0.3
62.96278	0.3
67.01757	0.5
70.97905	0.4
70.98241	0.4
71.01256	0.6
71.04890	0.6
73.02818	0.3
78.95776	100.0
83.04909	0.6
85.02822	1.4
87.00740	1.9
93.03343	3.3
96.96838	8.5
97.06454	0.4
101.02325	0.4
111.04395	0.7
113.02326	0.2
113.09589	0.2
122.98425	0.7
127.11140	0.7
129.01819	0.3
133.02838	0.4
135.04439	0.4
137.02309	0.3
139.67369	0.2
140.01071	0.4
150.01537	0.2
152.99487	14.7
155.03401	0.4
158.03540	0.2
160.79544	0.2
165.12761	0.7
168.13864	1.2
171.00554	19.1
172.00882	0.3
172.05219	0.3
173.04463	5.2
173.05971	0.3
177.01816	0.3
179.03432	0.3
186.06775	0.6
187.07553	0.9
191.01883	0.4
191.05554	4.3
194.05853	0.9
201.05423	0.4
207.04889	0.4
209.11789	0.8
211.07541	0.4
211.17017	0.2
214.04558	0.3
214.06271	0.8
215.07092	0.7
227.12891	1.0
229.08656	0.6
230.09401	0.5
238.08417	0.3
244.47723	0.2
257.17581	0.9
268.09543	3.3
274.08450	0.4
303.39313	0.2
312.12082	0.8
327.16113	0.3
366.16690	0.8
371.14960	0.8
389.16006	1.2
403.17603	0.3
496.23059	0.6
520.26691	0.3
545.20605	0.3
563.21594	0.5
577.22595	0.7
594.30450	54.0
595.31000	9.0
609.69672	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	594.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.7
62.96285	0.5
67.01783	0.2
70.13309	0.7
70.13701	0.4
71.01239	0.3
78.36957	0.2
78.95774	100.0
85.02822	0.5
87.00747	1.0
93.03339	2.5
96.96836	9.4
98.19820	0.3
111.04373	0.5
122.98412	0.7
127.03978	0.2
127.11198	0.3
134.05989	0.3
138.32820	0.2
140.01114	0.7
152.99489	17.8
153.99765	0.3
155.03395	0.4
162.70895	0.2
163.03813	0.2
168.13861	1.3
171.00554	21.1
172.00912	0.6
173.04483	2.7
173.05905	0.2
183.13858	0.5
186.06854	0.4
187.07568	0.9
191.05533	3.2
194.05832	1.1
197.15378	0.2
214.04660	0.4
214.06461	0.4
215.07051	0.9
219.69504	0.2
229.08696	0.6
230.09549	0.2
238.18143	0.8
268.09525	3.8
274.08588	0.3
289.17285	0.2
366.16849	1.5
371.15189	0.6
389.16495	0.3
496.23276	0.4
520.26801	0.6
532.30731	0.6
534.28424	0.8
537.88898	0.2
576.29144	0.3
577.23035	1.1
594.30450	54.5
595.23584	0.4
595.30865	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	594.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.6
57.19030	0.5
59.01249	46.5
61.98699	11.9
69.22385	0.6
70.42506	1.4
70.42871	1.0
71.01255	3.2
71.04884	0.7
72.99165	0.7
73.02805	1.4
75.00758	0.7
83.01270	0.7
85.01207	0.6
85.02840	2.8
87.00755	2.7
93.03336	4.6
94.06500	1.0
96.95885	2.0
98.19937	0.8
101.02341	0.7
103.00349	0.7
106.06503	8.1
108.02018	0.7
108.04450	1.2
109.02827	1.3
111.04373	1.3
118.97952	0.6
119.04901	0.9
121.02830	0.7
122.06019	7.1
125.02316	0.6
129.01851	1.0
132.04431	1.6
134.06013	32.3
135.04422	3.1
135.06317	1.0
136.04752	1.1
136.07524	0.7
137.02310	1.2
146.06033	1.1
147.03409	0.5
150.03113	1.2
152.07082	3.8
153.01935	0.9
161.06020	0.6
162.05490	0.8
163.03889	1.3
167.03447	0.7
173.04471	4.6
179.03424	0.9
180.06575	1.1
191.05556	10.7
194.08154	2.1
199.08772	0.8
204.54355	0.6
211.08679	0.7
212.10750	12.7
213.10391	2.2
221.08134	0.7
224.10812	1.4
225.06677	1.4
226.07402	2.1
237.06683	1.2
237.10390	0.6
238.12396	1.3
239.08200	3.5
239.11961	1.2
240.08942	2.5
241.09602	0.8
249.10324	0.6
250.08685	0.8
251.08200	2.2
252.08994	5.9
253.09671	2.6
254.10460	0.8
255.11369	37.9
256.11728	3.7
265.09738	1.9
266.10574	0.7
267.11374	33.8
268.11838	3.2
279.11319	1.4
281.09384	1.9
281.12943	6.9
283.13446	1.0
299.10355	4.0
307.10754	0.8
311.13071	0.9
327.15814	0.8
331.18182	0.9
344.14166	1.2
358.15768	0.8
359.18201	1.0
365.08215	0.6
371.15042	2.7
372.13498	1.5
373.26007	0.8
374.18716	5.1
375.19092	1.2
385.16479	1.2
387.15808	1.4
389.25592	1.0
402.18216	18.8
403.18521	3.4
418.17642	1.2
420.19351	0.8
428.16104	1.7
446.17166	12.5
447.17410	1.4
462.20303	9.9
463.20880	2.0
464.18185	1.6
478.19958	0.8
506.19299	100.0
507.19690	14.1
550.17981	2.0
551.30475	0.9
577.22479	0.7
594.38678	4.1
595.23901	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	593.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47512	0.5
55.01765	0.7
57.03309	1.9
59.01249	24.3
60.01575	0.6
61.98691	1.9
67.01746	1.1
69.03354	0.6
70.74504	0.4
71.01256	6.2
71.04858	0.6
71.52013	0.9
72.99167	3.3
73.02824	2.2
74.02335	0.5
74.81327	0.5
75.00745	1.6
78.95774	100.0
79.95614	0.5
81.03335	0.9
83.01273	0.8
83.04909	1.1
85.02817	6.1
87.00751	4.9
87.95574	0.5
89.02317	1.5
93.03330	6.2
94.03669	0.7
96.95854	1.4
96.96842	8.6
97.02852	0.6
97.06482	0.5
99.00744	0.8
99.04376	0.7
101.02317	3.8
108.02039	0.9
109.02827	3.5
111.00751	0.7
111.04424	1.2
111.08102	0.6
113.02328	2.2
119.04945	2.7
122.05974	0.6
122.98384	0.6
125.02296	1.0
127.03890	1.8
127.11140	1.0
129.01831	1.3
133.02798	2.5
134.03633	1.3
135.04416	6.3
136.04727	0.6
137.02359	2.3
137.06049	0.6
143.03389	1.1
145.02849	0.6
147.03084	0.4
147.04393	1.1
151.13544	0.5
152.99483	17.4
153.88942	0.5
155.10687	0.8
158.03658	0.7
159.04472	1.0
161.02376	1.0
163.03914	1.5
165.12746	0.6
168.13873	1.2
171.00549	19.3
171.02785	0.8
171.10242	0.8
172.05167	0.6
173.02473	0.5
173.02977	0.8
173.04491	9.1
173.05972	1.1
174.04788	0.9
174.06725	0.8
175.03900	1.0
177.01860	1.9
178.02591	1.0
179.03392	4.2
180.03842	0.6
181.05034	1.7
186.06758	1.2
187.03896	1.2
187.07599	1.3
189.03941	3.6
191.01849	0.6
191.03703	0.9
191.05530	13.9
192.05829	0.9
194.05771	0.9
200.04749	1.1
201.05563	1.0
201.11253	0.9
202.06361	0.5
203.07048	0.6
207.05009	6.9
209.11768	1.6
211.07561	0.8
211.13365	0.7
214.06229	1.8
215.07063	1.0
227.12828	1.1
229.08609	2.3
230.09279	0.5
231.06538	0.5
248.06830	1.8
255.02988	1.3
257.17651	0.9
268.09564	3.6
271.02399	1.1
274.08472	0.7
284.03247	1.4
311.12939	0.5
312.12375	0.8
327.15997	0.6
331.43201	0.6
345.30225	1.5
351.07230	0.6
366.17017	0.9
371.15253	2.6
372.15161	0.7
372.28409	0.6
375.12735	0.6
403.18015	0.7
431.27936	0.7
458.94431	0.5
489.34256	5.5
490.34418	1.1
507.35187	1.2
593.15643	1.0
593.22638	1.6
593.30444	3.9
593.41748	3.6
594.30475	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96110	0.4
55.01744	0.5
57.03322	1.2
58.00454	0.5
59.01250	36.4
61.98696	1.5
62.96306	0.5
67.01741	0.5
69.03324	0.5
69.82383	2.3
71.01251	6.1
71.04867	0.7
72.99176	3.8
73.02818	2.1
75.00741	1.0
78.95775	100.0
81.03330	0.9
83.01258	1.5
83.04921	0.6
85.02817	5.5
87.00744	3.5
89.02302	1.1
93.03342	4.4
95.01257	1.0
96.95912	0.8
96.96841	9.2
97.02823	0.8
99.00737	0.8
99.04397	0.6
101.02327	5.1
109.02814	3.0
111.04394	1.3
113.02335	3.4
119.04904	0.8
122.98436	0.7
125.02338	1.0
127.03899	1.7
127.11242	0.6
129.01848	0.9
133.02852	1.9
135.04408	4.0
137.02357	1.2
143.03436	1.2
147.04399	0.7
152.99490	17.0
155.03349	0.7
161.02330	0.6
161.04460	0.9
163.03888	1.3
165.05449	0.5
165.12753	0.6
168.13835	1.3
168.51929	0.5
171.00563	19.3
173.04494	7.4
173.05885	0.7
175.07539	0.6
177.01894	1.8
177.05611	0.5
178.02544	0.8
179.03461	3.2
185.46741	0.6
186.06725	0.6
189.04005	2.9
191.05536	8.7
193.08540	0.5
194.05763	1.1
201.05525	1.0
207.05016	6.7
209.11710	0.9
211.13324	0.8
214.06308	1.5
215.07167	0.7
216.04141	0.5
219.02985	0.7
227.12738	1.2
229.08662	0.9
246.05328	0.6
247.06194	0.6
248.06870	2.9
257.17566	0.6
258.03223	0.5
268.09546	2.9
284.03152	0.7
285.04022	0.6
299.25934	0.8
307.11710	0.7
345.29984	2.5
371.14938	1.2
489.34314	11.5
490.34760	1.6
496.23138	0.6
504.14801	0.6
507.35440	5.8
508.35428	0.8
561.19739	0.8
593.22058	1.4
593.30017	1.0
594.30444	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.5
59.01249	100.0
60.01593	1.7
61.98690	3.1
62.18769	1.7
62.99667	1.9
67.01757	2.2
69.03321	3.3
69.24991	21.4
71.01251	24.2
72.60982	1.9
72.99162	10.0
73.02815	11.1
78.95777	29.8
81.03338	3.1
83.01247	5.5
83.04917	2.6
83.40279	2.0
85.02821	23.1
87.00746	14.0
89.02299	3.7
93.03334	15.0
93.88530	2.0
95.01262	5.6
96.95876	4.1
96.96805	2.4
98.19710	4.0
99.00754	3.0
101.02317	20.6
108.02034	3.1
109.02834	20.3
109.06414	2.7
111.04385	4.2
113.02324	10.3
118.98088	1.9
119.04897	6.1
121.02846	7.3
125.02301	3.9
127.03892	6.2
129.01822	4.4
133.02829	4.6
134.03644	2.6
135.04431	23.8
137.02299	5.7
137.05975	21.8
143.03407	5.6
152.99486	5.8
155.03337	3.9
157.12169	1.9
161.02306	3.3
161.04512	2.5
171.00549	5.3
173.02269	2.8
173.04483	24.1
173.05859	3.1
177.01842	4.2
178.02631	3.1
179.03455	11.1
180.09575	2.2
181.04982	70.3
187.07491	6.4
189.03966	20.2
191.05547	23.9
201.05467	3.8
201.09134	2.3
202.06471	2.0
207.05042	38.4
209.11786	3.6
211.13290	2.3
214.06288	4.6
215.07080	3.9
227.03479	2.1
229.08574	5.0
233.60991	2.0
248.06784	4.7
255.02936	2.9
267.15869	2.2
284.03278	3.4
302.98987	2.2
307.11865	3.3
343.10019	3.2
345.30069	3.8
371.14957	4.2
375.12469	2.7
390.62469	2.1
403.17734	1.9
419.11786	3.8
489.34207	27.9
490.34225	4.0
496.15436	3.1
507.35437	12.0
533.33112	6.6
561.19598	3.7
593.22363	13.8
594.31323	11.6
623.91473	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	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24015	0.4
59.01256	1.0
62.96286	0.6
70.92392	1.2
71.01244	0.7
72.49158	0.5
75.00735	1.7
78.95773	76.8
80.91555	0.7
80.96398	0.6
95.48384	0.5
96.95876	0.7
96.96838	18.0
134.98441	0.6
150.97934	1.3
152.67270	0.5
152.99487	70.0
171.00594	1.0
178.91451	0.6
222.99995	2.5
241.01143	35.5
259.02216	0.7
275.20151	0.8
277.21707	57.0
278.22040	5.4
315.04910	10.8
333.05820	0.6
350.06241	0.6
379.80783	0.6
389.18661	0.6
413.21005	7.6
414.21246	0.7
460.41837	0.6
559.17999	0.6
593.27289	100.0
594.27686	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	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.8
63.72975	0.7
63.89888	0.7
66.57781	0.6
69.37820	3.5
69.38241	2.7
77.00793	0.6
78.95776	73.9
86.41164	0.8
87.43597	0.6
89.50400	0.7
96.95899	0.9
96.96844	14.1
152.99490	100.0
153.99738	0.8
171.00560	3.0
223.00099	11.7
228.07758	0.6
241.01147	26.0
242.01474	1.2
259.02185	2.3
268.58420	0.7
277.21729	45.5
278.22009	3.0
315.04849	16.6
333.06006	1.2
593.27313	76.2
594.27728	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	593.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14454	0.3
55.19329	0.4
59.01250	7.0
61.98697	0.4
63.96121	0.5
69.03326	0.5
70.33279	0.3
71.01250	6.7
71.21216	0.8
72.88909	0.3
73.02804	1.3
73.41240	0.3
73.93189	0.4
78.98456	4.6
79.95605	29.0
80.96391	50.4
81.03324	0.5
83.01254	0.6
85.02813	2.3
87.00776	2.1
94.97957	11.3
96.95863	1.8
97.02821	1.0
99.00744	0.7
101.02326	2.3
106.97965	2.6
111.94603	0.3
113.02299	0.6
113.28525	0.3
117.23077	0.3
122.97473	4.8
125.02328	2.7
127.03874	0.6
134.97472	3.3
136.99034	1.7
137.02213	0.4
146.21748	0.3
148.99048	4.8
152.98544	6.1
160.99120	0.3
161.02292	0.4
161.04454	0.9
164.98541	8.5
167.00070	0.6
182.99666	1.9
191.05624	0.4
206.99612	3.4
207.05051	0.4
225.00694	17.3
226.01053	0.5
226.18819	0.4
241.00070	0.8
243.01747	1.9
263.19778	0.4
293.21320	0.5
299.04459	3.6
315.03937	0.6
371.06458	1.1
385.07874	0.9
399.09625	1.3
413.11099	1.2
427.12970	0.6
441.14124	0.4
455.15869	1.3
481.17230	0.4
495.18945	1.8
523.18591	1.1
524.19391	0.8
530.57135	0.4
593.26324	100.0
594.26685	15.1
597.24371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.0
59.36964	0.4
62.96306	0.4
63.49449	0.4
70.86726	0.9
78.95773	71.0
96.35247	0.4
96.96837	12.7
105.78876	0.4
122.49547	0.4
137.15355	0.4
146.23978	0.4
150.97940	1.1
152.99486	100.0
153.99826	1.5
171.00554	3.0
223.00096	11.0
224.72105	0.4
233.22743	0.6
241.01144	25.2
242.01492	0.6
259.02274	2.2
277.21719	42.6
278.21948	3.7
315.04865	19.1
316.05212	1.0
333.05984	1.4
373.58258	0.5
384.55688	0.4
593.27283	78.9
594.27582	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	593.2636
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
50.44321	0.3
55.93702	0.4
57.03288	0.4
59.01245	1.2
63.96101	0.8
66.71472	0.3
69.03304	0.5
70.36004	0.3
70.64040	0.5
70.64371	0.8
71.01257	5.9
73.02815	1.0
78.98470	4.8
79.95246	0.7
79.95606	33.0
80.96390	55.3
81.03352	0.9
82.95958	0.6
85.02819	2.6
87.00739	1.9
94.97958	13.4
94.98569	0.7
95.01285	0.5
96.95901	0.6
97.02834	1.1
99.00755	0.6
101.02327	3.1
101.83150	0.3
106.97966	2.7
109.09221	0.4
113.54987	0.3
122.97475	5.1
125.02348	2.5
127.03882	1.1
134.97466	3.5
136.99059	1.5
146.97488	0.5
148.99033	5.4
152.98541	6.4
161.04434	0.8
164.98541	9.1
167.00124	0.5
179.00095	0.7
182.99623	2.2
195.13754	0.5
206.99614	3.2
207.05077	0.4
223.13348	0.5
225.00697	19.4
226.00945	0.7
241.00226	1.3
243.01740	2.1
275.19974	0.4
287.90146	0.3
293.21356	0.4
299.04419	3.9
315.04175	0.7
317.05551	0.4
371.06381	1.5
385.08020	0.7
399.09604	1.8
413.11386	1.1
427.13037	0.8
441.14386	0.7
455.16019	2.2
481.17523	0.8
495.19318	2.2
523.18640	1.1
524.19330	0.8
556.80908	0.4
593.26337	100.0
594.26715	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	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01237	0.9
87.35962	0.6
93.03302	0.8
101.96691	0.5
107.01254	1.9
125.02351	0.6
132.02081	0.8
135.00745	0.6
151.00304	2.7
159.04474	0.6
163.00237	1.6
178.99771	0.6
183.04460	0.9
187.03873	1.2
197.78317	0.6
199.03862	1.0
211.03896	2.4
213.05490	1.1
227.03445	28.5
228.03859	1.3
229.05055	5.0
239.03516	1.1
241.04857	1.0
255.02966	61.3
256.03537	8.1
257.04480	3.6
267.02991	0.6
283.02408	1.0
284.03247	100.0
285.03943	41.7
286.04388	3.3
327.05026	0.9
396.00452	0.7
428.34048	0.6
593.15112	70.3
594.15436	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	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
63.02261	0.4
65.00199	0.7
69.85526	1.2
79.01597	0.2
79.19831	0.2
79.70267	0.2
83.01268	0.7
93.03339	0.8
95.01254	0.3
97.08813	0.3
105.30640	0.3
107.01256	1.8
108.02110	0.3
109.02816	0.3
117.03362	0.2
130.14133	0.3
132.02054	1.6
135.00754	1.2
137.02249	0.3
143.04935	0.3
144.94806	0.2
151.00284	2.8
152.00957	0.4
157.06497	0.3
159.04411	0.5
162.99142	0.3
163.00288	1.6
164.01057	0.5
169.01300	0.3
169.06471	0.5
171.04382	0.3
178.99754	1.2
183.04416	1.2
185.02354	0.3
185.06012	0.9
187.03897	1.2
189.05478	1.3
195.04509	0.4
197.06047	0.4
199.03931	1.0
200.04665	0.4
201.05525	0.3
207.06635	0.2
211.03972	1.7
212.04791	0.3
213.01962	0.4
213.05495	0.4
227.03450	41.4
228.03838	3.0
229.04999	3.3
239.03470	0.9
241.05168	0.5
255.02971	75.4
256.03464	8.3
257.04550	3.1
263.27057	0.3
283.02417	1.4
284.03256	100.0
285.03931	27.2
286.04413	1.7
327.04944	0.4
429.08163	1.1
447.09088	0.3
450.16003	0.3
593.15094	53.5
594.15399	8.4
596.62201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.8
68.33959	0.6
73.02814	1.6
80.59554	0.6
81.57133	0.7
83.01257	1.3
85.02822	1.5
87.00750	0.9
89.02302	2.5
93.03328	1.1
96.95878	12.3
99.13457	0.7
101.02318	1.6
106.88560	0.7
107.01260	2.1
108.55717	0.6
109.02836	0.7
109.53695	0.6
113.02348	1.8
117.64451	0.6
132.02054	1.1
134.03577	0.7
135.00737	1.0
135.04425	0.7
151.00237	3.5
154.03815	0.7
163.00214	0.6
169.01341	0.8
173.04440	2.0
178.99754	2.3
183.04416	1.2
187.03943	1.3
189.05446	1.2
191.05507	3.2
193.04924	0.9
199.03903	0.8
200.04657	0.7
205.08572	0.6
207.05035	1.4
211.03967	2.2
213.05559	0.9
217.36105	0.6
227.03435	38.2
228.03856	3.4
229.04991	3.8
229.75966	0.9
239.03516	1.2
240.03796	0.7
241.05141	1.2
255.02951	67.9
256.03464	8.1
257.04410	4.5
283.02466	1.5
284.03244	100.0
285.03955	44.3
286.04410	2.8
359.14984	3.6
429.08289	1.6
533.29553	1.1
549.28882	2.0
580.57855	0.7
589.83154	0.8
593.15088	69.4
593.23352	2.4
594.15381	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	593.1303
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
57.03299	0.8
58.00474	0.6
58.67507	0.5
59.01252	9.6
59.80334	0.5
61.98705	1.1
63.02290	1.0
65.00193	1.3
67.01759	0.7
69.03304	0.7
69.99595	0.5
71.01247	4.6
72.99171	1.9
73.02821	2.0
74.02390	0.6
75.00746	2.1
78.95774	10.1
81.03308	1.0
83.01250	2.1
85.02829	3.1
87.00756	3.8
87.09787	0.6
89.02304	1.2
89.72060	0.5
91.01805	0.8
93.03341	5.5
96.95878	3.9
96.96841	0.8
98.20559	1.5
99.00716	0.6
99.04405	0.9
101.02330	2.6
105.10588	0.5
107.01279	3.2
108.02036	0.9
109.02855	1.7
111.04406	1.4
112.25536	0.5
113.02326	0.9
117.03337	5.0
118.04261	0.5
119.04915	9.5
121.02853	1.0
123.04425	1.3
125.02326	0.9
127.03856	1.1
132.02075	1.9
135.00763	1.7
135.04399	4.2
136.04713	0.8
137.02365	1.5
143.04813	0.6
145.02853	17.9
145.06528	0.7
151.00262	5.7
152.99516	2.6
153.01971	0.6
155.10689	1.5
158.03604	0.7
159.04439	2.1
161.02301	0.8
161.04680	0.6
163.00284	2.6
163.03903	8.7
163.56059	0.5
164.01045	1.1
164.04349	0.6
167.04973	0.8
169.01385	1.0
169.06470	0.8
171.00539	1.5
171.04366	1.3
173.04456	7.2
173.05865	1.0
174.03192	0.6
175.03914	1.0
176.01028	0.5
177.01862	1.1
178.02641	0.6
178.99809	0.8
179.03409	1.6
180.03731	0.6
181.04993	1.9
182.03636	0.6
183.04440	0.8
185.05975	1.5
186.06732	1.8
187.03894	3.7
187.07506	0.8
188.32622	0.5
189.03957	0.8
189.05482	1.1
191.03712	1.0
191.05537	14.5
197.05855	0.8
199.03934	1.2
200.04779	0.7
201.05446	1.4
201.11147	0.5
205.04965	0.6
205.49268	0.5
207.05008	3.4
209.11812	0.5
211.03958	3.8
211.07442	0.7
212.04594	1.2
213.05455	1.9
214.06171	0.7
227.03445	44.5
228.03821	3.1
229.05019	7.4
229.08548	1.0
229.78859	0.5
230.09233	0.6
239.03481	1.3
240.04118	0.8
241.04984	1.8
243.06512	0.6
249.06078	0.6
255.02962	80.0
256.03552	10.8
257.04572	5.3
258.04922	0.8
283.02457	1.0
284.03256	98.8
285.04016	93.7
286.04343	5.9
307.08289	3.2
327.05167	0.8
371.15280	1.2
371.24173	0.7
375.18439	0.9
403.17776	0.8
447.09271	6.1
533.29816	1.0
592.28931	4.1
593.13013	100.0
593.29199	2.7
594.13367	15.6
594.21033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61173	0.1
59.01247	0.6
60.36872	0.1
61.91446	0.2
65.06744	0.2
69.55380	0.1
69.93125	0.8
71.01248	0.4
71.56631	0.2
76.03089	0.2
77.03870	0.2
78.98466	0.2
79.95610	0.5
80.96387	2.7
91.01782	0.2
93.03327	0.3
94.97961	0.6
96.95879	0.2
120.02079	0.5
121.02840	100.0
122.03162	3.5
122.97465	0.2
125.02356	0.2
134.97429	0.2
136.01570	0.3
148.99042	0.3
152.98546	0.3
164.98569	0.5
165.01843	4.3
166.02162	0.2
171.10127	0.2
178.04361	0.2
180.05753	0.5
181.06511	2.7
181.55634	0.2
182.06879	0.2
191.05522	0.2
197.06013	2.3
207.04446	0.7
207.08051	0.3
209.04488	56.6
210.04837	2.8
223.03993	0.2
225.00735	0.7
225.05479	1.5
226.06020	0.2
251.07133	0.3
257.09714	0.6
285.09244	0.2
293.21045	0.2
295.05896	0.2
301.08685	0.3
313.07108	1.7
329.08240	0.2
357.06149	1.2
373.10864	0.2
383.07578	1.1
401.08707	0.4
417.09760	0.9
505.11353	2.6
506.11896	0.4
535.80066	0.2
545.28754	0.2
549.10364	6.3
550.10443	1.0
567.52515	0.2
593.12988	9.1
593.26337	4.1
594.13226	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	592.297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57338	0.2
54.85361	0.2
59.01248	0.9
61.56156	0.2
61.98700	100.0
62.98402	0.3
66.66729	0.2
69.03315	0.3
71.01263	0.8
71.57311	0.2
74.71709	0.2
76.78210	0.2
78.95775	0.3
78.98479	0.5
79.95608	1.0
80.96384	6.0
85.02831	0.4
87.00758	0.4
93.03347	0.5
93.11094	0.2
94.97958	1.4
96.95873	0.3
103.44435	0.2
122.97462	0.4
134.97505	0.4
135.04443	0.5
148.98979	0.4
152.98546	0.7
152.99635	0.3
164.98587	0.9
171.10291	0.3
173.04489	0.6
181.90274	0.2
188.56706	0.2
191.05606	0.5
209.11774	0.6
225.00685	1.2
276.08755	0.2
359.09918	0.3
395.28140	0.5
395.88275	0.3
565.69562	0.3
592.24951	3.9
592.33099	0.3
593.26105	5.4
593.35718	0.3
616.50861	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	592.341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.6
69.27793	3.1
69.28199	0.9
71.53419	0.4
78.95774	43.2
80.35153	0.4
91.02515	0.4
96.96839	7.5
109.46197	0.4
150.97946	1.2
152.99484	100.0
153.99825	1.5
171.00539	3.8
207.10262	0.4
225.11246	0.6
256.07260	0.8
259.47653	0.4
277.21725	0.5
279.23276	59.3
280.23590	4.5
293.21225	0.5
312.09991	1.4
316.60672	0.4
330.11185	0.7
371.17697	0.4
433.23618	14.0
434.23975	1.7
592.34058	10.2
593.16467	0.6
593.35651	1.9
602.48346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59964	1.4
55.82600	1.5
57.03320	3.4
59.01251	100.0
60.30525	1.4
61.98701	6.9
64.88186	1.7
69.03304	1.9
69.32628	14.6
69.54578	1.6
71.01252	22.8
71.04897	1.6
72.00767	1.9
72.99173	2.3
73.02805	5.1
75.00743	3.1
78.95770	10.6
83.01255	4.5
85.02818	13.6
87.00746	4.2
88.85548	1.6
89.02313	5.4
93.03327	6.2
95.01249	3.3
96.95883	3.9
96.96868	2.6
97.02821	2.0
99.00764	2.7
101.02325	14.0
107.04916	2.4
109.02840	2.2
113.02328	12.1
119.04911	11.5
125.02385	2.3
129.01784	2.5
134.03651	3.3
135.03416	3.4
135.04417	57.6
136.04712	3.2
137.02365	2.8
143.03452	2.7
147.04414	3.6
152.00981	2.2
152.99409	2.5
160.55164	1.7
161.04402	3.6
163.03938	7.9
164.07095	5.2
171.10176	5.7
173.04587	7.5
179.03409	36.1
180.06468	2.6
186.18613	1.6
187.31488	1.8
191.05534	15.3
201.11292	5.0
209.11792	2.3
211.13266	2.2
256.08859	1.9
312.88507	1.6
343.28445	2.1
471.89227	1.7
487.32794	26.7
488.33292	2.8
505.34259	7.6
506.34286	2.3
513.30658	1.9
547.23126	3.3
547.30389	10.9
547.51312	1.7
591.26172	6.3
591.33630	10.9
592.28027	6.1
613.18451	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	591.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09053	1.5
57.03332	3.0
59.01249	100.0
61.98701	65.7
62.19414	1.4
70.45168	5.5
71.01256	21.8
72.99195	1.7
73.02824	9.1
78.95779	6.6
79.08628	1.6
81.03347	1.7
83.01250	5.1
83.04810	1.4
85.02834	14.3
87.00764	2.2
89.02332	4.4
93.03345	4.4
96.95900	3.1
97.02846	1.5
97.84784	1.5
97.94424	1.4
99.00765	3.1
101.02321	17.6
111.00696	1.7
113.02342	10.8
119.04951	1.9
121.10105	1.7
124.01527	2.6
133.02882	1.7
133.73560	1.4
135.04417	17.9
137.02335	1.9
143.03426	2.3
161.04477	6.4
163.03992	2.1
171.10222	4.5
173.04449	6.0
179.03419	12.6
185.15471	3.2
191.05521	9.2
192.94667	1.4
201.11209	2.4
202.90746	1.4
216.03262	1.6
296.77136	1.9
343.28705	3.8
347.20755	5.0
353.54767	2.2
395.31110	1.7
487.32764	39.1
487.39658	3.2
488.33084	5.1
505.33899	18.2
518.85638	1.6
524.64667	1.9
547.31616	6.0
591.24945	3.6
591.33795	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	591.2481
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
57.03311	1.4
59.01247	7.6
61.98703	8.1
63.96119	0.7
66.92268	0.6
69.03335	0.8
69.52231	3.8
71.01255	8.7
73.02812	1.7
78.95776	3.9
78.98463	7.2
79.95603	12.9
79.96074	0.6
80.96391	73.8
81.03334	1.0
81.51631	0.5
83.01275	0.8
85.02816	2.9
87.00755	3.0
93.03349	0.9
94.97958	17.8
96.95896	1.7
97.02838	1.5
98.19820	0.9
99.00774	0.7
99.86301	0.5
101.02325	3.4
106.97952	3.6
113.09597	4.4
122.97477	5.2
125.02337	3.5
127.03862	1.0
134.97462	5.0
135.04443	1.0
136.99048	1.7
146.97423	0.7
148.99051	6.1
152.98528	7.2
152.99631	0.8
160.05321	0.5
161.01254	0.5
164.98546	10.7
171.10210	1.3
173.04453	1.4
177.12820	0.7
182.99564	2.4
185.11862	1.2
191.05643	0.9
201.11272	0.7
206.99730	2.8
209.11752	0.6
225.00696	16.4
226.01212	0.8
242.07895	0.8
243.01791	1.8
253.09364	0.6
271.70410	0.5
291.19711	2.0
293.21216	23.6
299.04419	3.5
307.22812	3.4
325.20212	0.5
330.56384	0.6
518.28888	9.5
532.30518	2.4
591.24792	100.0
592.25128	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	591.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69986	0.5
57.03313	0.5
59.01250	14.5
61.98701	10.2
71.01254	3.2
73.02815	1.6
78.95777	2.1
83.01244	1.1
85.02831	2.3
87.00739	1.0
93.03324	1.9
95.58022	0.6
96.95876	0.8
101.02322	2.0
107.04893	1.2
111.00703	0.5
113.02306	1.6
119.04894	0.7
133.02855	0.9
134.03648	2.9
135.04408	94.7
136.04729	3.7
143.03322	0.7
148.38568	0.5
150.03142	0.6
150.92815	0.5
152.99486	0.7
161.02307	0.8
161.04407	0.7
163.03844	0.7
171.10211	0.8
173.04472	1.4
173.31175	0.5
178.02617	0.9
179.03413	100.0
180.03743	5.2
191.05510	3.0
323.07614	1.3
341.08670	1.3
432.92493	0.6
487.32816	3.7
505.34033	1.4
547.31262	2.3
591.24438	21.2
591.33282	1.2
592.23926	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	591.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01249	10.8
59.83104	0.5
61.98706	0.7
62.02895	0.5
69.38385	0.5
71.01259	3.5
71.58256	0.8
72.99185	0.7
73.02802	1.5
74.02325	0.9
78.95773	12.4
81.00934	0.5
83.01239	1.1
83.04893	1.2
85.02823	3.4
87.00751	1.4
89.02301	0.9
93.03331	4.0
96.95875	2.2
96.96861	1.0
99.04379	0.6
101.02321	2.6
109.02809	0.6
111.04407	0.6
113.02308	1.2
113.76946	0.5
116.04950	0.6
119.04928	3.0
124.01547	0.7
125.02288	0.7
133.02826	1.1
134.03590	1.1
135.03404	1.0
135.04411	20.2
135.76434	0.5
136.04732	0.9
137.02312	1.2
139.07550	0.5
147.04340	0.5
149.00206	0.5
151.00235	1.3
152.01114	0.6
152.99493	3.0
154.22452	0.5
158.03650	2.1
161.02345	2.6
163.03888	2.3
163.86218	0.5
170.03583	0.6
171.00554	2.1
171.10170	3.3
172.01581	0.8
173.04475	2.9
177.01852	1.8
178.99854	0.8
179.03424	17.5
180.03711	0.6
186.03151	7.5
187.03563	0.6
189.01810	1.4
191.05501	5.5
191.07115	0.7
198.03131	2.0
201.11229	2.3
207.04927	0.5
209.11621	0.6
210.71922	0.6
213.01924	0.9
214.02655	20.9
215.02979	1.9
216.00636	1.2
217.01283	1.2
218.02156	1.0
225.05478	0.6
226.02608	1.1
241.01378	24.7
242.02148	44.9
243.02573	4.6
245.00871	20.9
245.03450	0.9
246.01314	1.4
253.09203	0.6
255.03122	0.9
268.11469	0.7
270.01682	55.8
271.02316	10.5
272.03070	0.6
273.00397	1.6
277.78781	0.6
281.04462	0.6
298.01187	25.2
299.01846	8.0
300.02634	1.2
303.52765	0.5
339.08502	0.7
341.09460	0.6
341.13748	1.2
371.11407	0.7
385.12778	0.8
396.08453	9.7
397.09235	6.3
399.10928	0.7
411.16400	1.3
428.11130	17.5
428.17032	0.8
429.11609	4.6
461.07349	0.6
462.07620	0.9
471.11942	0.7
509.50116	0.7
531.14551	0.7
531.31628	1.1
559.14435	5.9
591.17114	100.0
591.33228	3.1
592.17474	19.5
592.28687	6.7
596.02850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.7
59.01252	17.8
63.02260	2.8
65.00198	3.5
68.63740	0.9
69.65981	5.5
71.01254	7.2
72.99170	1.1
73.02826	4.3
75.00758	0.9
77.30196	0.8
78.95840	1.0
79.95627	0.8
83.01256	6.1
83.04897	0.9
85.02837	3.8
87.00786	2.5
87.04397	1.4
89.02335	3.9
93.03341	3.1
95.01281	2.0
96.95885	13.4
98.02367	1.1
98.19800	1.7
101.02343	5.8
107.01268	9.7
107.04933	0.9
109.02830	1.3
111.00777	1.4
111.04449	1.3
113.02325	2.9
115.00284	0.9
119.04929	0.9
123.00768	1.2
124.01527	6.0
125.02356	5.7
129.10284	0.9
134.03642	1.2
135.04411	4.1
137.02367	1.3
139.00301	0.8
143.03456	0.9
146.08136	0.9
151.00276	27.4
151.03935	1.1
152.01060	12.7
152.99728	0.8
153.01837	2.1
154.01413	1.1
156.43672	0.8
159.04373	1.2
161.04451	1.5
161.05974	1.0
163.00345	1.1
163.03911	1.2
167.03464	1.1
169.01341	6.8
169.02637	1.1
173.04507	2.7
173.06004	3.9
175.03935	1.1
177.01865	1.9
178.99786	33.5
179.03384	2.1
179.05524	1.2
180.00093	1.3
187.03978	1.3
187.07573	1.9
189.05429	2.0
189.09163	0.9
191.04036	1.1
191.05525	6.7
193.01346	1.4
200.04749	1.1
201.05542	1.2
205.01492	1.1
215.07127	5.8
216.07870	2.3
217.08693	1.3
223.13423	1.9
227.03432	2.2
227.07037	2.0
231.10091	1.2
241.08765	1.1
253.05003	3.4
255.03009	2.8
256.03601	1.5
267.06802	1.0
274.08282	1.0
281.04623	1.2
284.03229	3.5
285.03989	2.9
295.05978	1.1
297.07724	2.3
299.02084	1.2
300.02737	3.0
301.03381	1.2
311.01877	7.0
321.04062	1.8
322.04541	1.1
325.03601	2.1
325.07242	2.3
333.07709	6.1
336.06366	2.4
353.06647	91.6
354.06949	9.0
361.07184	13.6
362.07370	1.1
369.09671	6.1
378.07465	2.5
379.08258	12.4
380.08597	2.0
387.10632	1.4
387.23877	3.0
391.27014	2.6
396.08395	2.2
397.09180	10.0
398.09521	1.3
429.11893	2.9
447.09357	4.0
486.62686	1.1
531.27570	1.4
541.13580	1.3
547.27649	4.8
559.14569	100.0
560.14941	15.9
591.17041	20.6
591.30133	2.1
592.17981	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.7
72.99171	0.4
75.00742	16.4
76.01081	1.4
78.95772	48.7
87.44325	0.3
95.96021	0.4
96.96838	8.0
98.20570	0.6
111.95611	0.3
124.99974	0.6
150.97934	1.2
151.01567	0.3
152.99483	100.0
153.99855	2.0
171.00555	3.3
197.11821	0.5
206.46886	0.3
207.10193	0.6
225.11304	0.8
229.66135	0.3
258.08987	0.7
275.20059	0.9
277.21713	44.8
278.22052	3.9
279.23291	10.1
280.23636	1.2
309.20953	0.3
312.10065	1.2
313.10776	0.7
330.11203	1.2
365.50650	0.3
431.21985	11.5
432.22476	1.4
590.32574	9.8
591.33807	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	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16781	0.4
50.77947	0.5
56.15835	0.6
56.31514	0.5
57.03316	3.5
59.01247	16.5
61.98715	0.7
69.30505	1.3
69.30915	4.3
71.01248	3.6
73.02814	1.1
73.73592	0.5
78.95779	0.6
82.70183	0.5
85.02825	1.1
87.00748	0.5
89.02323	3.4
97.06456	0.9
101.02335	3.8
109.06477	0.8
113.02375	1.2
113.09609	11.1
119.03391	1.1
134.54918	0.6
137.35284	0.5
137.59126	0.5
139.11156	1.2
143.10614	0.7
155.10809	0.6
157.00146	0.6
161.04465	1.2
167.10724	1.4
171.10168	2.0
177.74567	0.5
179.05577	0.7
179.10710	1.8
195.13843	2.0
199.09744	0.9
209.11742	0.8
214.94363	0.5
226.80945	0.6
243.00006	0.5
249.22141	1.3
253.09244	16.6
254.09393	1.0
275.20142	2.0
293.21222	100.0
294.21548	9.5
404.17197	0.6
529.30280	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	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	0.4
60.48585	0.2
66.94565	0.2
72.99178	1.5
74.89230	0.2
75.00742	100.0
76.01065	1.2
76.87355	0.2
82.91628	0.2
98.20560	0.4
106.56125	0.2
199.44499	0.2
239.15584	0.2
253.09377	0.2
277.21768	0.4
278.22079	0.2
279.22565	0.2
293.21231	0.5
351.95898	0.2
467.27853	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	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	79.3
61.98706	42.2
70.86878	16.8
71.01250	19.4
75.97176	6.7
78.95747	11.6
89.02328	13.0
96.95881	13.3
101.02325	18.5
109.92998	7.9
161.46593	8.0
171.10133	28.3
191.05690	7.4
209.11731	16.8
235.16917	55.7
253.09262	50.0
255.81438	7.4
275.20157	79.7
276.20694	8.8
293.21198	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	589.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	37.7
62.94304	5.6
71.01272	19.7
71.57424	8.7
73.02834	8.7
80.96389	5.3
83.01270	5.7
85.02815	9.3
89.02339	7.1
96.95885	31.6
98.95471	3.7
101.02326	15.6
107.04903	17.5
110.97722	3.7
111.04359	3.8
113.02320	10.0
116.11697	4.0
121.02814	7.9
123.69122	4.3
134.37210	4.4
135.04382	8.7
150.03172	5.2
151.03760	5.5
161.02583	4.2
161.04504	7.8
173.04457	8.3
178.04073	3.6
179.03410	100.0
180.03726	6.1
191.05537	15.9
229.92953	4.6
528.92426	4.9
589.09772	6.1
589.20740	6.8
589.30072	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	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.4
55.63822	2.0
57.03319	2.0
59.01250	100.0
60.69833	2.4
61.98694	3.9
69.03303	3.0
71.01260	24.8
71.39304	2.2
71.58903	2.3
73.02809	11.5
78.95777	4.2
81.06972	2.1
83.01258	5.0
83.04884	4.6
85.02826	9.2
85.11324	2.2
87.00761	3.9
89.02325	14.1
93.03342	12.0
95.01261	3.1
96.95910	13.6
99.00723	2.9
99.04353	2.2
101.02316	15.8
108.02058	3.5
111.04422	2.7
113.02326	13.8
119.03425	4.8
119.04944	5.1
120.08162	2.0
122.03629	2.3
125.02314	3.5
133.02812	3.5
134.03593	3.9
134.06026	3.7
135.04408	67.9
136.01541	2.0
136.04846	3.5
137.02354	6.5
143.03276	2.2
149.02354	2.3
151.00259	5.0
151.03761	2.5
152.01018	3.5
155.10686	7.6
156.17232	2.2
161.02286	3.2
161.04463	5.2
163.03891	2.6
171.10223	3.0
173.04483	19.5
175.02322	2.5
177.01881	3.3
178.99829	4.0
179.03413	54.2
180.03738	2.3
180.06491	2.1
191.05452	10.4
199.09651	4.1
214.28259	2.3
237.25577	2.2
271.02335	4.6
285.12433	3.6
299.01981	7.8
300.02664	6.6
341.08746	6.6
412.06387	2.3
441.21310	7.2
463.08569	3.7
483.29657	10.3
501.30658	6.5
514.16083	3.2
528.31927	2.8
543.16437	3.0
544.27533	5.6
587.21161	6.0
587.30811	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	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.3
58.00455	1.4
59.01254	100.0
61.98709	2.7
69.25965	3.8
69.26371	13.1
71.01256	26.6
72.01645	1.5
72.99179	2.1
73.02833	10.5
78.95789	1.9
80.96400	3.1
81.03352	1.8
83.01270	3.1
83.04901	2.1
85.02825	11.5
86.76852	1.5
87.00751	3.6
87.04383	2.8
89.02306	8.5
93.03327	5.5
95.01210	2.9
95.04991	1.5
96.95890	6.2
97.06503	2.6
98.95562	1.3
101.02328	18.9
105.41782	1.6
109.02829	2.0
112.04109	1.4
113.02334	13.4
119.03431	3.4
123.04391	2.0
125.02371	3.3
135.04414	4.3
137.02353	2.6
137.09624	2.1
139.07571	2.0
141.11258	1.5
143.03346	2.3
155.10655	2.9
161.04468	4.8
162.53284	1.6
173.04465	4.0
177.01875	2.4
179.03310	3.2
179.05551	1.7
181.12340	2.3
191.05563	7.3
192.02464	1.4
220.44803	1.5
256.93158	1.5
270.77176	1.6
321.43005	1.7
339.30060	1.6
343.21356	1.7
388.94318	1.8
395.24335	1.8
413.25562	2.4
477.80856	1.6
483.29602	12.9
501.31021	8.1
513.26831	4.1
543.67126	1.8
544.27490	9.2
587.13489	2.2
587.31464	7.0
588.29370	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	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08119	1.1
57.03331	1.6
59.01250	100.0
61.98706	4.7
69.03313	1.5
70.30920	5.4
71.01254	19.2
72.99179	1.8
73.02806	11.0
78.95763	1.4
79.95631	1.7
80.96408	2.9
83.01239	4.0
84.41720	1.5
85.02808	8.1
87.00768	3.7
87.04385	3.0
88.22990	1.2
89.02329	8.3
93.03336	5.2
95.01252	1.6
96.95872	9.2
97.06505	2.0
99.00747	2.0
101.02322	10.9
110.67210	1.4
111.00798	1.4
113.02322	17.7
116.32845	1.3
119.03436	3.1
119.04906	2.3
122.06049	2.0
125.02315	1.6
133.02824	2.1
135.04405	5.5
137.02289	5.0
137.09637	3.1
143.03407	2.2
155.10683	8.0
161.04474	5.3
171.10159	1.9
173.04451	5.6
177.01797	2.4
178.99896	1.6
179.03394	4.9
179.05609	1.6
183.10150	1.3
184.81044	1.2
185.61157	1.3
191.05568	7.6
199.09663	4.4
213.71732	1.3
220.03206	1.3
271.35226	1.2
274.44656	1.5
383.98465	1.4
449.14276	1.6
483.29669	18.8
484.29657	4.1
501.30835	4.7
587.14105	1.8
587.30676	15.8
588.31842	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	587.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34200	1.1
57.03314	2.2
59.01247	21.7
61.98690	2.4
70.54812	1.2
71.01254	7.4
76.73035	1.1
83.01276	1.5
85.02827	1.3
87.00751	1.3
89.02332	3.4
101.02312	5.8
113.02342	2.3
121.02844	1.7
121.10152	7.4
125.09618	6.2
143.97820	1.3
147.08047	1.5
161.04495	1.9
171.10207	1.6
185.11697	9.2
186.90598	1.1
197.11755	3.0
204.33893	1.3
209.11710	2.4
209.74695	1.2
220.14648	5.6
221.15453	12.3
236.10442	7.5
253.09270	17.7
270.27115	1.2
291.19653	100.0
292.19986	8.9
293.17609	6.5
527.28766	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	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66294	0.6
59.01250	22.9
61.98697	2.1
71.01252	5.1
71.04890	16.5
71.13403	1.4
73.02818	0.9
78.95779	0.7
83.01257	0.9
85.02818	1.1
87.00731	0.7
89.02330	3.7
93.03328	0.7
96.95879	2.6
97.06464	5.4
101.02316	5.0
109.06475	0.6
113.02313	2.4
119.03370	1.5
125.02359	0.6
161.04482	1.0
171.10165	1.7
173.04523	0.6
178.02499	0.8
179.05585	0.7
181.12224	1.2
187.18996	0.6
191.05559	0.8
193.12196	0.7
195.13828	0.7
197.11832	0.7
207.13811	2.3
209.11786	1.3
219.13828	2.7
235.16998	2.5
247.20711	1.2
248.11539	0.6
253.09256	19.1
254.09470	1.2
273.18701	1.7
291.19650	100.0
292.20010	9.7
325.49347	0.7
356.14871	0.7
458.16959	0.6
527.28577	2.2
535.26898	0.6
538.15698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09632	0.4
59.01254	2.3
61.98670	0.3
71.01260	0.7
71.57608	0.5
71.57990	0.5
73.02828	0.6
73.52284	0.4
79.63570	0.4
79.93462	0.4
79.95604	3.3
87.00798	0.5
89.02347	0.4
96.95890	100.0
101.02328	0.5
136.40543	0.4
153.01855	0.5
166.23196	0.4
175.02466	1.0
177.01924	0.5
177.08684	0.4
190.48663	0.4
191.05536	0.7
218.44131	0.4
227.03394	0.5
255.02965	1.5
284.03156	1.4
380.41278	0.5
383.00699	0.5
489.10443	1.1
587.14661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18919	0.1
59.01247	1.0
61.98730	0.2
69.37984	1.2
71.01243	0.3
73.02819	0.2
79.95609	2.4
83.01301	0.1
85.02827	0.4
87.00753	0.2
89.02293	0.2
93.03308	0.2
96.95885	100.0
97.95842	0.4
98.95499	0.1
101.02327	0.3
112.62978	0.1
113.02292	0.2
114.93251	0.2
118.97943	0.2
121.47620	0.1
135.04387	0.2
137.02313	0.1
173.04440	0.4
191.05534	0.9
207.05075	0.1
338.36057	0.1
373.17917	0.1
443.19101	0.9
444.19485	0.1
481.13812	0.2
483.08292	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77677	1.5
61.85388	1.8
62.45757	2.1
70.43877	7.1
71.01243	8.2
71.46040	1.8
78.98457	6.6
79.95602	9.6
80.96389	61.7
87.00756	2.1
90.02338	2.2
94.97960	13.1
106.98002	2.5
117.59148	1.7
122.97525	2.4
125.02335	3.1
134.97479	6.0
148.99075	4.2
152.98508	5.2
163.32094	2.1
164.98553	8.3
206.99628	2.0
210.77730	1.7
225.00674	17.5
277.97339	1.9
283.26431	2.9
389.20172	2.0
453.13586	2.2
583.31580	100.0
584.32214	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	583.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73958	0.5
55.01743	1.0
56.63811	0.5
57.03325	1.0
58.00466	0.7
58.66190	0.4
59.01253	14.8
61.98705	4.2
70.90825	1.0
70.91158	0.7
71.01253	11.3
72.99164	0.6
73.02818	66.2
74.03139	0.9
79.05408	2.5
81.03330	1.6
83.01260	1.0
85.02825	4.8
87.00728	0.8
89.02310	5.7
93.03329	2.0
95.01266	0.8
95.04888	4.4
96.95889	2.2
97.02837	0.9
97.06463	29.6
98.06778	0.6
99.00758	0.8
100.72443	0.5
101.02331	5.4
108.02066	3.5
109.02856	1.1
109.06481	0.9
110.96069	0.4
111.04372	1.3
113.02334	4.8
115.91991	0.8
116.72021	0.5
119.03394	1.9
119.04874	1.0
119.54977	0.5
121.02856	0.7
121.06512	1.3
123.04405	47.9
124.04744	1.5
125.05987	0.8
131.20518	0.5
135.04428	1.3
135.08060	0.7
136.01488	0.5
136.05173	0.8
137.02328	0.9
137.05969	0.6
138.06776	1.6
139.07521	1.3
140.21420	0.5
141.05470	19.9
143.03421	0.5
149.02327	0.6
149.05994	0.6
150.03154	1.4
151.07541	3.4
152.01042	0.9
152.08307	3.8
153.01831	0.6
153.09114	17.5
154.09492	0.8
155.10675	1.1
159.02782	0.6
161.04486	3.1
163.03911	0.8
163.11317	0.7
165.05470	2.0
171.10223	0.8
173.04478	1.3
179.03424	1.1
179.10670	0.5
180.04187	1.1
189.09096	0.5
190.09894	0.5
191.05508	3.4
195.06599	2.0
197.08192	1.2
199.09686	0.8
205.12292	7.1
205.14095	0.8
215.09248	1.1
223.13347	3.4
223.85117	0.5
385.18665	2.6
523.34735	2.8
526.80292	0.5
535.20569	0.6
565.27240	0.7
583.27588	100.0
584.27972	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	583.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73958	0.5
55.01743	1.0
56.63811	0.5
57.03325	1.0
58.00466	0.7
58.66190	0.4
59.01253	14.8
61.98705	4.2
70.90825	1.0
70.91158	0.7
71.01253	11.3
72.99164	0.6
73.02818	66.2
74.03139	0.9
79.05408	2.5
81.03330	1.6
83.01260	1.0
85.02825	4.8
87.00728	0.8
89.02310	5.7
93.03329	2.0
95.01266	0.8
95.04888	4.4
96.95889	2.2
97.02837	0.9
97.06463	29.6
98.06778	0.6
99.00758	0.8
100.72443	0.5
101.02331	5.4
108.02066	3.5
109.02856	1.1
109.06481	0.9
110.96069	0.4
111.04372	1.3
113.02334	4.8
115.91991	0.8
116.72021	0.5
119.03394	1.9
119.04874	1.0
119.54977	0.5
121.02856	0.7
121.06512	1.3
123.04405	47.9
124.04744	1.5
125.05987	0.8
131.20518	0.5
135.04428	1.3
135.08060	0.7
136.01488	0.5
136.05173	0.8
137.02328	0.9
137.05969	0.6
138.06776	1.6
139.07521	1.3
140.21420	0.5
141.05470	19.9
143.03421	0.5
149.02327	0.6
149.05994	0.6
150.03154	1.4
151.07541	3.4
152.01042	0.9
152.08307	3.8
153.01831	0.6
153.09114	17.5
154.09492	0.8
155.10675	1.1
159.02782	0.6
161.04486	3.1
163.03911	0.8
163.11317	0.7
165.05470	2.0
171.10223	0.8
173.04478	1.3
179.03424	1.1
179.10670	0.5
180.04187	1.1
189.09096	0.5
190.09894	0.5
191.05508	3.4
195.06599	2.0
197.08192	1.2
199.09686	0.8
205.12292	7.1
205.14095	0.8
215.09248	1.1
223.13347	3.4
223.85117	0.5
385.18665	2.6
523.34735	2.8
526.80292	0.5
535.20569	0.6
565.27240	0.7
583.27588	100.0
584.27972	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	583.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.1
57.03309	3.6
59.01252	100.0
61.98703	5.9
69.03339	4.0
71.01256	26.9
71.58144	2.4
71.58620	3.9
73.02823	10.6
78.95777	4.4
81.49763	2.2
83.01270	4.9
85.02828	8.7
87.00755	5.5
89.02316	14.1
93.03324	8.0
96.95876	7.4
98.16693	2.3
99.00790	4.5
101.02322	18.4
105.71098	2.5
109.02891	2.8
111.04379	2.4
113.02327	10.8
119.03368	3.7
119.04893	15.0
122.05984	10.4
125.02351	3.0
133.02838	3.8
134.03616	2.6
135.04390	11.0
137.02310	5.3
137.09584	2.7
152.07094	5.0
161.02313	2.9
161.04437	3.7
163.03896	7.9
173.04471	15.3
175.52646	2.6
177.01726	2.7
179.03319	3.0
191.05504	12.8
209.11778	4.1
229.08727	2.9
251.11864	6.1
285.12454	3.5
335.22202	7.6
416.19775	9.6
453.28381	4.0
486.11166	9.6
509.38104	3.0
539.28455	49.4
540.28424	7.6
583.27344	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	583.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94057	2.2
57.86219	2.3
59.01252	76.2
61.98692	4.9
71.01253	22.1
71.58674	3.8
73.02802	12.6
78.95765	3.6
83.01270	3.7
85.02829	9.1
87.00746	5.0
89.02312	8.5
93.03333	7.0
96.95876	11.4
99.04391	100.0
100.04714	3.6
101.02334	15.7
109.02822	2.8
113.02312	7.6
119.03382	3.8
119.04869	2.9
123.04381	2.7
133.02806	2.4
135.04428	6.9
149.04440	2.3
160.98528	2.2
161.04459	3.5
173.04501	13.6
179.03438	4.2
191.05511	15.3
213.10249	3.4
217.15910	3.5
223.13474	2.5
285.12381	13.6
313.58966	2.2
322.48383	2.5
402.70407	2.4
405.57593	2.3
479.36798	2.7
486.11176	4.7
539.28619	27.4
540.28851	5.5
565.22467	2.7
583.25513	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	583.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.5
59.01250	18.0
61.98700	2.3
69.03323	1.4
71.00888	1.0
71.01256	12.2
73.02822	6.1
78.95768	0.7
80.96370	0.7
81.03327	1.1
83.01251	2.0
83.04881	1.2
85.02816	5.1
87.00762	1.6
87.04372	1.6
89.02308	2.9
93.03323	3.3
95.04909	1.1
96.22401	0.7
96.95883	3.8
99.00769	1.2
99.04385	0.9
101.02325	6.2
109.06506	1.1
111.00825	0.7
111.04370	1.1
113.02364	4.3
119.03442	1.3
119.04895	1.0
119.08477	0.9
121.06519	1.8
122.06078	0.8
123.08025	2.1
133.02850	1.7
135.04399	2.9
135.08038	4.2
137.02338	1.6
137.09619	14.7
151.00259	0.9
152.01027	1.2
152.07042	0.8
153.73010	0.7
155.10690	72.7
156.11005	3.4
158.25282	0.8
161.02339	1.1
169.12209	1.0
173.04518	4.8
174.04794	1.0
177.12857	1.6
178.99817	1.5
179.03421	0.8
181.08583	3.5
191.05510	4.9
193.12329	0.9
195.13811	2.7
199.09712	13.3
207.04967	0.9
209.11845	1.4
211.13394	0.9
213.11324	1.4
221.11787	1.4
229.08540	0.9
239.12856	1.1
241.10756	3.0
262.22220	0.7
285.12454	1.5
327.15955	0.8
367.80954	0.8
401.18201	1.0
486.11407	1.8
489.11520	0.8
523.14801	0.9
539.28540	7.1
540.29150	1.2
583.27576	100.0
584.27850	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	582.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	23.2
70.07072	2.5
75.76006	0.5
78.95774	22.7
89.02456	0.5
121.91444	0.5
152.99501	3.3
168.04201	3.4
211.60074	0.6
224.06886	9.8
242.07928	1.9
244.96762	0.5
258.23386	0.5
283.26398	100.0
284.26721	11.0
319.18842	0.5
366.30804	0.5
475.31415	0.5
488.30667	0.5
508.34039	60.1
509.34402	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	581.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.4
63.96102	0.7
64.96907	0.2
69.03325	0.2
69.50562	0.3
69.50968	1.4
71.01250	3.3
73.02817	1.1
78.98456	2.5
79.95596	4.2
80.96385	32.3
81.03317	0.5
85.02812	1.4
87.00749	1.3
91.03887	0.2
94.97955	6.4
96.95897	0.6
97.02827	0.8
99.00762	0.4
101.02316	1.6
105.43835	0.2
106.97981	1.3
111.83570	0.2
113.02345	0.2
122.97464	2.5
125.02326	1.5
127.03928	0.3
134.97467	2.1
136.99013	0.5
148.99023	2.7
152.98523	3.8
164.98518	5.6
167.00078	0.2
179.00122	0.2
182.52516	0.2
182.99561	1.2
206.99596	1.6
208.91548	0.2
224.11453	0.2
225.00697	9.8
226.01108	0.2
243.01770	0.9
281.24823	1.6
282.25122	0.3
299.04346	1.3
359.04001	0.2
370.02753	0.2
467.06519	0.2
581.29950	100.0
582.30267	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	581.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.3
61.01673	1.1
61.98700	100.0
62.75103	0.6
70.59309	1.8
78.95772	7.1
80.96260	0.8
82.95985	0.6
90.40466	0.6
95.96133	0.8
96.96845	1.3
108.67477	0.7
122.98439	0.6
124.99991	1.1
127.45082	0.6
142.57864	0.6
148.04199	0.6
152.99509	2.6
242.07913	0.8
244.08377	0.7
278.46606	0.7
279.23267	28.2
280.23602	24.0
281.23917	17.2
282.24185	5.9
313.63171	0.6
402.30042	0.8
433.23712	1.0
459.25525	2.4
504.31021	0.8
505.31454	1.8
506.31573	6.0
507.25165	1.2
507.31790	8.6
581.29004	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	581.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21323	4.3
52.70333	3.8
54.95324	3.9
57.03309	4.6
59.01249	48.6
60.03706	4.3
61.98700	6.0
67.01755	6.0
69.03326	8.2
69.25445	30.9
69.25868	13.3
71.01254	24.7
73.02830	5.9
83.04901	6.9
85.02827	18.9
86.23306	4.3
87.00737	9.2
93.03332	41.2
95.35925	4.6
96.95887	10.8
101.02306	7.6
111.04398	11.9
113.02350	7.4
115.95603	4.4
122.05980	14.6
133.02744	5.3
134.03552	5.8
134.06015	8.0
135.04352	4.6
137.02350	8.2
151.00206	4.7
163.11143	4.1
170.50664	4.0
173.04483	100.0
173.05913	6.9
174.04764	5.6
176.69661	4.1
178.99774	5.0
187.07541	12.2
191.05528	61.5
191.37614	4.8
193.12187	4.7
197.11676	10.3
201.05501	27.2
201.09172	11.3
203.07001	5.0
205.08708	5.1
209.11746	15.4
210.12254	6.0
215.07111	5.9
229.08690	18.5
230.09348	20.0
233.08110	12.7
247.09665	5.3
251.09352	9.1
251.11835	7.5
253.09268	12.9
263.11829	4.6
273.07776	5.6
309.20694	30.1
327.15900	7.6
327.19724	4.5
345.20792	9.1
357.10815	6.2
363.21768	15.1
371.14902	13.9
386.17593	4.1
398.18530	12.4
407.11505	4.4
458.21213	10.2
473.96841	4.3
521.25610	8.2
563.20746	7.8
581.29395	37.8
582.28577	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	581.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	67.8
61.11139	15.7
71.58089	26.7
78.95782	28.7
89.12901	16.4
96.95879	100.0
97.54351	16.1
98.63609	17.1
150.20210	16.1
173.04459	53.4
191.05553	24.7
216.24709	15.5
306.66623	15.6
309.20724	33.9
342.60117	17.7
376.76718	19.4
447.13321	28.6
448.12576	18.6
452.98892	19.3
581.28387	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51998	6.6
55.15546	5.7
57.56342	6.9
57.71483	7.0
59.01257	58.3
61.98708	11.0
66.16255	6.2
67.01737	7.8
68.21262	6.1
70.85923	6.5
71.01244	16.6
71.57647	8.7
71.58035	8.0
72.99169	5.9
76.38718	6.5
78.95778	17.1
85.02824	13.3
85.39022	6.5
87.00732	11.4
89.02327	14.5
93.03328	42.0
96.95870	18.3
101.02321	9.4
130.82220	8.4
135.04395	13.3
137.02365	8.6
155.03400	8.5
162.06558	7.1
173.04439	100.0
173.05830	12.4
181.14655	8.0
187.07510	8.7
191.05528	59.7
197.11710	13.6
201.05531	24.1
201.09117	8.8
215.06987	7.2
221.20361	7.1
229.08682	27.6
230.09482	18.2
253.09265	34.8
274.08395	11.5
275.31863	8.2
309.20663	26.3
371.14929	9.5
545.29852	8.0
581.27435	39.5
582.27905	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	581.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.4
58.00458	0.9
59.01248	9.4
61.98697	1.8
67.01772	1.5
69.03299	0.6
71.01251	4.4
73.02809	4.2
81.03316	0.7
82.17236	0.5
84.76057	0.5
85.02817	5.8
87.00761	1.9
87.04394	7.8
92.96632	0.5
93.03336	7.5
93.06995	0.6
96.95882	0.8
97.02814	1.2
101.02313	8.4
102.02586	0.6
109.02860	0.8
110.82683	0.5
111.04402	1.8
113.02333	1.3
120.99524	1.2
121.06431	0.6
123.08031	0.5
125.02383	0.7
131.03442	0.8
133.02939	1.2
134.03613	2.4
134.06027	0.6
135.04393	1.8
135.08060	1.5
137.02316	2.5
137.09615	19.1
138.09996	0.6
139.11157	1.7
151.11223	1.0
154.67729	0.6
155.03470	0.9
155.10680	100.0
156.11021	4.2
159.08083	1.1
161.04460	0.9
167.10681	0.6
169.12186	4.5
173.03067	1.0
173.04468	12.7
175.03827	0.8
175.11180	19.9
176.11533	1.2
178.02644	0.6
179.03436	1.1
181.08598	5.0
187.07530	0.9
191.05530	11.4
191.07126	1.0
193.12343	0.6
199.09685	89.9
200.10022	4.8
203.07091	1.7
209.11900	0.6
211.13321	1.9
213.11252	4.6
214.06265	0.6
214.11771	0.7
219.09895	0.6
232.07379	1.9
233.08176	1.1
241.10757	20.0
242.11159	1.3
247.09752	1.3
248.10440	1.1
271.11908	7.2
297.12299	0.9
299.28986	0.6
301.12912	25.0
302.13260	2.2
327.15997	1.1
331.13937	0.6
343.13861	0.7
345.17148	2.8
361.14993	28.3
362.15466	2.0
371.15100	1.3
389.16052	2.2
407.17175	1.2
537.26959	2.3
563.21387	5.2
564.21906	0.7
581.26025	13.7
582.26276	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.7
57.21048	2.3
59.00951	4.9
59.01252	100.0
61.98685	2.7
67.01757	3.3
67.40845	2.5
69.03330	2.5
69.27084	24.0
71.01254	41.9
73.02816	46.9
75.00750	3.0
78.95772	5.1
81.03324	3.2
83.01253	16.1
85.02821	15.3
87.00751	11.6
89.02323	11.2
93.03334	23.2
96.95921	5.8
101.02328	79.6
109.02846	7.9
111.04390	7.6
113.02345	17.1
115.91958	5.5
119.03381	10.2
123.04372	2.6
125.02322	5.4
129.01840	2.7
131.03389	6.3
134.03600	3.9
134.05942	5.1
135.04457	2.7
137.02376	13.8
143.03401	6.1
146.03696	3.3
148.07622	4.6
149.04472	9.5
149.05989	2.7
151.00243	3.8
153.01826	7.6
153.40536	2.2
155.03426	6.4
155.10764	2.6
161.04498	21.0
173.04492	41.4
173.05885	4.1
175.07513	4.9
177.01810	4.3
186.06815	3.2
187.03999	4.4
187.07629	3.7
191.05553	70.1
192.05869	2.6
203.05444	6.1
203.07129	6.3
204.07799	4.4
206.08168	3.4
211.13431	3.8
214.06372	6.8
217.08594	3.3
221.06589	11.5
225.14975	2.6
229.08771	3.8
232.07448	3.6
247.09669	2.8
248.10538	5.6
263.07709	7.1
281.09396	2.8
299.16620	2.5
309.15176	4.5
311.12799	3.4
327.15970	10.2
345.17059	15.2
346.16928	2.6
371.14825	5.9
389.15930	9.3
390.16739	2.4
407.17142	8.2
443.19470	3.7
477.30469	4.8
488.18637	7.8
506.18707	3.0
521.33014	6.9
550.17957	3.5
563.21521	8.5
564.21753	2.8
581.21533	13.5
582.21881	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	580.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.2
61.98705	2.0
63.99126	0.3
70.37740	0.2
71.06507	0.4
71.06829	0.4
75.39738	0.2
78.95779	7.7
79.95632	0.2
84.08607	0.2
96.95895	3.5
99.92458	0.3
101.74155	0.2
115.91968	0.6
116.92706	0.4
120.98296	0.2
144.53365	0.2
152.99472	1.8
168.04231	1.2
177.26370	0.2
179.89128	0.6
180.89891	0.6
196.89432	1.1
224.06877	0.6
236.92491	0.6
242.07954	2.7
253.84653	0.2
276.61465	0.3
281.24844	100.0
282.25198	9.2
414.55142	0.2
482.26202	0.3
506.32501	27.3
507.32852	4.0
581.18475	1.3
599.80072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90488	1.6
59.01246	6.4
61.98700	2.9
62.91257	1.3
66.68058	1.4
67.01776	2.3
71.01260	4.6
71.37360	1.8
78.95776	100.0
81.03332	1.8
85.02827	2.9
87.00728	3.4
93.03332	16.6
96.77898	1.4
96.95876	2.0
96.96869	7.8
108.57892	1.4
111.04403	5.0
133.02855	10.5
134.03615	11.6
135.04424	9.0
137.02336	3.7
139.03911	1.7
152.99506	14.4
162.03194	2.9
171.00560	16.8
172.00916	3.1
173.04457	25.6
177.01816	7.2
178.01181	2.1
178.02626	23.6
179.03307	3.1
191.05542	8.7
196.98795	1.5
209.11646	1.9
231.10284	3.0
275.09259	19.4
449.14349	4.5
578.31085	5.2
579.21783	3.5
579.31287	52.1
580.31439	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	579.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51189	0.4
52.93378	0.3
59.01250	1.0
63.96101	1.3
65.69312	0.4
70.32240	0.8
70.32596	1.4
71.01254	7.1
73.02792	1.3
78.95779	1.8
78.98460	5.4
79.95606	13.0
80.57667	0.4
80.96388	76.8
81.03337	0.7
84.26637	0.4
85.02816	3.3
87.00756	3.0
94.97961	17.0
96.95889	19.0
96.98393	0.5
97.02832	1.3
98.20471	0.5
99.00758	0.6
101.02309	2.7
106.97948	3.1
113.02376	0.4
122.97471	3.9
124.30649	0.4
125.02333	3.3
127.03915	0.7
134.97476	5.2
135.97900	0.4
136.99011	1.9
146.97491	0.4
148.99039	6.9
152.98505	5.3
152.99536	0.6
164.98535	12.6
194.93686	0.9
197.38350	0.4
206.99628	2.2
225.00694	16.7
226.01022	0.5
245.04434	0.6
279.23254	2.4
280.38159	0.5
282.98962	0.4
299.04407	3.2
343.01083	1.3
374.35812	0.5
389.54428	0.5
424.88065	0.5
481.25851	0.7
544.36755	0.5
579.28412	100.0
580.28815	14.8
584.08270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54012	0.4
54.12778	0.4
57.03316	0.7
58.35672	0.4
59.01255	1.2
61.58035	0.4
63.96101	1.7
69.03300	0.8
71.01250	7.9
71.24846	0.4
73.02818	1.7
78.98457	6.7
78.98879	0.8
79.95603	10.5
80.96389	76.6
81.03331	0.9
85.02813	3.4
87.00727	3.4
93.97215	0.6
94.97960	18.4
94.98569	1.0
95.01246	0.5
96.95872	3.5
97.02829	2.2
98.19722	0.6
99.00810	0.6
101.02314	3.3
106.97974	3.5
113.02325	0.6
122.97472	5.4
125.02313	3.9
127.03909	1.1
134.97462	3.7
136.99039	2.1
146.97481	0.7
148.99054	6.9
152.98538	7.4
164.98549	13.9
167.00160	0.9
182.99617	3.7
206.99603	3.5
225.00694	21.6
226.01050	0.5
243.01799	2.4
279.23212	4.7
299.04419	3.7
317.45532	0.5
579.28412	100.0
580.28784	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	579.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.2
57.07579	2.4
59.01250	19.8
61.98707	4.8
67.01743	4.5
69.03311	3.3
71.01256	16.2
71.57766	3.2
78.95798	2.8
80.75686	1.9
83.04929	4.9
85.02833	10.2
87.00775	2.9
93.03336	35.0
96.95882	5.4
101.02319	5.1
105.03326	8.9
109.02860	2.9
111.04424	13.0
113.02341	5.0
117.03320	3.6
123.04368	2.6
127.94205	2.2
133.02844	44.8
134.03645	46.9
135.04440	21.3
137.02367	18.0
139.03899	6.9
155.02301	2.2
155.03401	12.7
162.03178	3.4
173.04475	54.5
173.05966	3.2
174.04843	7.2
175.05115	2.5
177.01857	36.1
178.02641	77.3
179.03090	11.5
187.07504	2.8
188.07927	2.7
191.05533	27.6
192.05835	3.5
193.06004	3.0
204.07732	2.6
209.11787	3.1
215.06963	3.3
231.10222	25.6
259.57962	2.3
265.13470	3.5
275.09262	100.0
276.09604	8.5
296.34296	2.4
322.46176	2.6
360.50076	2.7
403.36945	3.0
412.90051	2.5
449.14499	9.9
579.20050	3.0
579.26630	4.3
579.34619	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	579.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83802	4.8
59.01249	16.6
61.98701	7.0
67.01765	14.2
67.52026	5.0
69.03322	5.1
71.01257	15.7
71.57313	6.0
78.95768	9.3
85.02824	6.3
87.00769	17.0
93.02455	6.4
93.03338	76.7
96.95894	6.6
111.04430	8.8
133.02838	9.7
134.03665	9.6
135.04408	20.2
135.29327	5.0
155.03343	6.6
161.02309	6.0
171.10066	8.1
173.04460	100.0
177.01837	6.1
178.02611	9.4
179.03418	8.2
191.05527	30.0
209.11942	6.8
217.00407	8.4
295.23047	6.8
295.98380	5.3
300.02780	5.6
361.11032	13.1
449.14572	39.5
468.31650	6.0
579.23743	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	579.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	8.3
69.41362	2.3
69.41789	1.5
71.01255	5.3
71.04864	0.4
71.19760	0.4
73.02821	1.7
83.01270	1.0
83.04941	0.4
85.02811	2.9
87.00761	1.6
89.02319	2.0
93.01383	0.4
93.03338	1.2
95.01264	0.8
95.04903	0.8
96.95880	1.3
97.02818	0.7
97.06509	0.4
99.00781	0.4
101.02312	2.8
109.02868	2.4
113.02341	3.2
119.03403	0.8
123.00767	2.7
123.04378	1.1
125.02327	1.5
135.04439	0.9
137.02344	10.8
139.03923	1.0
143.03354	0.6
143.04449	0.4
149.02325	1.2
150.03148	0.6
151.00278	19.8
151.01506	1.0
151.03905	1.6
152.01003	1.7
152.03645	0.5
152.04652	2.7
153.01836	0.7
155.10646	0.6
156.43138	0.4
159.04410	0.5
161.02357	0.6
161.04521	1.0
163.03940	0.8
165.01810	1.0
166.02625	62.1
167.03278	4.3
173.04486	1.7
175.03912	1.7
175.07629	0.5
177.01880	3.5
177.05531	0.7
178.02580	0.7
179.03418	1.0
181.04980	78.9
182.05354	3.3
184.03722	0.8
187.03993	0.5
189.05577	0.6
190.06290	1.4
191.03784	0.6
191.05550	3.3
192.04204	1.3
193.04997	1.0
201.11453	0.4
205.04927	1.0
205.08624	1.1
207.03236	0.5
207.04973	1.6
207.06642	1.1
209.04500	1.0
209.11703	0.7
217.05005	0.5
233.60217	0.4
249.11513	0.4
290.08218	0.5
301.07162	0.5
313.43146	0.4
316.09613	0.5
343.15274	0.6
357.09717	0.5
357.26364	0.8
359.11362	2.0
371.14914	1.0
375.27716	1.1
387.10776	17.1
387.15521	1.0
388.11258	1.7
402.13190	7.8
403.13727	0.7
405.15692	0.6
417.15524	100.0
418.15863	11.9
519.31671	4.3
537.32849	2.2
579.15808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
58.00468	1.6
59.01250	97.8
67.01730	1.1
69.03329	2.1
69.47247	4.4
69.47672	3.5
71.01252	48.7
72.01587	1.3
72.99190	1.6
73.02817	58.9
75.00769	1.4
80.82103	0.9
83.01256	17.6
85.02821	7.1
87.00750	3.6
89.02325	9.9
93.03348	2.3
96.95895	5.4
97.02842	1.6
98.19768	1.7
99.00768	1.2
101.02317	53.3
107.01249	2.4
108.02044	2.1
109.02840	2.3
113.02328	14.8
116.91861	1.1
117.03318	1.8
119.03375	3.7
119.04887	1.2
121.02858	1.7
123.04428	1.6
125.02352	2.6
131.03387	4.8
132.02109	1.2
133.02831	1.7
134.03651	1.9
135.04514	1.7
136.01570	2.5
143.03400	3.7
145.02853	7.8
146.03639	40.7
146.04807	2.1
147.04408	4.6
149.02333	2.5
149.04420	4.1
150.03130	2.8
151.00282	3.1
151.03943	1.8
155.03345	1.7
161.02386	6.6
161.04472	10.1
161.05997	10.0
162.03131	78.5
163.00313	1.5
163.03688	4.2
164.03409	2.0
164.04706	24.0
165.05437	4.3
169.06398	1.0
171.04225	1.0
173.04471	2.2
173.05898	1.0
175.02478	1.0
177.05490	65.7
178.04341	1.0
178.05824	4.4
179.07057	42.4
180.07393	2.3
187.03883	2.2
188.04623	2.0
191.05598	5.6
195.05019	1.1
195.06494	4.8
202.06306	1.7
207.05009	1.6
211.04047	2.2
213.05426	1.4
219.06523	2.1
227.03432	36.5
228.03941	3.4
229.05055	3.1
255.02959	67.4
256.03534	9.4
257.04449	4.8
283.02539	2.4
284.03247	100.0
285.03952	43.5
286.04425	3.3
323.09198	1.4
324.10165	2.4
327.12329	5.3
339.12384	21.3
340.12680	2.8
356.00851	1.1
357.11923	2.1
369.13644	1.0
429.08426	1.6
519.31561	1.8
579.13562	69.2
580.13892	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	579.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30872	0.5
57.03301	0.8
59.01249	12.1
62.29853	0.4
62.97821	0.5
65.00195	0.7
69.39199	2.9
69.39616	1.6
71.00877	0.7
71.01253	5.1
72.99146	0.9
73.02819	3.4
83.01270	1.8
85.02824	1.8
87.00758	0.9
87.44636	0.5
89.02308	1.5
93.03325	1.8
96.95892	9.6
98.95432	0.9
101.02301	4.0
104.72736	0.5
107.01262	1.8
109.02824	1.2
113.02328	1.5
114.61311	0.5
114.93267	1.0
119.03355	0.6
126.90262	0.8
132.02087	1.0
132.80327	0.5
135.00778	1.3
135.04420	0.8
136.01433	0.6
137.02316	0.6
143.04895	0.7
146.03636	1.3
149.02353	0.9
150.03088	2.2
151.00259	2.6
152.01003	0.6
159.04501	0.6
161.04434	1.1
162.03114	2.9
163.00258	2.0
164.04689	0.8
165.05513	1.2
169.01300	1.2
173.04427	2.0
177.05487	3.2
178.99791	1.4
179.03455	0.5
179.07060	1.2
183.04518	1.0
185.02251	0.6
185.06088	0.9
187.03929	1.2
189.05386	0.7
191.05577	4.7
195.06461	0.8
199.04007	0.7
207.05067	1.3
211.03949	1.8
213.05461	0.7
227.03442	33.9
228.03751	3.3
229.04968	4.3
239.03468	1.4
241.04935	0.9
255.02960	67.4
256.03503	9.2
257.04495	3.6
283.02481	1.6
284.03250	100.0
285.03955	43.0
286.04343	3.2
327.12332	1.5
327.15808	0.5
339.12405	0.9
343.15381	0.5
371.14954	0.8
387.14563	0.8
399.15710	0.7
400.16168	0.6
401.16132	1.2
429.08142	1.1
435.33682	0.5
447.09332	0.8
579.13525	65.5
580.13812	11.5
608.31433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1723
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
57.03308	2.4
59.01249	26.9
61.98707	1.0
63.02257	1.9
65.00187	12.2
67.27915	0.9
69.03304	1.0
71.01256	14.5
71.04897	0.9
71.57716	1.0
72.99173	2.0
73.02824	4.6
75.00718	1.0
82.95284	1.0
83.01254	8.7
83.02394	2.0
83.04896	1.0
85.02821	10.7
87.00745	4.8
89.02318	5.3
93.03331	11.3
95.01287	1.0
96.95894	7.4
99.00764	1.8
101.02322	8.2
107.01269	20.6
108.02078	1.3
109.02840	2.9
111.04385	1.9
113.02322	7.2
119.03427	2.4
119.04907	36.6
120.05214	1.6
121.02836	1.2
125.02319	6.2
127.03867	1.6
129.01797	1.3
133.02850	1.4
134.03645	2.0
135.04337	0.9
137.02315	3.3
139.03957	0.9
143.03406	2.0
143.04881	1.3
145.02835	5.1
147.04372	1.0
149.02289	1.4
151.00273	100.0
152.00644	2.8
153.01900	1.1
155.03407	1.4
161.04393	2.7
161.05859	1.5
163.03793	1.0
164.01053	1.3
165.01796	4.2
166.02628	6.0
169.01382	5.3
173.04475	8.4
175.00281	1.2
177.01862	8.8
179.05550	1.2
181.04973	5.3
181.12273	1.0
185.06030	1.7
187.03929	1.9
189.03920	1.8
191.05525	15.9
192.05830	1.3
193.01375	2.6
206.89978	1.0
207.05019	12.9
227.07059	3.7
229.05002	1.1
235.02386	1.2
271.06119	60.0
272.06372	3.9
283.13306	1.7
311.13116	1.5
313.07095	3.3
343.15445	1.1
343.21295	2.5
353.13980	1.2
355.07547	1.0
357.26294	1.2
371.14844	3.0
375.27356	1.6
387.10590	1.6
387.14905	1.3
405.15244	1.1
417.15598	6.5
459.11542	15.2
460.12085	1.3
489.88638	0.9
518.30304	2.0
519.31793	13.8
520.32538	1.0
537.32898	3.7
561.14819	1.3
578.35638	2.1
579.17096	66.2
580.17358	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	579.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30872	0.5
57.03301	0.8
59.01249	12.1
62.29853	0.4
62.97821	0.5
65.00195	0.7
69.39199	2.9
69.39616	1.6
71.00877	0.7
71.01253	5.1
72.99146	0.9
73.02819	3.4
83.01270	1.8
85.02824	1.8
87.00758	0.9
87.44636	0.5
89.02308	1.5
93.03325	1.8
96.95892	9.6
98.95432	0.9
101.02301	4.0
104.72736	0.5
107.01262	1.8
109.02824	1.2
113.02328	1.5
114.61311	0.5
114.93267	1.0
119.03355	0.6
126.90262	0.8
132.02087	1.0
132.80327	0.5
135.00778	1.3
135.04420	0.8
136.01433	0.6
137.02316	0.6
143.04895	0.7
146.03636	1.3
149.02353	0.9
150.03088	2.2
151.00259	2.6
152.01003	0.6
159.04501	0.6
161.04434	1.1
162.03114	2.9
163.00258	2.0
164.04689	0.8
165.05513	1.2
169.01300	1.2
173.04427	2.0
177.05487	3.2
178.99791	1.4
179.03455	0.5
179.07060	1.2
183.04518	1.0
185.02251	0.6
185.06088	0.9
187.03929	1.2
189.05386	0.7
191.05577	4.7
195.06461	0.8
199.04007	0.7
207.05067	1.3
211.03949	1.8
213.05461	0.7
227.03442	33.9
228.03751	3.3
229.04968	4.3
239.03468	1.4
241.04935	0.9
255.02960	67.4
256.03503	9.2
257.04495	3.6
283.02481	1.6
284.03250	100.0
285.03955	43.0
286.04343	3.2
327.12332	1.5
327.15808	0.5
339.12405	0.9
343.15381	0.5
371.14954	0.8
387.14563	0.8
399.15710	0.7
400.16168	0.6
401.16132	1.2
429.08142	1.1
435.33682	0.5
447.09332	0.8
579.13525	65.5
580.13812	11.5
608.31433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91148	0.3
51.92473	0.3
52.45343	0.3
59.01246	25.8
59.90140	0.3
60.97514	0.3
61.98711	0.9
70.07903	0.8
70.08293	0.6
71.01250	1.7
76.33733	0.3
77.71882	0.3
78.95773	24.3
78.98465	1.7
79.95589	2.4
80.96387	17.0
85.02817	0.9
87.00733	0.6
94.97953	3.7
97.02827	0.9
98.19879	0.6
101.02318	0.7
106.97952	0.9
107.75974	0.3
112.62405	0.4
122.97447	1.3
122.98355	0.7
125.02319	0.7
134.97467	1.3
136.99039	0.4
148.99011	1.5
149.00090	0.4
152.98477	1.5
152.99590	3.1
164.98553	3.3
168.04257	2.5
168.13974	0.3
182.99609	0.4
206.99524	0.8
224.04880	0.6
224.06882	8.3
225.00725	4.7
242.07936	2.4
243.01683	0.4
277.87268	0.3
279.23264	100.0
280.23608	10.0
299.04541	0.7
400.96155	0.4
504.30923	59.3
505.31293	8.7
516.93103	0.4
578.26538	0.5
579.28424	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65965	0.2
54.91179	0.2
59.01247	17.1
65.92001	0.2
69.32270	1.7
69.32680	0.3
71.01245	0.3
78.95772	5.9
78.98444	0.2
80.96376	1.6
94.97968	0.3
96.96838	0.3
112.30789	0.2
152.98425	0.2
152.99530	1.1
168.04199	1.7
224.06856	0.9
224.67287	0.2
225.00703	0.3
242.07939	2.8
261.22345	0.4
279.23260	100.0
280.23596	10.6
280.26721	0.4
286.71838	0.2
504.30948	27.4
505.31177	4.3
505.38055	0.4
578.27142	1.9
579.27130	0.6
583.58905	0.3
605.09637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17721	1.2
52.09048	1.2
57.03321	5.6
58.00432	1.5
59.01251	100.0
60.01567	2.2
61.98705	36.6
67.01731	2.0
69.03334	2.1
71.01254	35.8
72.54602	1.3
72.99156	3.5
73.02817	15.3
75.00760	1.6
78.95779	1.6
81.03325	3.1
83.01255	8.0
83.04894	3.0
85.02821	22.5
87.00755	15.5
88.01071	1.9
89.02312	6.3
93.03337	17.2
94.03677	1.6
94.35592	1.4
95.01225	2.5
96.95896	10.4
97.02820	1.7
97.06470	1.4
98.20536	5.3
99.00754	5.1
99.04401	2.7
101.02318	22.4
107.04971	1.5
108.02040	5.0
109.02834	7.9
111.00767	2.7
111.04410	3.9
113.02333	13.8
114.79576	1.4
119.03376	2.0
119.04874	4.9
120.39504	1.5
122.05970	2.0
123.04404	18.1
125.02311	3.7
127.03892	3.0
129.01778	2.9
133.02852	2.6
134.03616	3.2
134.05971	1.5
135.04442	12.4
137.02338	5.9
143.03380	2.4
148.05179	1.9
149.04633	1.3
151.00343	1.5
152.01039	7.8
153.01831	5.5
155.03368	3.4
155.10727	2.5
161.02383	1.9
161.04451	5.5
163.03969	3.2
167.03409	12.3
171.02843	1.6
173.04483	31.1
173.05882	2.4
174.04787	6.1
175.03886	2.1
176.01027	5.6
177.01889	2.5
178.02591	2.2
179.03384	11.7
186.03162	2.5
187.07544	3.5
189.03996	4.9
191.03474	5.1
191.05527	50.9
192.05840	6.7
202.06311	1.6
207.05048	13.3
214.02634	6.0
214.06194	3.5
215.03027	4.7
215.07182	3.0
217.08592	2.1
227.07042	2.7
229.08687	4.2
239.20142	1.5
241.01390	4.5
242.02110	15.4
243.02614	8.4
244.03098	2.1
245.00803	7.0
245.08084	2.6
246.01192	4.5
246.09065	1.7
253.81953	2.0
269.21158	4.5
270.01718	14.7
271.02130	14.8
272.02615	2.5
274.00684	1.7
275.09225	1.6
279.34879	1.5
280.10977	2.2
297.15173	2.2
298.01169	4.4
299.01529	8.9
300.02164	4.2
330.26404	2.7
354.14319	3.3
357.26422	2.9
371.14804	2.9
372.15253	1.9
373.25873	5.0
374.26239	7.4
375.27402	10.6
387.14572	3.3
389.16174	2.2
397.08731	5.5
398.09357	2.9
401.25549	2.4
404.18005	2.7
405.15552	1.9
414.09564	2.2
415.10162	7.9
442.17709	1.8
456.29706	2.4
459.17221	2.7
463.08829	2.1
474.30710	65.4
475.30942	6.4
492.31845	11.3
502.20065	2.0
518.30145	3.1
519.31775	4.4
534.31500	3.6
536.31268	2.7
537.32623	3.3
546.19067	1.7
560.14783	4.8
561.19971	3.4
578.15924	49.5
578.24701	2.6
578.32330	17.8
579.14819	3.5
579.21240	6.6
579.34131	12.6
585.15521	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	578.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52069	0.3
53.37561	0.3
55.51048	0.3
57.72064	0.3
59.01252	0.8
67.01755	0.6
68.66331	0.3
69.59427	0.6
69.59823	1.7
70.43909	0.3
71.01247	0.6
77.78278	0.3
78.95774	100.0
83.04872	0.3
85.02818	0.3
87.00751	0.5
93.03342	2.9
96.96838	7.9
97.06464	0.6
97.07136	0.3
111.04382	0.5
116.43221	0.3
122.98433	0.7
127.11179	0.8
129.32603	0.3
133.02837	0.4
134.03603	1.4
135.04385	1.0
139.50940	0.3
140.01123	0.4
142.03040	0.3
151.00270	0.4
152.99490	15.1
167.14331	1.1
168.13890	1.5
171.00554	19.2
173.04474	5.5
177.01797	0.5
177.99702	0.3
178.02585	0.9
191.05531	1.3
194.05830	0.7
209.11832	0.3
211.13307	0.7
214.04836	0.3
229.14444	1.4
241.18031	1.7
257.26843	0.3
265.13190	0.3
268.09531	2.5
275.09158	0.9
312.12167	0.4
366.16696	0.8
393.25333	0.4
404.18106	0.4
440.19876	0.3
449.14584	0.5
480.23587	1.0
578.30969	51.6
579.23309	0.3
579.31396	7.0
579.40649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	15.8
67.07158	0.5
70.63500	1.7
71.01251	3.4
75.94318	0.6
78.95776	0.7
80.96399	1.7
85.02793	0.8
87.00776	0.7
89.02297	2.3
95.01295	0.6
96.95888	0.5
96.96608	0.6
99.00725	0.7
101.02309	3.3
109.02878	0.6
113.02326	1.4
119.03365	0.8
126.83429	0.7
161.04430	1.6
171.10170	0.8
207.10286	1.0
209.11708	4.6
211.13159	0.6
235.08165	2.1
253.09236	12.3
277.21814	0.9
281.24835	100.0
282.25177	10.9
293.21152	5.1
294.21512	0.7
295.22769	1.9
499.93878	0.7
577.27612	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82106	0.4
53.51193	0.4
55.00238	0.4
57.23245	0.4
59.01231	1.3
63.96099	1.3
69.03339	0.7
69.45930	3.7
71.01253	7.0
72.99201	0.6
73.02817	2.1
78.98463	6.4
79.95599	11.2
80.96388	74.0
81.03334	1.1
81.96315	0.6
85.02815	3.0
87.00741	3.4
88.18822	0.4
94.97957	16.6
95.01260	0.7
96.95891	1.2
97.02843	1.3
98.19829	0.8
99.00729	0.8
101.02321	3.3
106.97967	4.0
107.46482	0.5
122.97462	5.6
125.02344	3.9
127.03894	1.2
128.72926	0.4
134.97473	4.8
136.99052	1.2
143.24098	0.4
148.99042	7.3
152.98534	8.4
153.19458	0.5
164.98544	12.1
167.00064	0.4
182.99599	2.3
188.98518	0.5
206.99640	3.4
225.00688	17.5
226.01077	0.8
234.77234	0.4
243.01820	1.6
258.69412	0.4
277.21680	2.6
278.22134	0.5
299.04364	2.3
317.05353	0.5
577.26843	100.0
578.27203	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.3
62.36535	0.4
63.96103	1.4
69.03322	0.9
70.07375	0.8
70.07771	1.0
71.01247	10.5
73.02824	2.6
78.98461	7.7
79.95224	0.3
79.95600	14.0
80.96387	88.4
81.03329	0.8
83.01242	0.6
85.02814	3.6
87.00758	2.9
88.47411	0.5
94.97957	22.2
96.95877	1.9
97.02813	1.9
99.00739	0.8
101.02335	3.9
106.97953	4.2
113.02358	0.9
122.97459	4.5
125.02345	2.8
127.03847	1.1
134.97459	6.8
136.99040	1.7
148.99045	7.9
152.98538	8.3
155.43251	0.3
164.98546	15.0
167.00177	0.4
179.20706	0.4
182.99574	0.9
206.99637	2.5
214.99757	0.4
223.66302	0.4
225.00694	15.7
226.00931	0.6
277.21741	1.7
299.04419	3.9
577.26837	100.0
578.27179	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	577.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83067	0.5
59.01244	1.2
60.61330	0.4
63.96109	1.4
64.27539	0.4
69.03329	0.8
70.92937	1.0
70.93292	0.5
71.01251	9.3
73.02805	2.2
78.98463	7.8
79.35640	0.5
79.95602	14.5
79.97241	0.4
79.97663	0.4
80.96388	92.0
81.03331	0.7
85.02822	4.1
87.00753	3.2
94.97959	19.2
96.95893	0.9
97.02820	1.8
97.53538	0.4
101.02325	2.4
106.11938	0.4
106.97967	3.6
108.24262	0.4
113.02329	0.5
122.97466	7.6
125.02335	3.1
127.03909	0.7
134.97478	5.9
136.99026	1.5
146.78944	0.4
148.99043	6.6
152.98535	7.8
164.98540	11.9
167.00082	0.6
182.99603	2.2
206.99629	2.9
225.00694	16.5
243.01756	1.8
263.40457	0.4
277.21716	2.3
299.04443	2.1
314.86816	0.5
577.26855	100.0
578.27228	15.5
591.45935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	21.7
60.01561	0.3
69.24149	0.3
71.01263	1.1
71.45521	0.2
78.95773	7.1
78.98470	1.3
79.95190	0.3
79.95592	2.0
80.95898	0.5
80.96386	10.8
85.02827	0.6
85.95637	0.3
87.00724	0.5
94.97965	2.8
97.02825	0.3
98.19753	0.4
101.02346	0.4
106.97971	0.4
118.69845	0.3
122.97441	0.9
125.02366	0.4
127.03822	0.3
134.97470	0.7
148.99033	1.4
152.98476	0.8
152.99513	1.3
153.33838	0.2
164.98529	1.7
168.04170	2.0
182.99567	0.6
206.99626	0.4
224.06862	0.9
224.98869	0.3
225.00751	2.6
233.22704	0.6
242.07890	3.0
259.20682	0.7
275.19998	0.5
277.21707	100.0
278.22043	10.1
299.04456	0.4
502.29395	29.8
503.29654	4.0
554.23822	0.3
577.26837	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	577.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	31.6
63.29914	1.2
66.68159	1.1
69.72927	7.2
71.01260	5.1
72.99166	1.5
74.61803	1.3
83.01289	1.2
85.02856	1.9
89.02322	1.9
93.03355	1.6
94.06502	2.4
96.95889	17.8
101.02339	2.4
106.06519	4.6
113.02342	2.4
122.06001	9.4
132.04449	3.7
134.04996	2.1
134.06020	34.1
135.06371	1.8
136.07629	2.0
137.02342	1.8
144.47560	1.2
146.06023	12.8
148.07556	3.0
151.00233	1.8
152.07111	2.0
160.07510	2.1
162.05515	4.7
164.07118	2.9
173.04471	2.1
174.05542	3.4
176.07097	2.4
178.99757	1.5
186.05583	2.3
188.07092	1.4
191.05632	6.0
192.06596	33.4
204.06570	11.4
223.93036	1.1
237.10222	1.3
251.11766	1.4
253.13368	4.1
255.02805	1.3
260.13287	1.3
277.63873	1.5
279.11319	1.8
281.12946	10.7
293.12833	1.6
309.12341	5.6
311.14069	1.7
321.12558	2.4
339.03821	1.2
339.13483	33.9
340.13736	3.7
351.13425	1.6
357.14407	3.3
369.14313	9.2
371.14883	1.6
399.15594	100.0
400.15973	11.3
411.15625	5.6
424.28619	1.2
429.16568	3.4
453.16714	1.9
489.18585	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18937	0.3
55.87754	0.3
59.01236	1.5
61.98700	100.0
70.34235	0.6
71.01257	0.4
78.95780	0.4
79.95633	0.2
80.96407	0.9
81.18020	0.3
88.46633	0.2
90.69543	0.2
90.81049	0.3
96.34807	0.2
98.20419	0.3
106.61975	0.2
114.75399	0.2
158.31689	0.2
199.00758	0.2
209.11775	0.2
253.09300	0.6
255.09772	0.7
256.09964	0.3
277.21640	3.5
278.22089	4.9
279.22324	3.1
280.22592	1.8
577.26758	1.4
581.61487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23792	0.2
53.95485	0.2
59.01244	3.4
60.01565	0.3
61.01695	0.4
61.98699	100.0
62.17764	0.2
62.98410	0.2
64.22896	0.2
71.01264	0.6
71.20769	0.5
73.04955	0.2
74.85402	0.2
80.96387	1.5
89.02308	0.3
94.97992	0.3
101.02331	0.7
116.75079	0.2
119.03373	0.2
225.00642	0.3
231.73067	0.2
253.09290	0.6
254.09663	1.0
255.09933	1.1
256.10062	0.5
277.21704	4.9
278.22052	10.4
279.22351	5.2
279.25192	0.4
280.22623	3.1
577.26929	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	576.294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93215	0.2
51.05026	0.2
56.48824	0.2
57.03327	0.3
59.01254	2.4
60.99178	0.5
61.98690	0.5
67.01766	1.7
69.03316	0.5
70.81766	0.6
71.01256	1.1
71.04893	0.6
78.95776	100.0
81.03368	0.4
83.04903	0.4
83.15130	0.3
85.02818	1.3
87.00283	0.4
87.00749	3.1
93.03334	10.7
96.95904	0.5
96.96835	10.0
97.06465	0.5
101.02339	0.3
111.04419	1.8
122.98419	1.1
127.03904	0.4
127.11176	1.1
134.03586	0.4
135.04433	0.6
137.02299	0.4
140.01096	0.5
147.04417	0.8
152.99493	17.1
153.99843	0.3
155.03386	0.9
158.03651	0.3
159.04303	0.5
161.02354	0.5
163.07571	0.7
165.12805	0.7
168.13853	2.0
169.12198	0.4
171.00560	21.3
172.00883	0.4
172.05196	0.3
173.04475	14.4
173.05942	1.0
174.04843	0.4
174.06732	0.3
177.01866	0.4
177.09119	0.8
179.03401	0.4
185.06018	0.4
186.06790	0.9
187.03960	0.4
187.07585	2.1
189.05522	0.5
191.05539	15.3
194.05807	1.0
200.04575	0.5
201.05507	0.9
201.09113	0.5
202.06317	0.8
203.07031	0.4
204.07880	0.8
209.11848	0.6
214.04541	0.4
214.06320	1.1
215.07048	3.1
215.10709	0.6
229.08676	1.4
230.09514	0.5
231.10271	0.7
233.06636	0.8
236.20151	0.5
239.16679	0.3
261.11426	0.4
263.12851	0.3
268.09503	3.4
270.18231	0.3
274.08420	0.7
280.19260	0.7
307.11874	0.3
312.12311	0.7
327.15982	0.3
337.23938	1.3
350.13672	0.5
366.16882	1.3
371.15067	0.8
385.16599	0.4
394.12909	0.3
402.10837	0.3
403.17532	0.4
404.14532	0.3
424.17624	0.4
435.40506	0.3
478.22168	0.9
480.16083	0.7
545.20349	1.6
576.29388	52.3
577.22565	1.5
577.30103	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	575.2526
Annotation	(+)-Isotrilobine
Peak:m/z	Relative Intensity
52.72012	0.4
59.01234	1.6
63.68901	0.4
63.96107	0.9
67.41332	0.5
70.00590	2.1
71.01249	8.0
73.02807	2.0
73.67241	0.4
78.98457	6.6
79.95602	9.7
80.96387	72.5
81.03305	0.9
85.02829	3.2
87.00748	2.7
94.97374	0.9
94.97958	16.6
95.01264	0.8
96.95878	0.9
97.02819	1.3
101.02309	2.9
106.97971	3.2
113.02297	0.8
122.97453	5.8
125.02325	3.2
127.03913	0.7
134.97464	4.3
136.99037	1.7
148.99049	5.8
152.98517	7.9
164.98540	12.5
166.57333	0.4
167.00092	0.6
182.99608	2.7
206.99641	3.0
211.20746	0.4
225.00674	17.0
226.00989	0.6
243.01747	1.4
246.35472	0.5
268.37653	0.5
275.20071	1.1
299.04364	2.3
439.98312	0.5
467.56509	0.5
575.25250	100.0
576.25555	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	575.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.7
61.98683	0.7
63.96099	2.0
66.68020	0.7
69.03314	1.0
71.01254	9.7
71.46672	1.7
73.02807	2.0
73.44814	0.7
74.50732	0.8
78.95769	1.6
78.98462	8.2
79.95599	12.1
80.96389	85.9
85.02808	2.9
87.00742	3.9
87.65820	0.7
94.97369	1.4
94.97958	19.1
95.01299	0.9
96.95900	1.6
97.02838	1.4
99.00766	0.8
101.02320	3.5
106.97974	4.3
113.02341	0.8
122.97464	7.4
125.02325	4.4
125.91999	0.7
134.97456	6.1
136.99008	2.1
148.99014	6.6
152.98529	9.0
164.98546	13.4
167.00255	0.7
182.99635	3.4
203.54073	0.8
206.99628	3.3
209.11775	0.8
217.00334	0.8
225.00685	16.9
226.01050	0.7
233.70583	0.7
243.01814	1.3
275.20087	0.9
293.21326	1.1
299.04553	3.4
378.25275	0.8
401.88046	0.8
411.39969	0.8
515.29895	0.8
575.25287	100.0
576.25629	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	575.2119
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
58.00481	1.2
59.01247	30.9
61.98700	0.8
69.03309	1.0
71.01254	20.2
71.57269	1.2
72.99184	1.9
73.02825	6.8
77.22913	0.8
78.95775	50.3
79.95594	1.7
80.02560	1.7
80.96391	2.5
81.03329	2.4
83.01264	3.5
83.04894	6.1
84.02045	1.5
85.02834	5.4
87.00729	1.9
89.02318	14.2
93.03332	2.6
94.97937	1.4
95.01265	1.9
96.95889	7.1
96.96832	9.0
101.02318	13.7
109.02866	0.9
111.00804	1.0
113.02336	9.3
119.03405	5.5
128.03424	1.5
131.03415	1.1
135.08081	1.6
140.24084	0.8
143.03461	1.2
149.04448	1.4
150.97856	0.8
152.99490	52.5
161.04459	2.4
163.11183	5.4
165.12759	2.7
169.23320	0.9
171.00616	2.0
173.04478	1.8
179.05511	2.2
191.05496	4.7
191.10738	1.2
206.99797	0.8
209.11768	88.6
210.12086	3.9
223.00031	5.9
227.12843	12.8
241.01157	20.5
259.02130	1.7
307.81992	0.8
315.04910	5.4
327.09113	0.9
333.05853	1.7
346.85651	0.9
395.07742	1.1
474.26071	1.0
525.16486	0.8
543.18475	7.5
557.19299	2.7
575.21100	100.0
576.21185	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	574.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06351	0.2
59.01246	1.0
61.98701	100.0
69.95039	0.3
69.95406	0.8
71.01239	0.2
85.02824	0.3
87.00764	0.2
93.03356	0.5
109.02812	0.2
152.99495	0.2
171.10187	0.2
173.04486	0.8
175.81294	0.2
191.05595	0.5
209.11821	0.2
340.70975	0.2
369.09586	0.2
574.17175	0.3
574.28137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	36.5
60.45664	0.9
61.98705	2.2
63.70797	0.9
65.37947	1.0
69.86416	2.0
69.86828	4.1
74.54728	0.9
78.55391	1.0
78.95773	10.2
83.93790	1.0
94.01016	0.9
98.20504	2.0
152.99489	2.0
168.04239	2.3
224.06856	2.4
231.21164	3.8
242.08005	4.1
275.20154	100.0
276.20517	10.1
308.94574	1.0
500.27780	32.8
501.27985	6.2
575.24939	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	571.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	54.5
60.80449	2.3
61.98702	7.3
71.01242	5.8
71.57742	3.6
78.95773	3.8
83.04906	5.6
85.02821	2.7
96.95868	4.4
118.01688	2.7
121.02895	2.5
133.92804	2.4
144.82773	2.6
145.99048	2.7
165.12787	3.7
171.10199	9.2
191.05573	3.2
209.11761	100.0
210.12086	8.6
227.12857	11.0
234.51804	2.5
262.09970	3.6
544.30621	3.1
571.27570	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	572.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05195	0.4
62.96267	1.1
71.15062	1.1
71.15389	0.6
78.95775	25.6
79.95617	3.1
96.95886	100.0
122.00027	1.2
125.09535	0.6
136.93108	1.4
140.01096	2.5
152.99471	1.7
178.94170	3.7
194.47018	0.6
196.03716	7.8
214.04729	0.5
237.97922	1.0
277.21713	15.5
278.21854	0.9
294.00708	0.8
312.01733	3.0
397.14673	0.9
455.15042	1.1
474.26260	4.6
512.21075	2.5
532.25397	0.5
572.23077	8.9
573.23560	1.2
580.52240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05144	1.2
57.31155	1.0
59.01250	22.7
61.16818	1.1
63.92782	1.0
71.01254	3.9
71.57479	1.6
78.95801	1.3
79.65349	1.1
85.02813	1.4
87.00751	1.1
89.02326	2.3
89.31984	1.0
98.54778	1.1
101.02322	3.3
113.02315	2.3
143.03432	1.1
152.99428	1.4
161.04381	1.8
173.73547	1.2
217.00378	2.3
231.21121	2.6
253.09267	14.9
275.20145	100.0
276.20547	7.5
478.47107	1.2
489.35248	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	569.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.7
57.03321	2.7
58.00474	0.9
59.01250	41.3
69.03325	0.7
71.01256	9.0
71.54971	0.8
72.99175	1.3
73.02496	0.9
73.02822	10.3
75.00770	1.3
80.96380	1.5
83.01256	7.7
85.02831	3.3
87.00761	1.9
87.04388	2.8
89.02322	1.3
93.03345	4.1
95.04886	1.6
96.95876	7.1
97.02835	1.1
97.06449	1.2
97.53401	0.8
98.20560	2.3
99.00747	1.7
99.04385	1.5
101.02310	6.3
102.28480	0.8
107.04889	1.7
108.02046	1.3
109.02849	10.7
109.06465	7.9
111.04407	0.9
113.02335	3.3
119.04917	7.5
121.02850	9.5
122.03611	3.4
122.06081	0.8
123.04401	1.8
125.02345	1.0
125.05962	0.8
127.03848	0.8
135.04407	10.5
137.02319	3.3
137.05984	45.1
137.09601	1.1
138.06310	2.4
139.07640	0.9
139.11182	9.3
149.05992	1.0
151.00232	1.1
151.11154	1.1
152.01056	1.5
153.01837	1.0
161.02414	1.1
161.09712	0.9
163.03874	1.4
163.11163	1.1
165.09123	1.6
167.10709	1.1
169.12251	3.1
171.10149	1.8
173.04420	2.2
179.03427	1.8
179.10722	1.8
181.04984	100.0
181.12199	4.5
182.05290	5.3
183.10188	11.8
184.06300	0.9
191.05547	4.9
197.11780	2.6
202.03136	0.8
209.11646	0.9
225.11253	15.7
243.12344	11.4
244.12680	0.9
249.11316	1.2
267.12384	1.5
268.56754	1.1
273.17014	3.3
291.12457	1.7
309.13583	1.0
327.14465	3.4
366.28275	0.8
371.24365	2.7
387.16650	10.1
458.11179	0.9
509.20200	3.5
551.21100	3.1
569.22314	87.9
570.22675	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	569.2241
Annotation	Ro 09-1468
Peak:m/z	Relative Intensity
53.09804	0.7
57.03324	2.2
58.00473	0.8
59.01250	40.6
61.98706	1.2
67.96404	0.7
68.99699	0.8
69.03326	0.7
70.08955	0.7
71.01249	8.7
72.99189	0.9
73.02818	9.7
75.00774	0.7
78.95783	1.5
79.95596	1.3
80.96390	1.1
81.03340	1.2
82.44648	0.7
83.01257	10.4
83.04920	1.3
83.05405	0.7
85.02829	3.0
87.00734	1.9
87.04403	2.9
89.02323	1.6
93.03336	3.4
95.04905	1.7
96.95898	6.9
97.02855	1.2
97.06455	1.5
99.00752	0.8
101.02312	5.8
107.04911	1.6
108.02031	1.0
109.02835	11.8
109.06472	7.1
111.04411	1.0
113.02348	2.2
119.04912	9.5
120.05224	1.1
121.02844	11.3
122.03665	3.9
123.04422	1.4
125.02336	2.1
125.05960	1.1
125.29876	0.7
127.03870	0.7
127.07537	1.0
134.03630	0.7
135.04411	10.3
137.02316	2.9
137.05980	47.7
137.09622	1.1
138.06325	1.7
139.07547	1.2
139.11198	9.5
151.00291	0.8
151.11179	1.2
152.01021	1.2
152.07120	1.3
153.01772	1.1
155.49312	0.6
161.02409	0.9
163.03905	1.5
163.11230	0.9
165.09113	1.9
167.10674	0.7
169.12250	3.6
169.45467	0.8
171.10239	1.3
173.04515	3.3
175.07524	0.8
179.03471	1.8
179.10698	2.5
181.04982	100.0
181.12242	5.7
182.05386	5.0
182.22148	0.9
183.10190	14.7
191.05515	6.3
195.13795	1.0
197.11804	2.6
199.13287	1.2
221.04507	1.2
225.11278	16.2
230.15251	0.8
239.12834	0.9
243.12347	11.5
249.11307	2.2
267.12418	2.0
268.56613	1.5
273.17075	3.4
285.13434	1.8
291.12427	2.8
309.13419	1.7
311.07745	1.2
325.09332	1.3
327.14545	4.2
369.22995	0.8
371.24316	1.6
387.16611	10.1
388.17203	1.5
509.20306	3.9
509.26971	0.9
525.23743	1.3
551.21710	4.4
552.21429	1.1
569.22345	94.7
570.22699	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	569.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87986	0.8
57.03315	1.2
59.01251	32.3
61.98688	0.9
69.03303	1.0
70.59999	2.6
71.01242	6.0
72.99174	3.4
73.02816	9.2
82.48164	0.8
83.01247	8.3
85.02827	1.5
93.03334	92.5
94.03650	2.4
96.95892	5.3
97.06461	1.7
99.04409	1.6
101.02319	7.0
107.04897	1.2
109.02870	1.1
111.26474	0.9
113.02299	1.1
119.04914	10.3
121.02795	0.9
125.02315	1.4
134.03598	0.9
135.04445	10.1
137.02342	100.0
138.02623	4.0
139.11165	1.5
163.03923	12.2
167.10721	2.2
173.04420	1.1
179.03354	1.0
181.04984	21.6
182.05305	1.0
183.10190	1.4
191.05527	3.1
209.11743	2.6
225.11313	1.8
225.14905	3.8
227.12851	17.2
233.11842	1.1
251.12764	1.5
269.13916	5.4
273.17035	1.9
287.14996	9.5
311.14963	1.3
329.15994	1.9
371.17212	2.0
371.24380	0.9
431.19324	8.3
436.99545	1.0
500.31424	1.1
509.20255	1.7
551.21222	3.6
569.22351	54.2
570.22803	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	568.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32288	0.7
56.84864	0.6
59.01252	24.3
71.57189	0.8
75.00747	1.7
78.95776	19.7
91.36248	0.7
91.98439	0.7
96.95900	0.8
136.23819	0.7
141.23015	0.6
152.99449	4.2
168.04251	3.7
180.71298	0.7
208.64549	0.7
224.06873	8.6
242.07999	1.7
255.23340	3.4
269.24844	100.0
270.25192	9.5
277.22238	0.7
368.45428	0.7
423.72147	0.8
465.84552	0.7
494.32510	62.6
495.32925	9.5
561.29541	0.8
569.30188	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	568.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	5.2
59.01250	22.7
60.01569	0.8
69.47258	3.4
69.47686	1.5
71.01252	4.3
72.00771	0.6
72.04408	4.9
73.02810	1.6
74.02338	10.2
83.01228	0.8
85.02818	1.4
86.05976	1.2
87.00737	0.9
89.02303	1.1
93.03338	4.5
96.95893	6.4
101.02306	1.9
107.04919	3.5
108.04385	0.7
109.06490	0.8
113.02305	1.9
119.04904	12.5
121.02851	0.6
122.05998	1.3
123.03146	1.3
124.03910	1.6
124.07554	1.2
132.04424	1.3
134.06007	9.1
136.07578	2.0
138.05507	6.5
139.11160	1.1
146.06001	2.2
151.00224	0.9
152.07021	0.6
153.01828	0.9
162.05495	2.2
163.03914	9.0
164.10661	0.7
168.17499	0.5
171.10143	1.5
173.04453	0.6
179.03549	0.6
180.06586	26.4
181.06917	1.4
181.12260	1.1
182.04509	0.6
183.10136	1.0
184.06093	0.7
184.07614	0.6
184.10547	0.7
191.05576	2.7
192.10208	2.2
220.13396	2.0
222.11317	1.1
232.13371	2.1
238.14397	6.2
240.12320	5.8
243.12361	1.4
244.13388	7.7
253.13492	1.6
264.12314	1.5
274.18185	1.4
279.11502	1.3
281.12939	8.6
282.13345	0.9
282.18536	0.8
284.16498	2.4
289.00095	0.6
300.19666	4.6
302.17554	5.2
311.60266	0.6
320.10330	0.6
326.17554	1.8
339.13400	0.9
341.14896	2.9
342.55804	0.5
344.18631	8.6
345.19037	0.8
346.16571	29.3
347.16821	3.4
370.16443	1.5
385.42926	0.6
388.17670	5.6
389.17459	0.6
397.13284	0.7
406.18680	26.0
407.18921	2.8
419.16046	0.6
464.18158	0.9
480.22141	0.7
489.62204	0.6
506.19339	2.0
508.21878	6.3
509.22061	1.0
524.20294	5.4
524.27795	2.0
525.20740	0.8
550.22882	7.4
551.23035	1.1
568.23926	100.0
569.24304	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	568.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26216	2.5
57.48354	2.4
59.01247	10.8
61.98700	17.0
71.01260	4.6
72.38196	3.0
96.95919	3.6
112.25089	2.7
114.91137	2.6
123.00785	2.9
139.00261	3.2
151.00342	7.9
163.00293	3.2
163.03979	3.6
173.09151	3.1
177.01939	2.8
178.99835	5.9
194.00858	3.1
196.26436	2.7
215.52386	3.3
226.02536	3.0
227.03511	4.4
229.82735	3.0
243.02939	7.8
254.02287	3.0
255.02998	25.8
271.02463	56.0
300.02731	86.0
301.03445	26.5
303.24075	3.3
463.08618	4.1
505.09891	100.0
505.17319	5.0
506.10098	11.8
524.20313	8.4
552.12573	2.8
569.11603	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	568.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33759	0.5
59.01250	47.7
60.01572	0.9
60.88371	0.6
61.30480	0.5
64.44028	0.6
69.79443	2.5
71.01259	3.7
73.02856	0.6
75.71993	0.6
78.95794	1.0
80.04942	0.9
81.03346	0.5
85.02862	0.7
93.03319	1.4
94.06496	1.9
95.04918	0.6
96.69409	0.5
96.95889	3.9
101.02331	0.9
106.06509	6.4
110.02370	2.3
112.03931	10.3
118.06540	1.3
119.04887	0.6
120.08100	1.0
122.04565	0.6
122.05995	6.4
123.03144	15.5
124.03938	16.4
132.04440	8.6
133.77339	0.6
134.06009	100.0
135.04420	1.4
135.06334	3.2
136.07521	1.0
138.05499	62.4
138.86140	0.6
139.05864	1.9
140.07101	3.9
142.76320	0.7
144.04449	0.8
146.04861	1.4
146.06017	24.0
147.06619	0.5
148.07607	2.8
152.07079	3.8
158.05966	0.8
160.03922	0.8
160.07545	3.1
163.03888	1.0
165.04187	0.7
166.05022	4.1
176.07089	0.7
178.04970	0.8
178.08594	0.7
180.06580	4.4
182.04520	6.3
183.05284	2.8
184.06082	14.2
184.07544	0.5
191.05502	2.5
194.08209	1.5
208.09712	1.2
212.10736	1.3
215.04361	1.5
222.07643	1.4
223.08781	2.1
228.10201	1.0
237.10246	1.6
238.10930	1.1
239.11867	1.6
245.09323	2.1
251.08304	1.1
251.11781	1.6
253.13423	13.7
254.13760	1.1
255.11362	4.4
265.09836	1.0
266.10516	1.1
267.11322	4.5
268.11749	0.8
273.12424	1.8
279.11392	15.4
280.11865	1.1
281.12946	87.0
282.13223	7.4
285.12634	0.7
297.12360	0.9
299.10492	1.1
299.14035	2.7
307.10858	2.4
317.11368	1.1
339.09833	1.1
339.13489	11.7
340.13995	0.9
341.15045	40.7
342.15323	4.0
346.16629	1.3
367.12933	3.5
374.18921	1.4
385.14029	1.9
392.16174	5.8
402.18051	3.0
403.17197	0.6
404.16183	1.3
406.18762	4.6
420.19272	5.8
421.19470	1.0
446.17337	3.8
452.18280	5.4
453.17834	0.8
462.20355	4.0
464.18170	8.7
465.18857	1.2
480.21481	6.6
481.21613	1.4
482.19470	1.5
506.19302	24.8
507.19608	4.1
508.22342	1.0
518.86395	0.7
524.20325	50.2
525.20728	8.5
568.24341	4.1
569.24231	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	567.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07283	1.0
59.01249	2.2
63.96096	1.2
69.46172	9.1
71.01256	8.3
72.99171	1.3
73.02814	2.1
75.27213	1.0
78.95770	5.3
78.98477	5.3
79.95589	9.8
80.96387	74.8
85.02827	3.1
87.00743	3.7
94.97960	14.7
96.95898	1.7
97.02824	1.5
99.00704	1.0
101.02309	3.8
106.97961	3.4
122.97458	6.7
125.02309	3.5
127.03844	1.4
134.97469	5.1
136.99034	1.8
148.99025	6.7
152.98499	8.0
152.99451	0.8
164.98544	12.8
167.00058	1.7
168.88028	1.1
171.35880	1.0
182.99599	3.6
191.05554	1.5
199.03940	1.0
206.99594	3.4
225.00696	17.9
243.01779	4.3
255.23193	2.4
267.23224	4.0
299.04306	2.8
421.20914	1.1
425.03027	1.1
449.87732	1.1
493.30981	1.5
536.99414	1.3
567.28418	100.0
568.28772	19.8
568.36700	0.6
570.86804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.5
57.03320	1.1
58.00474	0.7
59.01248	7.2
61.98690	0.7
70.60588	0.2
70.64314	0.7
71.01246	5.0
71.04898	0.2
72.99192	0.6
73.02827	3.8
78.95748	0.3
81.03339	0.4
83.01265	0.6
83.04889	0.7
85.02808	2.3
87.00761	0.5
87.04394	3.3
89.02319	1.1
93.03329	0.6
95.01210	0.3
95.04911	0.7
96.95888	0.5
97.02821	0.8
101.02319	2.8
109.06455	0.6
111.04391	0.3
113.02334	1.2
119.03414	0.3
119.08517	0.4
120.05679	0.2
121.06498	0.3
122.03628	0.3
123.08076	0.5
125.02266	0.3
125.05994	0.5
135.04390	0.9
135.08043	4.0
136.05212	1.5
136.08337	0.4
137.09618	14.5
138.06737	1.5
138.09961	0.8
139.07558	0.5
139.11165	0.7
147.07996	0.3
151.07545	1.8
151.11185	0.5
152.08331	2.0
153.09120	4.0
155.10681	76.9
156.11012	3.6
161.09641	0.8
163.07613	0.3
163.11230	1.7
169.12262	2.4
173.04465	0.7
179.10683	0.6
181.08630	3.5
184.00500	0.2
190.09831	0.4
191.05568	1.0
191.10616	0.5
197.11795	0.3
199.09685	19.5
200.04660	0.3
200.10072	1.2
205.12271	6.2
206.12654	0.4
209.11873	0.4
213.11230	2.1
223.13373	0.7
229.08722	0.3
241.10796	5.0
283.11829	0.4
301.12881	0.6
361.15045	0.3
470.11911	1.0
507.35437	0.7
567.28094	100.0
568.28424	18.6
568.35040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
55.28269	0.4
57.03317	1.6
58.00468	0.9
59.01250	82.5
60.01604	0.9
67.07164	0.4
67.94373	0.4
69.03317	0.7
69.20644	0.4
71.01250	18.7
71.57959	0.4
72.99175	1.3
73.02815	10.2
75.00747	0.5
81.03333	1.1
83.01247	3.2
83.04881	0.6
85.02821	8.7
87.00751	2.2
87.43518	0.5
88.18833	0.4
89.02312	11.8
91.01838	0.4
93.03355	1.3
95.01266	1.3
95.04879	0.5
96.95889	8.1
97.02847	0.8
97.06464	0.8
99.00781	1.3
99.04375	3.0
101.02323	13.9
103.03891	1.9
109.02860	0.7
109.06512	0.4
111.00758	0.6
111.04359	0.4
112.03926	0.4
113.01595	0.8
113.02325	7.5
115.03827	0.7
116.92748	0.6
117.05483	1.1
119.03383	5.0
121.02847	1.3
123.04379	0.6
125.02297	0.7
131.03386	1.1
134.06017	3.8
135.04411	1.0
135.06522	9.5
135.56343	0.5
137.02333	0.8
138.05501	2.2
139.11165	2.4
143.03409	1.3
146.06006	1.0
149.04431	0.7
151.03877	0.5
152.07100	0.5
159.06526	0.6
161.04428	2.7
165.05464	1.2
165.12767	1.2
173.04555	0.6
177.05476	0.6
177.07610	1.1
179.03383	0.6
179.05525	1.2
179.07014	0.5
181.12216	1.1
183.10205	3.3
189.12823	0.8
191.05531	2.3
201.07651	1.2
205.07167	0.5
207.13867	1.7
209.11758	4.9
210.12300	0.5
225.11366	0.9
225.14891	4.0
226.15210	0.8
227.03578	0.4
227.12830	23.6
228.13216	1.4
233.11871	0.5
243.12291	4.3
251.12894	0.7
267.11639	0.5
269.13861	2.4
279.10849	4.9
280.11444	0.5
281.12927	2.7
285.13214	0.5
287.15012	1.2
297.11911	7.2
339.12970	2.5
341.15024	1.1
361.16653	1.7
362.16937	2.2
363.17215	2.8
387.16550	0.8
387.23840	0.4
405.17648	0.7
447.18802	1.2
506.19131	0.9
523.27905	0.9
524.20251	1.7
524.27606	0.4
531.24615	0.6
549.25439	7.8
550.25891	0.6
567.26654	100.0
568.26996	12.9
589.28632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	1.0
59.01254	10.7
60.01608	0.4
61.98724	0.6
71.01254	3.1
71.21213	0.5
73.02821	2.5
74.63446	0.2
78.95813	0.7
80.96523	0.2
83.01259	2.8
85.02847	1.2
87.00757	0.5
87.04423	0.6
89.02332	0.4
91.05496	0.3
93.03323	1.6
95.04916	0.4
96.95932	0.7
99.00785	0.3
101.02332	2.5
107.04934	1.1
108.02074	0.8
108.04489	0.3
108.27501	0.2
109.02878	1.0
109.06446	0.3
110.03194	0.3
111.00725	0.3
113.02341	0.9
115.91989	0.7
116.92765	0.3
117.03397	0.3
123.04406	0.3
125.02385	0.6
134.03653	3.4
135.04417	100.0
136.03818	0.4
136.04761	3.9
137.02341	0.7
137.09636	0.3
139.11168	1.7
152.01091	0.3
153.01881	0.9
155.10660	0.6
161.04471	0.4
163.03896	0.3
164.04654	0.3
167.10759	0.4
169.12292	0.8
173.04489	0.6
178.02606	0.3
179.03424	71.7
179.10689	0.8
180.03755	2.9
181.12233	0.6
183.10211	4.6
183.43214	0.3
191.03792	0.2
191.05510	1.2
197.08308	0.3
197.11699	0.6
199.09676	0.4
199.13176	0.3
225.11269	4.4
225.14825	0.4
227.12866	1.6
231.10199	0.3
243.12352	4.5
244.12698	0.3
249.11252	0.6
263.12741	0.4
267.12402	1.0
285.13391	0.9
287.14874	0.7
291.12317	1.0
302.02322	0.3
309.13281	0.5
327.14459	1.5
328.14886	0.4
336.10004	0.3
362.29733	0.5
387.16626	7.5
388.16846	0.9
431.19162	0.7
495.93677	0.3
505.33276	0.4
506.34171	4.2
507.18573	0.3
507.34692	2.0
524.35187	1.5
525.35077	0.5
549.19263	0.3
567.20477	12.2
568.20966	2.0
577.43219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03397	0.3
57.03328	0.7
58.00470	0.4
59.01251	12.0
60.01566	0.4
60.99158	0.3
61.98703	0.7
69.03324	0.5
69.34042	0.6
69.34439	2.4
70.38763	0.3
71.01255	3.9
72.99201	0.4
73.02818	3.8
75.00736	0.4
78.95773	0.7
79.92258	0.3
81.03332	0.4
83.01256	4.2
83.22424	0.3
85.02814	1.8
87.00749	0.6
87.04395	0.7
89.02331	0.8
91.05387	0.3
93.03350	0.8
95.01289	0.3
96.95892	1.0
97.02825	0.4
99.00752	0.6
101.02316	2.5
106.04096	0.3
107.04919	0.7
108.02061	1.5
109.02835	1.5
113.02323	1.2
114.02657	0.3
115.91978	0.4
117.03353	0.3
119.03373	0.4
119.04912	0.7
123.04391	0.5
125.06019	0.4
133.02800	0.3
134.03648	3.3
135.04416	100.0
136.04745	4.1
137.02289	0.5
137.09636	0.5
139.07529	0.3
139.11195	3.7
149.02377	0.2
151.11214	0.3
152.01056	1.2
153.01871	1.5
155.10625	0.6
161.04538	0.5
161.05862	0.3
163.03943	0.5
163.11209	0.4
165.09108	0.4
167.10710	0.3
167.77655	0.3
169.12260	1.1
171.10155	0.4
173.04485	0.7
179.03423	10.1
179.10742	0.9
180.03725	0.6
181.12289	1.6
183.10176	5.6
184.10715	0.3
191.05522	1.2
195.13661	0.3
197.11794	1.0
199.13356	0.4
207.10333	0.3
225.11292	5.8
225.70016	0.3
226.11569	0.3
239.12830	0.3
243.12352	4.7
249.11292	0.9
265.15756	0.3
267.12424	1.0
285.13480	0.6
291.12415	1.1
309.13364	0.4
327.14554	1.6
330.23676	0.5
362.29926	1.0
387.16531	3.6
388.16998	0.4
394.35199	0.3
454.14557	0.3
461.52643	0.3
463.19812	1.2
505.21036	1.1
505.33817	0.3
506.34109	1.9
507.34579	1.0
523.21838	24.8
524.22266	3.9
524.34753	1.3
525.34991	0.4
567.20135	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	565.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97856	16.3
59.01245	100.0
71.57777	28.2
78.95776	35.8
104.15256	17.1
116.24425	14.7
116.26892	13.7
116.91227	20.0
137.09612	45.8
168.81094	17.8
173.04449	28.2
210.01921	15.9
227.05917	18.3
269.07043	45.9
293.21262	25.1
295.08627	19.8
309.09930	16.7
347.15570	18.6
406.65359	16.4
478.76364	21.6
565.28088	30.7
570.36768	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	565.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71780	0.2
55.01763	1.6
57.03320	5.3
58.00466	0.9
58.04256	0.3
59.01251	100.0
60.01578	1.6
61.01675	0.3
61.98698	1.0
67.01774	0.6
68.99704	0.4
69.03322	1.8
69.36343	2.8
71.01254	24.5
71.04886	0.4
72.01604	0.7
72.99178	1.7
73.02819	7.2
75.00734	0.5
78.95788	0.9
81.03342	0.9
83.01260	6.7
83.04889	0.4
85.02822	14.8
85.99953	1.4
86.03216	0.4
87.00755	3.3
87.04382	1.6
89.02319	4.2
93.03341	2.8
93.42188	0.3
95.01273	3.3
96.95890	3.7
97.02830	1.9
97.06488	1.0
99.00760	3.5
99.04420	0.3
101.02325	16.9
102.02721	0.3
105.03342	0.3
107.04892	0.5
108.02036	1.3
109.02850	6.8
109.06502	0.5
111.00765	2.2
111.04383	0.5
112.01559	1.3
113.02335	12.1
113.09586	0.4
114.02657	0.4
115.03896	0.8
119.03407	1.2
119.04900	0.8
121.02863	1.1
122.06062	0.3
123.04418	1.9
123.08017	1.5
124.01556	0.9
125.02334	3.1
125.09621	0.6
127.11184	0.4
129.01836	1.1
129.09132	0.4
133.02878	0.6
134.03690	0.3
134.06026	1.9
135.04437	2.2
135.08031	0.5
135.23326	0.2
137.02353	1.3
137.09535	0.3
139.03850	0.4
139.11182	0.3
141.09114	0.7
141.12735	1.5
143.03412	3.2
143.10695	0.7
143.38593	0.3
145.02744	0.3
145.57298	0.3
151.03999	0.3
151.11208	0.4
152.01079	1.1
152.99669	0.3
153.01848	8.7
153.05492	1.6
153.09068	1.4
153.88698	0.3
155.03285	0.3
155.10704	0.5
155.14392	0.4
157.12241	0.3
159.02863	1.7
159.04419	0.3
161.04486	3.9
163.03853	0.6
163.07600	0.3
164.04694	2.0
169.12244	1.0
171.13834	2.6
173.04489	2.4
173.11731	0.5
174.04774	0.6
175.05054	0.4
177.01845	2.4
179.03441	1.4
179.05498	0.6
179.06908	1.7
180.06583	0.5
181.12245	0.4
185.15439	0.3
187.13289	1.5
191.05557	3.7
192.05865	0.8
197.08139	0.7
199.13359	0.6
200.14041	0.7
201.11151	0.4
201.14874	3.0
209.11832	0.4
211.13284	0.4
215.16505	0.8
217.14285	0.6
234.41577	0.3
239.11832	0.4
250.54002	0.3
272.22946	0.3
277.21619	0.4
283.10913	1.1
295.10608	0.4
297.24402	0.4
307.08218	0.8
313.27307	0.4
315.25513	1.1
341.26785	0.5
343.28546	2.1
344.28424	0.3
359.27972	2.8
360.28470	0.8
361.29587	19.1
362.29947	1.7
373.15930	0.6
385.29697	1.5
385.45099	0.3
391.17148	0.6
403.30423	1.3
431.30212	0.6
457.31744	0.9
458.31741	0.3
459.30087	0.3
469.31918	0.5
475.32724	1.0
487.32678	0.6
490.19604	0.4
503.32254	0.7
504.32919	0.8
505.33813	94.2
506.34131	13.9
521.18878	0.4
523.34857	28.5
524.35162	4.5
534.18744	0.7
547.20282	0.4
565.21906	2.5
565.36304	1.8
566.21289	5.3
566.28912	0.6
566.36530	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	100.0
61.98690	59.1
66.06303	18.7
68.27628	16.3
71.01263	19.8
71.57372	25.2
76.26340	17.2
78.95766	39.9
84.67027	18.0
93.98534	17.0
96.95906	29.1
102.94734	18.3
105.67728	23.7
217.00246	44.7
235.16742	20.1
253.09332	34.3
273.37381	18.5
275.20154	30.4
291.19516	21.2
293.21124	62.5
299.04605	33.9
479.93723	20.8
565.27881	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57582	22.9
59.01248	94.5
59.20190	23.4
71.01228	28.1
71.28899	39.5
78.95777	33.9
96.95897	37.2
105.57912	22.1
117.87402	23.9
133.26015	22.6
169.69464	22.8
217.00229	34.2
253.09343	58.5
284.34421	23.8
293.21210	86.9
311.95990	26.9
352.45422	22.2
419.31332	28.5
565.27863	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	565.2295
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
55.01762	2.0
57.03327	3.4
58.00465	1.3
59.01249	40.8
60.01585	0.6
61.98701	1.0
67.01751	0.4
68.99694	0.5
69.03326	1.5
70.82761	1.0
71.01252	24.5
72.01560	0.4
72.99180	3.5
73.02817	7.3
74.02385	0.4
75.00758	0.5
78.31801	0.4
78.95772	0.9
81.03342	0.6
83.01255	3.5
83.04932	0.4
84.02065	0.6
84.41035	0.3
85.02822	15.8
85.99969	0.6
86.03160	0.4
87.00745	3.4
89.02316	5.5
93.03340	2.6
95.01261	3.5
95.04922	0.3
96.95876	3.8
97.02820	1.6
99.00761	2.3
99.04428	0.4
99.48074	0.3
101.02319	9.5
108.02061	1.4
109.02836	7.0
111.00780	0.9
111.04402	0.8
112.01539	0.8
113.02325	11.6
119.03400	1.4
119.04906	2.1
121.02841	15.8
122.03632	12.1
123.00759	0.5
123.04451	3.7
124.01554	2.2
125.02338	2.1
129.03329	0.7
134.03618	1.3
135.04401	4.3
136.05185	2.0
137.02336	4.2
137.05981	0.6
138.03104	0.4
143.03391	1.2
146.03639	0.9
147.04420	10.0
148.05228	0.8
149.05957	2.0
150.03093	1.1
151.00273	1.0
151.03871	0.7
152.01016	0.4
153.01843	0.7
154.02614	3.0
155.10692	0.4
159.02968	0.3
159.04431	0.8
160.05196	1.1
161.02383	0.7
161.04543	0.8
161.05978	6.6
162.06747	2.0
162.98242	0.3
163.03905	2.7
163.07530	0.7
164.04631	0.9
165.05482	25.3
166.02669	1.1
166.05820	1.2
168.04146	0.5
168.84283	0.3
173.04559	0.7
173.06015	1.6
174.06735	1.3
175.03873	0.6
175.07570	1.8
176.04701	0.7
176.08350	0.7
177.05473	0.9
178.06306	0.7
179.03433	0.5
179.07039	6.4
181.04994	1.3
187.07623	0.4
189.09167	0.6
190.06296	0.9
191.05547	1.6
191.07089	2.8
192.07811	0.7
193.08626	1.1
205.08612	0.7
208.07295	0.4
209.08151	0.7
223.09724	0.6
240.07556	0.4
270.09232	0.4
271.05951	0.4
283.09735	0.7
297.11328	0.8
298.12119	2.6
299.12677	0.9
301.10672	0.4
311.12885	0.9
313.10892	0.4
313.14432	7.3
314.14679	0.5
315.12500	2.1
316.13083	1.1
325.14679	0.3
327.12402	0.9
328.13110	3.8
329.13818	1.7
331.15402	0.8
343.11398	0.6
343.15491	10.3
344.15814	1.1
345.13232	0.5
346.14194	9.3
347.14828	2.7
361.16550	57.6
362.16855	7.4
373.16153	0.4
388.11963	0.3
403.13412	2.0
403.18335	0.6
417.19379	0.6
431.16925	0.4
445.18451	0.4
457.18573	0.4
475.19788	1.7
490.17935	0.6
505.20773	100.0
506.21121	16.0
521.26410	0.5
523.21832	41.1
524.22131	5.7
565.22675	3.5
565.30273	0.5
566.22626	0.9
590.31824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.0
61.21978	0.6
61.98685	2.8
66.70500	0.7
70.23623	1.6
70.24023	1.0
78.95770	22.9
96.95889	3.1
102.75446	0.7
133.46776	0.7
152.99536	4.1
160.97868	0.7
168.04216	3.0
224.06891	8.4
242.07906	3.0
279.23267	100.0
280.23581	8.8
348.22662	0.7
420.01718	0.9
504.30923	66.8
505.31393	8.4
565.26501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	2.7
63.86064	0.7
63.96108	1.1
69.03320	0.8
71.01254	9.1
71.57036	1.5
73.02831	2.0
76.20664	0.8
78.95762	1.4
78.98458	6.5
79.95609	10.3
80.96390	76.6
85.02801	4.4
87.00741	3.3
87.74554	0.7
94.97373	1.3
94.97961	19.2
96.95879	1.8
97.02842	1.3
99.00733	1.0
99.04388	0.8
101.02315	3.4
106.97961	3.1
113.02235	0.9
122.97459	4.9
125.02357	4.8
134.97432	4.6
136.99040	2.0
148.91393	0.8
148.99042	6.3
152.98550	6.1
164.98566	11.6
182.99605	2.3
191.05493	1.1
206.99622	2.8
225.00677	17.3
225.02731	1.4
242.40489	0.8
243.01707	1.3
263.20181	1.7
299.04474	2.5
563.25287	100.0
564.25592	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	562.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15901	0.5
51.67731	0.6
54.53444	0.5
59.01238	1.6
71.01246	0.8
78.95773	11.6
84.30901	0.6
85.06467	0.9
85.93094	0.6
91.03834	0.6
93.03309	0.6
139.64191	0.6
140.01086	2.8
152.99483	1.2
165.12727	1.3
171.10168	0.7
196.03690	2.1
199.13332	17.7
200.13622	0.7
214.04782	3.4
279.19653	7.1
280.20035	0.7
281.95227	0.7
347.25900	6.3
348.26266	0.6
365.26947	100.0
366.27264	12.9
562.31500	20.1
563.31787	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50303	2.4
57.03326	3.3
59.01257	15.8
65.00201	5.3
65.99713	3.2
70.07706	9.8
71.01260	9.5
71.61419	2.5
73.02821	9.2
73.03195	2.3
79.16361	2.5
79.93176	2.7
83.01266	5.1
87.00755	10.6
93.03355	7.3
101.02299	4.6
107.01283	9.2
109.02842	15.4
111.00719	3.7
111.04421	3.5
121.02825	6.4
123.00768	6.2
124.01568	3.4
125.02344	5.8
133.02840	4.5
134.02368	7.5
135.00780	4.5
137.02341	17.3
146.02512	2.7
147.00774	4.2
148.01570	27.0
149.02322	13.4
150.03122	3.5
151.00290	23.1
152.01051	7.3
153.01886	4.6
158.02213	3.6
161.02390	6.1
162.01889	22.0
163.00311	7.5
163.02620	3.9
163.03937	6.4
164.01039	3.8
164.03444	12.2
166.99736	5.4
173.04518	9.7
175.00288	7.0
176.01036	4.8
176.03455	2.7
177.01857	52.8
178.99811	16.1
186.01910	9.7
187.03955	4.0
189.01854	3.4
190.01353	7.3
191.02068	5.9
191.05493	16.9
193.01376	4.2
197.02438	3.3
199.03938	4.5
201.01820	3.3
202.01355	3.4
202.99809	7.8
203.02122	7.3
204.01161	4.8
204.02956	43.2
215.03474	8.2
217.04924	3.2
225.01924	3.6
227.03447	8.2
230.00832	15.7
242.02197	2.8
243.02921	9.0
245.04585	4.5
255.02968	5.3
259.02414	3.4
269.01016	7.8
271.02490	32.2
272.03073	12.3
273.03793	6.1
283.13519	4.4
285.04001	4.8
287.02014	5.6
288.02676	5.8
289.03479	3.4
294.04105	7.0
295.02487	6.0
296.05563	3.0
299.01941	47.9
300.02493	14.1
311.12991	7.3
312.01953	4.1
313.03607	10.7
314.04022	4.5
316.02191	25.8
317.02954	24.4
322.03583	21.8
327.16299	5.3
339.03876	25.0
340.00986	12.5
340.04608	44.0
341.04929	4.3
353.08746	7.3
357.04764	19.7
358.05682	10.2
371.14948	12.5
385.07858	4.3
397.07678	8.4
426.10425	34.0
452.08405	26.3
504.09644	5.1
505.09857	3.3
521.09552	23.3
522.09937	3.3
544.10962	34.5
545.11322	5.4
545.20380	4.4
562.12024	100.0
562.20886	4.9
563.12616	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	561.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.5
55.14215	0.3
57.03325	0.7
58.45352	0.3
59.01247	13.3
67.01740	0.4
70.13731	1.6
71.01248	5.5
72.54934	0.4
73.02821	2.9
79.95634	0.4
83.01262	1.3
83.04887	0.4
85.02831	3.1
87.00755	1.1
89.02319	2.1
93.03320	2.4
95.01267	0.7
96.95889	1.9
97.02834	0.4
99.00761	0.4
99.04416	0.7
101.02312	4.1
108.02042	1.8
109.02842	1.6
111.00773	0.4
111.04436	0.8
113.02314	2.4
119.03420	0.7
121.02844	5.1
122.03613	2.9
123.00750	0.6
123.04429	0.9
124.01524	0.7
125.02331	0.5
127.03936	0.7
129.01884	0.4
133.02864	0.7
134.03622	1.1
135.04388	1.1
136.01555	75.1
137.02211	2.7
138.03113	0.7
149.05960	0.5
151.03908	100.0
152.01080	0.4
152.04263	4.1
154.02643	0.4
155.03416	0.4
159.04369	0.8
160.05202	1.3
161.02351	1.0
161.04468	1.6
161.05826	0.5
162.03114	1.4
163.03868	1.2
173.04474	2.1
175.03847	0.9
175.07579	1.1
177.01817	1.1
177.05473	1.2
178.02663	0.8
179.03392	0.8
187.03934	0.5
188.04707	0.5
189.03900	0.8
189.05481	0.8
191.05530	5.7
192.05759	0.4
193.04944	1.0
205.05031	0.4
207.05107	4.1
229.26674	0.3
267.06491	0.4
271.02466	0.4
296.10614	0.5
299.16299	0.4
300.02667	0.5
311.12860	0.8
312.85315	0.4
342.11005	3.9
343.11752	0.6
351.06842	0.5
353.06641	0.5
353.13974	0.8
354.07019	0.7
355.07022	0.7
357.13406	73.8
358.13745	9.2
369.09558	0.6
369.13687	0.5
387.14639	0.5
432.45953	0.4
447.08679	0.4
501.30771	2.9
519.31750	0.8
561.14923	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	559.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97921	0.4
55.01754	1.1
57.03316	2.1
58.00475	1.7
59.01249	100.0
60.01589	1.4
61.98699	1.0
63.57695	0.4
67.01788	0.4
69.03331	1.2
71.01253	39.9
71.04865	0.5
71.58645	0.9
72.01613	0.5
72.49878	0.4
72.99191	2.1
73.02814	10.0
74.02352	0.5
74.66808	0.4
75.00769	1.0
79.95615	0.5
81.03322	0.7
81.06959	0.6
83.01243	3.8
83.04897	2.4
84.02039	0.6
85.02822	12.2
87.00753	5.9
87.04390	2.9
87.23099	0.4
89.02315	25.6
93.03339	3.9
95.01270	3.7
95.04913	0.9
96.95875	2.3
97.02826	1.0
97.06467	2.4
97.86019	0.5
99.00758	3.2
99.04405	0.7
101.02319	22.5
101.05965	0.6
102.02690	0.7
107.01256	0.5
109.06487	1.6
111.00754	0.7
111.04408	1.4
113.02328	29.2
114.02634	0.7
115.03884	0.4
115.07486	0.7
116.68835	0.4
116.92756	0.7
119.03387	12.5
119.04804	0.7
124.01540	0.5
125.02367	2.1
125.06010	0.4
127.07484	0.4
129.01852	0.6
131.03406	2.0
132.15208	0.4
133.02858	2.0
135.04460	0.9
135.11717	0.5
137.02342	4.4
137.09592	0.5
143.03412	4.7
149.04446	1.9
149.09592	2.5
151.00266	1.4
152.00937	0.4
155.03391	0.7
155.10657	0.5
158.03636	0.6
161.04456	10.3
161.13251	0.6
163.03842	0.4
163.11189	0.5
167.10689	1.8
171.10184	0.5
173.04453	5.4
177.01866	4.2
178.04829	0.7
178.99776	0.9
179.03369	0.5
179.03760	0.5
179.05528	9.6
179.25206	0.4
185.11769	1.1
186.03156	1.5
187.03891	0.4
187.07570	0.8
191.05542	7.1
191.07121	0.7
198.03085	0.5
207.10249	0.8
214.02654	4.8
215.07127	0.7
218.02177	0.5
225.05550	0.7
225.08899	0.4
241.01387	4.9
242.02168	8.8
243.02626	1.0
245.00943	4.5
253.09398	1.9
253.11909	0.4
255.02956	0.5
269.98898	0.9
270.01666	12.4
271.02316	3.2
277.18158	0.6
287.16556	1.5
297.04108	0.7
297.07507	0.7
298.01135	5.7
299.01941	3.0
300.02518	0.7
303.14511	1.1
305.17639	2.5
311.05533	1.2
312.02606	0.5
312.06100	0.4
321.15479	0.9
325.07181	1.5
329.16016	4.9
337.23773	0.6
339.05014	0.5
339.08780	1.0
341.13998	0.5
347.16861	0.5
353.06674	3.7
353.13947	1.7
354.06821	0.8
355.24881	3.5
367.04120	0.5
367.08127	1.5
367.12051	0.8
368.08969	0.4
385.12521	1.9
385.17419	1.0
385.21973	0.8
396.08444	8.5
396.53598	0.4
397.09061	3.8
398.09436	0.5
411.23697	0.9
429.24893	1.8
499.29147	22.2
500.29654	3.2
517.30145	15.0
518.30798	2.3
527.19379	0.7
531.14630	0.5
541.26434	0.6
559.14520	32.9
559.31647	5.1
560.14825	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	559.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41478	0.7
59.01248	18.0
59.54037	0.6
61.98707	4.8
66.57216	0.8
71.01262	3.6
73.02806	1.0
76.48550	0.7
78.95776	1.7
85.02839	1.0
89.02299	2.7
101.02312	3.8
113.02312	1.5
119.03379	1.2
161.04463	1.2
182.65982	0.7
214.21062	0.7
235.08142	2.7
245.90199	0.8
253.09218	14.7
263.20145	100.0
264.20535	7.7
277.21707	3.9
278.65997	0.7
284.76071	0.9
474.26242	2.2
507.65042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45647	0.6
58.32374	0.5
59.01251	1.2
61.54678	0.5
63.96103	0.8
69.49245	4.0
69.49646	0.7
71.01249	5.6
73.02811	2.4
74.05264	0.5
78.98475	5.0
79.95613	9.2
80.96390	59.4
81.03310	0.8
85.02831	3.3
87.00755	1.8
94.97964	13.7
96.95889	1.4
101.02323	2.4
105.67479	0.6
106.97963	2.2
122.97475	4.1
125.02356	2.6
130.71271	0.5
134.97484	3.7
136.99068	1.1
148.99049	4.3
152.98544	6.4
164.98537	8.8
172.87823	0.6
182.99593	2.4
206.99626	2.4
209.11740	2.9
225.00696	14.6
243.01804	1.2
270.00052	0.5
299.04471	1.6
527.18457	1.4
559.20660	100.0
560.20892	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	559.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05268	0.4
53.25589	0.4
57.03332	0.5
58.98154	0.5
59.01241	4.4
63.96103	1.2
69.03324	0.7
70.40887	0.4
71.01250	6.8
71.34350	0.9
72.99196	0.5
73.02816	2.4
78.98460	4.7
79.95610	7.8
80.96391	54.1
81.03326	0.8
82.35616	0.4
83.01265	0.6
83.04904	0.6
85.02826	3.4
87.00770	2.8
89.02334	0.7
93.03327	1.2
94.97964	12.9
96.95898	3.4
97.02834	1.3
99.00758	0.7
101.02307	3.1
106.97984	2.5
109.02797	0.5
113.02349	1.2
115.00277	0.5
122.97482	2.6
125.02340	2.7
127.03908	1.0
134.97470	3.5
135.04411	0.9
136.99045	1.2
137.02350	0.6
143.03339	0.5
145.29707	0.4
148.99048	5.4
150.33635	0.5
151.00322	0.7
152.01070	0.7
152.98547	5.1
164.98537	10.8
173.04475	0.9
175.02428	0.6
178.99883	1.0
191.03479	3.8
191.05365	3.0
201.11426	0.4
206.99660	2.8
209.11850	2.9
225.00688	17.8
299.04495	2.3
353.06638	3.8
361.07538	0.5
527.18311	2.7
559.20764	100.0
560.21106	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	559.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56478	0.6
57.03319	0.7
59.01252	14.8
61.93499	0.6
63.02283	0.8
65.00189	1.3
67.01756	0.6
69.27315	6.6
71.01260	4.0
73.02816	2.2
79.95605	0.6
83.01262	1.7
85.02831	2.6
87.00766	1.5
89.02310	1.8
93.03337	1.5
95.01296	0.7
96.95898	1.1
98.99594	0.6
101.02322	3.5
107.01262	2.1
109.02823	0.9
113.02325	2.0
119.03329	0.7
125.02338	1.5
135.04454	1.1
143.03371	0.8
145.02802	0.6
151.00290	6.5
152.01064	1.1
158.03638	1.7
159.04387	0.6
161.02379	1.4
163.00220	1.2
171.04457	1.1
172.01630	0.9
173.04459	2.1
173.05843	0.7
174.03232	0.7
175.04015	0.7
178.99783	4.5
183.04407	0.8
186.03149	4.4
187.03943	1.7
189.01862	1.5
191.05539	5.5
193.01227	0.8
198.03171	1.3
199.03976	6.0
201.01878	1.0
203.03412	0.9
209.11758	2.8
214.02666	14.3
215.03386	4.2
216.00763	0.9
226.02632	1.6
227.03487	5.2
236.57808	0.7
241.01384	10.0
242.02162	28.0
243.02921	10.8
244.03278	0.9
245.00854	8.7
255.02969	5.1
256.03430	0.8
269.00854	0.8
270.01697	25.6
271.02466	53.1
272.02921	4.5
273.00436	0.7
283.02588	0.9
285.03986	0.9
298.01187	7.9
299.01956	63.3
300.02594	19.8
301.03354	4.8
313.03656	1.7
314.04370	2.8
327.10089	0.8
336.10385	2.9
339.08701	2.6
355.24835	1.1
367.08292	3.5
368.08881	0.8
385.12997	1.1
396.08508	20.1
397.09143	6.4
454.14417	0.9
461.07278	3.4
462.07947	15.3
463.08612	2.7
499.29242	2.0
517.30267	0.7
559.14551	100.0
559.31097	6.5
560.14850	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	559.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01439	0.3
55.01726	0.4
57.03329	0.5
58.47992	0.3
59.01249	11.9
71.01260	3.2
71.14069	0.4
72.99147	0.5
73.02814	1.6
74.64999	0.4
78.95805	0.5
80.59193	0.3
83.01237	0.8
85.02810	1.5
87.00741	0.9
87.04362	0.3
89.02314	0.8
93.03324	0.8
96.95869	0.7
101.02342	2.0
113.02330	1.8
119.03391	0.6
119.04870	0.4
137.02248	0.4
151.00284	1.8
158.03659	1.7
161.02354	0.7
161.04454	0.6
170.03610	0.7
172.01572	0.9
173.04478	1.2
174.03191	0.4
177.01779	0.4
186.03149	6.6
189.01877	1.5
190.02605	0.8
191.03403	2.8
191.05501	1.5
198.03145	2.0
199.03827	0.5
201.01759	0.5
213.01788	0.7
214.02661	15.3
215.03055	1.4
216.00421	0.5
217.01472	0.5
218.02155	0.7
226.02620	1.0
237.71864	0.4
241.01387	21.4
242.02150	40.9
243.02591	3.3
245.00874	14.5
246.01260	1.1
255.02965	0.7
267.03070	0.4
270.01685	48.7
271.02313	10.3
272.02832	0.6
273.00421	1.1
281.04459	0.7
298.01178	22.7
299.01865	7.6
300.02652	1.3
307.06790	0.4
309.04044	0.7
310.04770	0.6
338.03906	0.4
339.08679	1.4
340.57101	0.5
367.08124	1.5
368.08786	0.7
396.08475	22.3
397.09146	7.8
398.09457	0.5
439.10275	0.8
462.07968	1.2
466.55682	0.5
499.29089	1.4
517.30011	1.1
519.51721	0.4
559.14545	100.0
559.31067	2.8
560.14868	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	559.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.3
59.01249	20.8
59.62714	0.4
60.54104	0.5
62.60406	0.6
63.02264	8.5
63.21445	0.5
65.00195	9.9
66.19426	0.5
67.01820	0.6
68.99683	0.7
69.03339	0.8
71.01252	7.5
71.58146	0.7
73.02812	3.0
81.03345	0.8
83.01256	10.2
85.02831	3.0
87.00756	1.4
87.04408	1.1
89.02320	4.3
91.01785	0.5
93.03339	1.8
95.01257	1.4
96.95870	2.3
99.00725	0.8
99.04387	0.6
101.02322	4.6
107.01267	20.3
109.02841	1.6
111.00761	1.1
113.02338	3.8
114.79716	0.4
119.03380	1.8
123.00748	1.0
124.01555	6.9
125.02337	15.0
133.02832	0.8
137.02315	1.4
139.00244	0.6
141.01877	0.9
143.03467	0.7
145.06639	0.5
151.00270	72.9
152.01074	18.0
153.01837	5.3
159.04401	1.0
161.02371	0.8
161.04462	1.9
161.05748	0.5
163.00299	1.1
163.03818	0.4
169.01340	13.0
172.46138	0.5
173.04478	2.5
173.06006	4.0
175.03943	1.0
177.01878	2.1
178.01353	0.7
178.99782	100.0
180.00136	5.8
181.01344	1.3
187.03964	1.4
187.07594	2.6
188.04715	1.1
189.05511	3.6
190.02667	0.9
191.03618	1.1
191.05574	3.2
193.01413	0.6
197.05954	0.8
197.87006	0.5
199.07542	2.4
200.04745	4.1
201.05469	1.7
202.06181	1.0
203.03494	0.6
207.06892	0.6
207.47308	0.6
211.03963	0.8
213.68663	0.6
214.02585	0.6
215.07079	25.2
216.07545	3.0
217.08621	4.1
219.06558	0.6
225.05467	2.1
225.09111	0.6
226.02679	1.2
226.06146	0.9
227.03450	0.9
227.07137	3.7
232.03700	1.3
239.03404	0.8
241.05031	3.1
242.02119	0.6
242.05797	1.9
243.02910	1.4
243.06549	3.4
253.05017	5.0
254.05698	1.6
255.02902	2.5
256.03589	0.6
265.04922	0.7
265.08636	0.8
267.06613	1.2
269.08200	1.4
270.05124	1.0
271.02518	6.1
271.06088	8.0
272.03357	0.6
272.06366	1.0
277.04965	0.9
277.08688	0.5
291.06674	1.0
292.07422	0.7
293.04855	0.7
293.08151	1.8
294.05521	0.6
296.03281	0.6
299.01953	2.4
300.02695	10.9
300.07770	0.6
301.03226	0.9
305.08130	0.8
307.09637	0.7
309.04102	0.8
309.07663	1.2
311.09210	1.0
319.06158	0.6
321.04095	1.2
321.15701	0.7
322.04660	1.1
323.09225	0.6
325.07019	1.9
333.07587	3.1
336.06134	1.1
351.08820	1.6
353.06656	22.1
354.07138	2.4
361.07172	3.0
367.08029	0.7
369.09579	0.7
378.07303	2.2
379.08258	9.2
380.08591	1.5
396.08200	1.0
397.09253	69.2
398.09583	8.8
433.11270	2.1
499.28854	3.8
517.29962	1.8
559.14459	55.8
560.15015	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	559.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28177	0.3
54.63433	0.3
55.01748	0.4
57.01060	0.3
57.03320	3.7
58.00462	0.4
59.01249	24.3
61.98701	0.4
63.01930	0.5
63.02266	9.5
65.00190	9.7
68.99688	0.5
69.03315	0.5
71.00885	0.6
71.01255	9.3
71.13914	1.0
72.99172	0.5
73.02822	4.0
77.13029	0.3
83.01254	11.2
83.04903	0.6
85.02816	3.1
87.00742	0.9
87.04411	0.8
89.02312	4.7
93.03347	1.2
95.01276	1.7
95.04896	0.5
96.95886	1.6
97.02842	0.5
97.06454	0.6
98.95461	0.4
99.00765	0.5
101.02313	5.5
107.01269	22.1
108.01542	0.5
109.02845	1.6
111.00765	0.8
113.02328	4.9
113.05952	0.3
119.03387	2.8
121.06438	0.4
123.00753	1.4
124.01553	7.1
125.02337	15.3
126.02718	0.5
131.03377	0.5
133.02863	0.5
135.00755	0.6
135.04434	0.8
137.02328	1.4
139.00241	0.9
141.01834	0.6
143.03371	0.7
146.03615	0.5
148.01605	0.3
149.09538	0.5
149.94043	0.3
151.00270	73.0
152.01062	16.6
153.01845	5.4
157.75661	0.4
158.03613	0.5
159.04416	1.5
161.02338	0.5
161.04459	2.3
163.00249	1.2
163.03960	0.5
165.01855	0.9
169.01335	15.1
169.02782	0.8
170.01666	0.4
172.05154	1.0
173.04471	1.7
173.05995	3.6
174.06604	0.5
175.03908	1.3
177.01842	2.5
178.99773	100.0
180.00114	5.2
181.01338	1.3
182.03699	0.6
183.04520	0.4
184.05255	0.4
185.05972	0.7
186.03175	0.4
187.03940	1.2
187.07523	2.5
188.04700	1.3
188.08179	0.4
189.01845	0.8
189.05505	3.3
189.09064	0.6
190.02637	1.1
191.03783	0.6
191.05537	3.0
193.01398	0.5
197.05974	0.9
198.06837	0.5
199.03874	0.4
199.07555	2.4
200.04742	4.2
201.05504	1.9
202.06194	0.6
203.03412	0.6
209.06038	0.4
211.03891	0.7
212.04695	0.9
214.02654	1.4
214.06192	0.7
215.07076	25.6
216.07539	2.8
217.08611	3.6
219.06496	0.6
225.05611	1.9
226.02687	0.8
226.06223	0.8
227.03413	0.7
227.07091	4.8
228.03958	0.4
228.07545	0.6
232.03676	1.7
237.09096	0.4
239.03418	0.4
239.07085	0.8
240.04037	0.4
241.01477	1.6
241.05067	2.1
241.08717	0.4
242.02130	1.8
242.05754	1.6
243.02856	1.2
243.06554	3.0
244.06929	0.6
245.00787	0.9
245.08383	0.5
251.03328	0.5
253.05025	4.0
253.08734	0.9
254.02612	0.4
254.05600	1.8
255.02962	1.9
255.06268	0.9
256.03564	0.5
263.07034	0.4
264.04263	0.6
265.08679	0.9
267.06702	1.3
268.07123	0.4
269.04501	0.7
269.08188	1.1
270.01678	2.4
270.05219	1.2
271.02469	5.7
271.06085	8.5
272.02960	0.5
272.06427	0.6
277.05011	0.6
277.08517	0.5
278.05792	0.6
279.02936	0.4
280.03641	0.4
280.07166	0.7
281.04596	0.7
281.08170	0.7
286.08325	0.4
289.08792	0.5
291.06653	1.0
292.07248	0.8
293.04666	1.1
293.08167	1.7
294.05139	0.9
294.08295	0.4
295.06058	0.6
296.03287	0.6
298.01105	1.0
299.01968	2.4
300.02737	10.1
301.03076	1.2
305.04590	0.5
305.08157	1.2
306.05313	0.6
306.08749	0.5
308.03284	0.5
308.06659	0.4
309.03943	0.6
309.07538	0.8
311.01917	1.0
311.05597	0.3
311.09195	1.6
321.03995	0.9
321.15567	0.7
322.05075	1.7
323.09247	1.0
325.07150	2.3
325.10562	0.6
333.07645	4.1
334.08264	1.7
335.09055	0.8
336.06473	1.8
337.06989	0.8
350.04056	0.6
351.08762	1.5
353.06631	25.8
354.06982	3.1
355.24802	0.7
361.07205	2.8
367.08087	0.6
369.09891	0.7
378.07581	2.2
379.03223	0.6
379.08179	12.2
380.08594	1.2
385.12888	0.7
396.04120	0.3
396.08389	2.1
397.09250	76.2
398.09558	9.4
433.11459	2.8
499.29010	5.1
500.29285	0.7
517.30109	2.6
523.34723	0.5
559.14514	74.5
560.14868	12.4
560.21985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.0
57.03308	2.0
58.00444	1.0
59.01251	66.9
60.01596	0.8
61.98719	0.8
68.70907	0.5
69.03292	0.7
69.29218	6.8
71.01254	16.0
71.04897	0.7
72.62753	0.6
72.99179	0.9
73.02822	6.4
74.02342	0.6
75.00734	0.8
83.01254	4.3
85.02824	7.3
87.00758	4.1
87.04376	0.9
89.02315	5.7
93.03355	2.9
95.01261	1.4
96.95880	1.1
97.02826	1.7
99.00759	1.5
101.02314	10.1
107.01292	1.4
109.02837	1.2
109.06494	0.8
111.00785	0.9
111.04459	0.9
113.02325	7.3
119.03366	1.6
124.01566	0.7
125.02322	1.9
125.09650	0.7
128.78900	0.6
133.02861	0.9
135.04424	5.0
137.02321	0.9
137.09612	0.8
141.03091	0.6
143.03444	1.5
145.77319	0.7
151.00270	4.7
151.11229	0.6
152.01108	0.7
155.10728	1.4
158.03680	1.4
159.04333	0.7
161.02339	2.0
161.04497	1.4
163.11156	0.6
169.01337	1.1
171.04373	1.1
171.10190	1.6
172.01653	0.7
173.04549	3.6
173.05759	0.7
175.03888	1.1
177.01924	0.7
178.99754	2.7
183.04478	0.8
185.11746	1.4
186.03162	3.8
187.03831	1.5
189.01813	2.4
190.02602	1.1
191.05522	5.4
197.11700	0.9
198.03151	1.4
199.03922	2.6
199.07585	0.7
199.13437	0.7
201.11218	1.1
203.03412	0.7
207.05098	0.8
207.10210	0.7
209.11743	5.1
211.13400	0.8
214.02676	7.8
215.03314	2.0
215.12866	1.1
217.01357	0.8
218.02029	1.1
225.11327	0.7
227.03387	2.3
227.07027	0.8
229.14577	0.7
233.11583	1.5
241.01379	27.6
242.02130	17.3
243.02905	5.6
245.00883	25.3
246.01207	1.7
251.11348	1.0
253.09251	1.3
255.02989	1.5
265.46234	0.8
270.01688	50.4
271.02432	39.7
272.02884	3.0
273.00412	2.4
298.01169	36.9
299.01947	81.0
300.02484	9.7
301.03281	1.1
305.17590	1.9
313.03491	0.9
314.04199	0.9
325.23608	1.0
327.09912	1.1
327.21698	1.2
336.10223	2.7
336.60431	1.2
337.23724	3.7
339.08731	1.0
339.25220	0.7
349.19846	1.2
355.24860	11.6
367.08008	1.3
373.25867	1.4
385.12805	1.1
396.08466	7.0
397.08942	2.5
454.65002	0.9
461.07153	4.8
462.01776	1.2
462.07947	17.0
463.08438	1.8
499.29123	19.6
500.29245	1.3
515.28510	1.2
517.30139	16.2
518.30646	1.5
541.28864	0.6
558.29681	2.1
559.14551	100.0
559.31152	35.0
560.14838	17.3
560.31818	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	559.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.1
59.01252	30.9
61.98722	0.7
63.02270	6.4
64.99868	0.5
65.00192	12.3
67.01759	0.8
69.03338	0.8
71.01253	13.7
71.07114	0.7
71.07433	1.1
72.99159	0.8
73.02828	3.8
78.95801	0.7
80.96423	0.8
81.03339	1.4
83.01259	10.5
83.04909	0.9
85.02828	4.6
87.00759	2.9
87.04411	1.0
89.02316	9.1
93.03339	7.0
95.01275	2.4
96.95892	8.2
99.00694	0.7
99.04374	0.8
101.02322	8.2
107.01273	17.8
108.99154	0.6
109.02835	1.7
110.79739	0.7
111.00770	2.5
111.04403	1.7
113.02325	6.4
116.40976	0.6
118.98016	0.7
119.03393	3.6
121.02830	1.5
123.00799	1.5
123.04449	0.7
124.01556	10.3
125.02361	8.5
127.03819	0.7
131.03456	0.6
135.04437	2.1
136.01549	0.7
137.02359	1.4
141.01852	0.9
143.03380	1.4
146.03668	1.0
149.02359	1.7
149.04471	0.6
151.00276	100.0
152.01074	24.7
152.99570	0.8
153.01729	2.5
155.03365	1.2
158.56012	0.6
159.04369	0.8
161.02316	0.9
161.04475	2.2
164.01035	0.8
164.04675	1.3
165.01871	1.6
169.01343	23.7
173.04489	18.1
173.05957	2.0
174.03204	0.7
174.04730	0.8
177.01863	0.8
178.99783	38.0
179.05528	2.0
180.00111	1.5
185.06006	1.4
187.03923	0.9
187.07596	2.3
188.04720	0.7
188.08366	0.9
189.09085	1.7
190.02832	0.8
191.05547	11.4
192.00587	0.8
193.01401	0.7
193.92578	0.7
197.05913	0.8
199.07555	2.3
201.01758	0.7
201.05487	2.6
201.09187	1.3
210.03290	0.7
211.13414	1.6
212.04755	0.8
213.05493	1.8
214.02844	0.7
215.07042	4.4
216.07921	5.4
217.08578	3.4
222.06760	1.3
223.05916	1.4
224.04886	0.7
225.05493	2.9
226.06023	0.9
227.03546	0.8
227.07059	7.8
228.86224	0.7
229.08778	0.9
235.07573	0.9
237.09041	1.3
239.07155	1.6
241.08659	2.0
242.02087	0.9
243.06490	1.0
246.06801	2.2
248.04874	0.7
249.05518	1.5
249.09355	0.7
253.05078	6.4
255.02869	0.7
255.06540	0.9
261.09186	1.5
262.06094	1.0
263.07095	2.3
265.05093	0.8
265.08658	2.1
267.06683	1.3
269.08264	3.0
270.01825	0.8
271.02158	0.7
272.07025	0.6
274.06479	1.6
277.04962	1.2
277.08557	1.2
280.07364	0.9
281.04639	1.0
281.08090	1.1
282.05240	0.9
283.09836	1.4
289.08664	4.5
290.05899	4.4
291.06540	3.4
292.07178	1.5
293.04654	2.0
293.08008	1.1
295.06082	1.2
297.07654	1.3
299.01859	1.0
300.02728	1.9
305.08163	7.4
306.08597	1.2
307.02554	1.1
308.03357	3.5
309.03943	1.7
309.07562	1.1
311.01993	2.1
318.05087	0.9
319.06088	1.2
321.04044	2.7
322.04782	1.8
324.10229	0.7
325.03424	1.4
333.07657	27.4
334.08099	4.2
335.05569	0.8
335.09109	1.4
336.02643	2.3
336.06351	1.3
337.03384	0.7
350.04181	3.4
350.07925	0.8
351.08820	3.8
353.06650	95.5
354.07019	9.9
361.07166	68.8
362.07568	8.1
367.08041	1.3
369.09814	0.9
378.07404	13.7
379.08206	41.7
380.08481	3.7
381.09802	1.0
385.12488	1.0
385.16833	1.3
396.08521	4.2
397.09930	5.1
407.13272	1.9
433.11340	1.8
499.29102	3.3
517.30316	1.7
527.18658	0.8
531.14618	1.1
541.13287	1.9
542.13733	0.7
559.14551	96.3
560.06195	0.8
560.14880	15.8
560.23077	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	558.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72417	0.5
52.65797	0.6
54.15120	0.5
59.01246	1.4
62.96257	0.7
71.57474	0.7
78.95776	35.6
95.74081	0.6
96.96848	1.2
98.42757	0.5
105.62884	0.5
122.00007	2.4
135.53696	0.6
137.90718	0.6
140.01065	7.3
152.99509	5.6
196.03726	15.5
214.04825	1.9
222.00154	0.7
241.01109	1.0
241.21690	2.1
242.22002	0.9
277.21722	3.3
278.02945	0.9
279.23282	100.0
280.23630	7.4
476.27814	58.6
476.35092	0.8
477.28070	7.2
498.24945	1.2
558.27234	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	558.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99825	0.3
59.01236	1.0
66.21976	0.3
71.13126	0.7
73.87913	0.3
76.86742	0.3
78.95770	14.2
87.47575	0.3
89.84179	0.3
122.00008	0.8
140.01089	2.7
152.99486	2.0
155.87738	0.4
171.00560	0.6
196.03709	4.7
214.04762	3.1
241.01151	0.4
261.22281	0.5
278.02957	0.5
279.23273	100.0
280.23615	9.4
373.44467	0.4
476.27783	29.9
477.28107	3.7
498.25146	0.5
558.27081	2.9
559.27563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01241	9.1
66.27897	1.3
69.03321	7.6
71.01225	2.6
71.04892	1.7
71.57813	1.0
78.95760	1.4
79.95567	1.2
80.02545	1.0
81.03348	1.9
83.01246	3.1
83.04903	5.8
84.02058	2.3
95.04884	2.4
96.95851	1.6
97.06454	2.7
101.02322	1.5
111.00790	1.6
111.04379	1.3
121.02838	3.2
123.08034	2.8
125.09624	5.2
133.88309	1.1
135.04376	1.2
135.08043	1.4
151.11177	5.4
152.99495	1.3
153.12741	1.3
161.09601	9.6
163.11200	5.6
165.12750	2.1
171.10229	2.5
179.10681	26.6
180.10924	1.2
181.12166	1.5
191.05475	2.4
191.10675	1.8
197.11761	87.8
198.12135	3.9
209.11763	70.9
210.12033	4.1
217.00240	1.5
223.09740	3.0
227.12772	8.7
241.10785	9.9
289.91675	1.1
293.21246	1.3
297.13480	5.0
315.14453	14.4
316.15100	1.5
338.28320	1.4
353.23474	1.2
383.02130	1.0
507.25940	1.3
525.27020	100.0
526.27295	15.9
530.07294	1.3
557.29382	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	557.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
58.00482	1.1
59.01245	8.6
60.75307	0.7
61.98705	5.4
69.69689	3.6
69.70104	1.0
71.01247	3.7
72.99176	0.7
73.02826	3.0
75.00753	0.7
83.01254	0.9
83.04891	0.8
85.02850	3.2
87.04382	10.5
89.02308	0.9
93.03323	3.7
95.04887	0.8
96.95901	4.5
97.02834	2.0
97.06480	1.6
98.19836	1.2
99.04400	1.5
101.02322	3.9
108.02039	1.4
109.02833	2.6
111.04427	0.8
113.02309	1.1
121.02846	2.3
122.03641	7.6
123.04443	1.9
125.02357	1.7
133.02895	1.0
135.04414	2.1
135.08037	2.0
136.01535	1.3
137.02344	1.2
137.05977	0.7
137.09613	8.6
139.01860	0.6
139.07539	1.5
139.11179	0.7
149.02348	2.2
149.06052	0.6
150.03130	55.9
151.03908	3.7
151.11102	0.7
152.01031	1.5
153.01872	1.6
155.10678	46.4
156.11031	2.0
163.11203	1.0
165.05478	100.0
166.05785	5.2
169.12250	1.8
173.04498	1.0
179.10718	4.8
181.08556	4.4
191.05504	1.8
191.10692	2.2
193.12189	0.9
195.10164	3.4
199.09683	43.8
200.10016	2.3
213.07573	4.6
213.11241	1.1
223.09856	0.8
237.11255	1.1
241.10779	11.9
253.10750	3.8
255.12384	1.8
283.11865	16.7
284.12079	1.5
289.15408	0.7
297.58841	0.7
316.20844	0.8
327.27682	0.7
343.13995	8.6
344.14191	1.2
375.72192	0.7
395.17081	2.1
448.14627	0.6
513.20386	1.0
557.22333	29.7
558.22833	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	556.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66985	0.4
59.01250	2.1
65.56151	0.4
70.71996	0.4
71.56510	0.4
78.95774	27.7
80.64465	0.3
96.96819	0.9
117.78517	0.4
120.95324	0.6
122.00031	0.7
124.01505	0.4
125.09650	0.6
140.01080	3.7
150.01891	0.4
152.99472	3.4
171.00537	2.0
179.40405	0.4
196.03683	4.1
214.04796	3.7
217.00282	0.4
262.88235	0.4
275.20078	0.6
277.21707	100.0
278.02658	0.4
278.22052	9.2
474.26239	37.7
475.26587	5.3
496.23254	1.4
556.25372	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	556.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44555	0.7
51.23859	0.7
52.07510	0.7
59.01249	4.3
63.85437	0.8
71.01247	3.8
73.02826	0.9
78.95779	4.4
82.95988	1.1
85.02841	0.8
89.02326	2.5
101.02315	3.3
105.31453	0.8
113.02324	0.9
119.03440	1.2
152.99471	3.2
161.04523	1.4
235.08220	1.8
241.01221	1.2
241.21689	5.0
253.09248	17.8
277.21704	100.0
278.22089	9.3
279.23221	2.3
326.25027	0.8
439.50287	0.9
504.30780	1.0
556.26947	1.9
557.27325	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	555.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.0
59.01254	48.8
61.98700	4.1
69.03326	3.0
71.01265	13.6
71.57552	2.8
72.99184	5.1
73.02818	6.3
73.58607	2.0
74.98971	2.8
80.38265	2.2
83.01270	7.0
83.04865	4.2
85.02831	5.1
85.95055	2.3
87.00723	2.8
87.65767	2.2
89.02321	6.7
93.03348	6.4
95.04840	3.4
96.95887	7.2
97.02831	2.2
99.00739	2.5
101.02307	10.7
108.02077	3.9
109.02854	2.7
111.04392	2.4
113.02320	3.9
121.02844	5.1
122.03615	6.4
123.04408	60.3
124.04735	3.6
135.04401	3.9
135.08049	2.6
136.01624	2.9
136.99039	4.4
139.11174	9.2
145.02887	3.3
149.02341	12.1
149.09700	2.8
150.03131	42.8
151.03734	2.6
153.01761	3.2
153.09102	5.5
165.05489	76.0
165.12759	2.5
166.05824	3.5
167.03403	6.3
173.04597	3.3
177.09172	2.7
181.12311	6.4
183.10219	12.7
191.05547	9.8
193.04930	3.3
195.06523	5.8
205.09509	3.1
209.11755	51.7
210.12112	3.9
213.07597	5.3
221.08301	2.9
225.11311	9.4
227.12859	6.6
235.64227	2.3
238.49428	2.2
243.12387	6.0
253.09393	7.0
280.11905	2.9
454.07690	2.6
507.20529	3.1
537.19720	3.4
555.20831	100.0
555.29144	4.4
556.20691	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	555.2838
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
57.03325	0.3
59.01248	0.9
62.39793	0.3
63.96097	0.9
68.86658	0.4
69.03323	0.6
70.92709	0.8
71.01248	6.8
72.17127	0.4
73.02813	1.2
78.98460	4.8
79.95602	8.4
80.96386	58.7
81.03327	0.5
85.02831	2.7
87.00773	2.7
88.32357	0.4
94.97959	13.0
95.01263	0.4
96.95872	1.1
97.02814	1.2
99.00785	0.5
101.02338	3.1
106.97949	2.4
122.97471	4.3
125.02322	2.8
127.03901	0.5
134.97464	4.2
136.99031	1.2
148.99030	5.0
152.98531	6.2
164.98528	8.3
167.00037	0.4
171.74660	0.4
180.80669	0.3
182.99646	2.3
188.98521	0.6
206.99571	2.9
222.97769	0.3
225.00687	16.7
226.00931	0.4
243.01773	1.5
255.23308	3.2
286.42474	0.4
286.45575	0.3
299.04367	2.3
555.28381	100.0
556.28723	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	555.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12890	0.4
59.01268	0.6
63.41865	0.4
63.96103	1.2
66.36260	0.4
66.36654	0.4
69.03316	0.6
71.01252	6.6
73.02814	1.9
78.98452	5.2
79.95602	8.7
80.96386	62.4
81.03320	0.5
85.02827	2.9
87.00739	2.9
94.97955	13.2
96.95882	1.0
97.02836	1.3
98.07700	0.5
99.00778	0.5
101.02308	2.0
106.97936	3.0
113.02379	0.6
122.97450	2.8
125.02335	3.6
127.03902	0.6
134.97473	4.8
136.99028	1.4
146.97447	0.5
148.99042	6.2
152.98532	5.5
164.98529	11.8
206.99657	1.8
225.00671	15.8
226.01172	0.6
231.70720	0.4
246.39511	0.4
247.14743	0.4
255.23225	2.0
299.04456	3.3
416.50323	0.4
555.28387	100.0
556.28778	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	555.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84591	0.4
56.70777	0.5
57.03317	1.5
58.00449	0.7
59.01250	13.3
61.73248	0.6
61.98682	0.6
63.29950	0.5
64.85146	0.5
71.01251	5.6
72.99199	0.6
73.02820	5.3
75.00771	0.5
80.77067	0.5
80.96387	0.9
83.00203	0.5
83.01255	7.1
85.02821	1.9
87.00717	0.6
87.04394	1.7
89.02322	1.4
90.09520	0.5
93.03353	1.2
93.99871	0.5
95.04907	0.9
96.95889	9.4
97.06499	0.5
98.20551	1.4
98.95463	1.6
99.00741	0.6
99.04362	0.5
99.92484	0.9
101.02317	4.2
102.06267	0.5
108.02052	29.2
109.02924	0.8
109.06470	0.9
112.22929	0.4
113.02312	1.0
116.92722	3.5
119.04928	1.9
123.00784	1.2
123.04414	13.9
125.02345	1.2
127.07562	0.7
135.04379	0.9
137.02286	0.9
139.11180	6.3
151.00253	0.6
151.11145	0.7
152.01062	58.2
153.01523	2.1
163.03944	2.1
163.11227	0.7
165.09131	0.9
167.03410	100.0
168.03760	4.3
169.12283	1.5
173.04549	0.5
177.01778	0.6
179.03476	0.7
179.10707	1.7
181.12265	3.0
183.10187	11.0
191.05516	2.2
197.11778	1.5
200.10271	0.5
225.11272	12.3
226.11609	1.0
229.80470	0.8
239.12892	0.7
243.12344	12.4
243.78128	0.5
249.11296	1.7
263.12842	1.0
267.12366	2.4
285.13470	2.1
289.11118	0.6
291.12445	3.4
309.13528	1.3
327.14429	4.7
336.10156	0.7
387.16565	11.4
388.16876	0.6
419.08615	0.5
471.68137	0.6
535.17120	1.1
555.20416	7.2
556.18842	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	555.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39365	0.7
54.27687	0.8
55.01738	0.9
57.03305	3.3
58.00427	1.0
59.01249	52.4
62.47162	0.9
65.00204	1.0
65.03824	1.0
67.73353	1.0
68.99687	2.6
69.03329	1.7
70.91565	2.7
71.01252	11.7
71.04879	1.8
73.02812	9.0
75.00719	1.2
75.72884	0.9
78.95752	1.0
81.03319	1.9
83.01249	8.3
83.04869	3.5
83.40441	0.8
85.02824	8.5
87.04375	3.1
89.02290	0.8
93.03326	4.1
95.01254	3.6
95.04883	1.1
96.95870	3.8
97.02796	1.6
97.06466	1.0
98.02353	1.9
98.19925	1.4
99.00750	1.3
99.04402	9.6
101.02292	6.4
107.01260	1.6
107.04847	1.2
108.02051	15.6
109.02158	1.2
109.02843	23.2
109.06474	1.5
111.00778	2.4
113.02322	3.7
113.05970	1.0
115.08656	2.9
116.92777	1.3
119.04909	1.7
121.02811	4.1
122.03622	57.6
123.00798	2.3
123.04411	89.8
124.01572	1.8
124.04718	3.6
125.02377	4.5
127.03874	1.4
130.08638	4.9
133.02843	0.9
134.03650	1.5
135.04436	1.8
137.02336	18.0
139.00278	2.2
139.07513	1.2
139.10136	1.8
139.11185	34.3
140.11469	2.3
147.04352	1.2
148.01524	1.8
149.02301	5.2
149.05974	2.7
151.00269	6.2
151.11150	1.9
152.00986	1.6
153.01787	1.7
155.10732	1.1
161.02394	1.8
163.03851	3.2
163.11179	3.6
165.01817	1.6
165.05408	2.1
165.09099	2.2
166.99690	1.0
167.03352	1.1
167.07077	1.4
169.01346	1.5
169.12195	2.9
173.04401	1.7
175.03943	1.5
178.99731	4.1
179.10690	2.8
181.01219	1.1
181.04932	2.9
181.12279	7.7
183.10185	62.7
184.10553	3.2
184.56691	1.0
187.03961	1.4
189.01852	2.6
191.05522	2.1
192.00687	1.4
193.01250	2.7
194.87677	0.9
197.11760	1.6
197.16560	1.3
199.13345	1.8
203.03465	1.4
205.01410	1.8
206.99223	2.4
207.10295	1.0
207.99994	1.9
211.06039	2.1
215.03398	1.8
219.02826	1.3
225.11256	15.5
226.11635	1.1
227.03404	1.2
231.02826	1.0
231.10147	1.1
232.03558	2.4
233.04405	1.6
243.02902	3.9
243.12352	7.1
245.00992	1.3
245.04292	1.0
249.11391	1.8
259.02567	1.3
260.03323	0.9
261.04050	4.9
267.12164	1.3
270.01553	1.1
271.02466	4.5
272.03146	1.0
273.04382	1.0
287.01913	2.0
288.02689	3.0
289.03528	2.2
291.12344	3.0
299.01965	2.9
300.02512	1.8
315.01523	4.3
316.01999	1.9
317.02734	1.5
327.14429	3.4
333.02365	2.1
334.03500	2.5
351.03650	1.8
387.16528	1.2
413.07263	1.7
422.22916	3.7
447.94519	1.1
493.20523	8.1
494.21753	1.1
511.21851	60.3
512.22125	8.2
521.09216	4.2
537.08942	1.5
537.19818	6.5
538.32349	4.6
555.20746	100.0
556.10754	3.8
556.21057	15.3
556.33447	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	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.4
60.01580	0.2
63.66833	0.2
69.86027	0.2
70.02085	1.1
71.01259	0.4
78.95778	5.6
78.98447	0.3
79.95611	0.4
80.96394	2.2
94.97961	0.7
98.20508	0.2
142.46364	0.2
148.99112	0.3
152.99541	1.1
156.97786	0.2
164.98491	0.3
168.04254	1.2
185.97185	0.2
217.00240	0.4
224.06898	0.8
225.00720	0.4
242.07930	2.3
245.04271	0.3
255.23273	100.0
256.23624	8.8
383.71747	0.3
392.45526	0.2
472.35349	0.4
480.30951	29.1
481.31180	3.7
554.26978	1.2
555.28357	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	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28437	0.3
56.96050	0.2
59.01252	1.6
61.89898	0.2
69.40936	2.2
71.01252	0.7
71.79850	0.2
78.95773	6.1
78.98473	0.4
79.95596	0.9
80.96387	7.0
82.95966	0.5
84.28394	0.2
92.73487	0.3
94.97963	1.1
101.02334	0.3
107.40180	0.2
114.55001	0.2
119.07250	0.2
122.97449	0.7
148.99086	0.6
152.98405	0.4
152.99484	1.0
164.98503	0.8
168.04214	1.5
195.22073	0.3
196.54114	0.2
197.11909	0.3
199.83238	0.2
206.99510	0.3
224.06804	1.3
225.00681	1.1
226.00891	0.4
242.07933	2.7
253.21553	0.3
254.22145	0.3
265.01779	0.3
277.21585	0.3
279.23264	100.0
280.23608	9.8
304.58276	0.3
443.50250	0.2
444.31262	0.3
453.28351	0.4
504.30933	30.9
505.31210	4.8
554.27142	10.1
555.27228	2.2
582.35101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07132	0.3
59.01236	2.0
61.98692	0.5
69.94554	1.9
70.97769	0.3
71.01242	0.7
78.95773	21.4
78.98473	0.5
79.95596	0.5
80.96390	4.8
85.24457	0.4
94.97956	0.7
97.78361	0.4
152.98438	0.5
152.99503	3.1
164.98515	0.7
168.04216	3.3
187.28668	0.4
204.27985	0.4
217.00311	1.0
224.06880	8.4
224.09081	0.3
225.00731	1.1
242.08017	2.2
253.21642	0.5
255.23236	0.4
261.22327	0.6
277.21643	1.2
279.23264	100.0
280.23581	9.2
426.82547	0.4
504.30930	64.7
505.31195	9.9
554.27173	7.0
555.27240	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08624	0.4
59.01249	21.5
63.96095	0.4
69.35287	0.5
69.35692	3.1
71.01258	2.6
73.02816	0.9
76.90810	0.4
78.95302	0.7
78.95773	18.1
78.98463	2.1
79.95596	3.5
80.96384	23.6
81.03371	0.4
85.02808	0.6
87.00761	1.3
94.97964	5.9
96.96892	0.3
101.02317	1.0
106.97972	1.4
122.97472	2.0
122.98260	0.5
125.02322	1.3
134.97476	1.7
136.99037	0.4
148.99028	2.5
152.98466	2.8
152.99530	1.3
164.98529	5.3
168.04250	2.6
171.89429	0.4
173.96669	0.3
182.99576	0.9
206.99672	1.6
224.06883	7.8
225.00671	7.5
242.07890	2.0
243.01753	1.1
243.65195	0.4
255.23254	100.0
256.23578	8.5
299.04419	1.0
480.30914	58.6
481.31332	8.2
555.28394	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47447	0.3
51.86308	0.3
52.69769	0.4
59.01247	3.1
63.96106	1.0
69.03329	0.7
71.01251	6.9
71.13231	0.7
73.02807	1.9
78.05759	0.4
78.95770	2.8
78.98455	6.3
79.95603	9.5
80.96387	73.3
81.03326	1.0
85.02821	2.8
87.00734	2.7
94.97957	16.4
95.01258	0.5
96.95878	4.5
97.02826	1.7
99.00758	1.0
101.02318	3.2
106.97982	3.2
113.02345	0.4
122.97469	6.1
125.02348	3.1
127.03870	0.8
127.73428	0.4
134.97470	5.4
136.99019	1.5
148.99040	6.8
152.98505	7.5
152.99524	0.9
164.98541	12.0
165.39497	0.3
165.98758	0.5
167.00070	0.4
168.04218	0.7
182.99623	2.5
188.98734	0.3
206.99620	3.4
209.11784	0.9
225.00690	19.0
226.00946	0.6
229.11282	0.3
242.07947	0.8
243.01749	2.3
253.21698	3.7
279.23279	33.3
299.04303	3.1
309.20432	0.5
323.94614	0.4
504.30920	11.5
508.15143	0.4
553.26843	100.0
554.27203	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	553.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.0
58.00448	0.8
59.01251	75.4
60.01573	1.0
64.24647	0.6
69.03323	1.1
71.01254	20.7
71.57103	0.7
71.57439	0.7
72.99180	1.2
73.02812	6.6
75.00751	0.7
83.01249	3.7
85.02815	6.0
86.11536	0.7
87.00761	1.8
87.92512	0.6
89.02313	13.6
90.04305	0.6
93.03357	1.0
95.01294	1.3
96.95885	3.9
97.02824	1.1
99.00766	1.2
99.04386	1.5
101.02322	17.1
109.02866	0.6
109.06478	1.1
111.00797	0.8
113.02332	8.2
119.03403	5.8
121.04111	0.9
121.04960	10.1
125.02310	1.4
128.54837	0.7
135.04378	0.9
143.03395	1.9
143.04437	0.9
145.04974	0.9
153.01802	1.0
159.02946	0.9
161.04422	3.6
163.06050	1.6
165.12711	1.3
173.04518	1.3
179.05551	1.7
187.06017	1.1
191.05542	3.7
191.10698	0.6
207.13835	1.6
209.11717	4.7
225.14888	5.0
227.12820	25.4
228.13208	1.2
251.12915	1.2
255.11653	0.7
265.09268	8.1
269.13959	2.5
278.17209	0.7
283.10361	7.8
286.08444	1.3
287.15060	1.2
292.81775	0.7
301.10840	1.9
325.11386	2.7
331.12006	1.4
335.69077	0.7
452.25687	0.7
465.27310	0.8
535.24042	8.0
536.23627	0.7
553.25024	100.0
553.32007	5.3
554.17346	1.2
554.25372	14.2
554.32782	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	552.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36920	0.2
59.01252	17.0
63.75507	0.3
78.95304	0.5
78.95773	10.6
84.50238	0.3
96.96766	0.3
125.09621	0.4
131.81461	0.3
133.82924	0.3
134.77379	0.3
139.64056	0.3
152.99504	1.9
168.04269	2.5
179.76599	0.3
182.04218	0.3
224.06883	3.6
242.07933	2.8
253.21700	100.0
254.22034	8.8
277.21713	23.0
278.22046	2.8
309.20758	0.4
322.40265	0.3
478.29391	26.8
479.29688	3.8
502.29391	17.8
503.29871	2.4
541.84302	0.3
551.77783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27899	7.0
57.53699	7.6
59.01252	69.2
63.19534	8.2
65.00190	21.2
69.29191	16.8
69.29600	70.6
71.01257	31.6
72.99164	11.8
73.02821	18.4
83.01261	17.9
85.02804	9.2
89.02265	14.8
93.03341	9.3
95.01254	14.3
96.95879	13.3
96.99209	8.4
98.19821	15.2
99.00751	17.6
101.02300	13.7
106.57529	7.9
109.02834	35.0
111.00751	23.6
111.19703	7.2
117.12975	7.6
119.04921	11.1
121.02838	12.8
123.00745	20.7
123.04449	7.6
124.98738	8.0
125.02338	15.0
133.02853	8.2
135.04445	10.7
137.02332	22.0
139.00253	30.6
140.02133	7.6
141.02945	15.1
147.04347	9.8
149.02325	11.1
151.00281	32.4
152.01028	13.3
153.01813	13.3
154.99786	36.6
157.29053	7.5
159.04428	9.8
161.02339	16.0
163.00272	12.5
163.03857	10.5
163.31833	7.6
164.98215	8.1
165.01872	11.6
165.17848	7.6
166.99817	22.1
169.01346	6.8
171.04590	9.0
171.10100	8.3
173.51794	8.2
175.03868	18.4
177.01833	24.0
178.99757	40.1
181.01363	23.2
182.49989	7.7
184.00005	10.2
187.03978	20.0
189.01826	9.6
191.05437	8.5
192.00584	11.2
193.01259	13.7
194.99245	20.3
201.01907	9.9
203.03424	31.5
205.01306	10.6
207.44429	7.9
209.00954	12.4
213.01984	9.0
214.02582	7.9
215.03441	31.7
217.01311	12.3
229.01385	15.5
231.02893	33.9
243.02933	26.8
243.53444	9.8
245.00806	17.3
247.02289	9.8
257.00937	7.7
258.01767	7.7
259.02457	33.5
271.02509	21.8
274.00870	7.8
275.02023	17.7
285.00745	8.7
287.01987	100.0
299.01849	9.7
300.02817	28.0
301.03467	17.0
303.01389	21.1
312.99734	12.8
315.01520	53.8
317.02966	8.3
331.00830	47.6
332.01535	9.0
417.06595	15.0
505.09521	17.6
507.94208	8.7
520.08478	24.6
535.07269	11.8
552.30701	20.1
553.09875	30.5
553.19122	12.6
553.32703	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02787	0.4
59.01249	5.0
66.57613	0.4
69.57605	1.1
69.58015	1.8
71.10323	0.4
72.82768	0.4
78.95772	30.7
96.96829	0.6
98.19820	0.9
103.90518	0.4
108.67760	0.4
132.87697	0.4
137.31845	0.4
152.99464	4.1
168.04227	5.3
224.06895	10.6
225.00937	0.5
242.07899	3.4
253.21700	17.6
254.21942	2.0
275.20239	0.9
277.21704	100.0
278.22061	9.6
291.71362	0.5
478.29318	5.1
479.29800	0.8
502.29379	73.3
503.29688	11.2
510.70319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16042	0.2
59.01247	1.2
63.03951	0.2
69.40679	0.2
69.40994	2.2
69.44823	0.2
71.01252	0.3
78.95776	8.0
91.48397	0.2
152.99527	1.1
168.04225	1.6
169.35315	0.2
185.54854	0.3
224.06938	1.3
233.22748	0.4
242.07928	3.5
259.20612	0.5
275.20123	0.3
277.21713	100.0
278.22061	10.0
315.30905	0.2
427.30719	0.2
502.29401	33.3
503.29752	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	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84585	0.4
55.40334	0.5
58.00443	0.4
59.01249	13.9
71.01251	3.5
71.57173	0.4
73.02802	0.5
79.95611	0.7
80.96390	1.5
85.02824	0.9
87.00735	0.6
89.02318	3.2
93.03329	1.3
99.00699	0.4
101.02326	3.6
113.02329	1.4
119.03348	1.1
123.50510	0.4
125.02350	0.5
134.03624	0.9
143.03419	0.4
152.99484	0.5
161.04402	1.2
173.04422	0.8
215.66310	0.4
235.08212	2.3
253.09273	16.0
254.09544	0.7
255.23257	100.0
256.23602	9.5
463.71768	1.7
464.21960	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	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
59.01246	15.1
70.15046	1.4
71.01253	2.8
73.02808	0.7
74.71655	0.3
78.55902	0.3
78.95792	0.5
80.96391	0.9
83.01237	0.4
85.02802	0.8
87.00737	0.5
89.02312	2.5
91.85048	0.4
93.03316	0.7
100.01754	0.4
100.44048	0.3
101.02334	2.7
113.02331	1.1
119.03402	1.0
133.04953	0.5
134.03658	0.5
161.04463	0.9
173.04443	0.5
209.20178	0.3
235.08189	2.9
253.09250	13.0
254.09508	0.6
255.23251	100.0
256.23602	9.8
327.63651	0.3
435.74249	0.4
463.71875	1.4
491.31805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3076
Annotation	Capisterone B
Peak:m/z	Relative Intensity
55.01751	1.0
57.03317	3.1
58.00459	2.6
59.01250	55.8
60.27773	0.6
61.98697	2.0
69.03325	1.2
71.01250	20.6
71.04897	1.3
72.99178	3.2
73.02815	7.4
75.00738	3.1
76.58773	0.7
81.03321	0.8
83.01264	3.7
83.04893	1.5
84.02052	0.7
85.02824	10.1
87.00742	2.2
87.04396	4.0
89.02309	12.1
93.03332	4.7
94.97946	1.1
95.01288	1.8
96.95891	9.4
97.06475	1.9
98.19758	1.3
99.00755	2.3
99.04385	1.0
101.02331	14.7
101.05941	0.8
107.01296	0.8
107.04910	1.3
108.02056	1.2
109.02831	1.7
113.02330	7.8
119.03416	4.7
119.04915	8.3
121.02809	1.7
121.06491	0.8
123.04464	1.2
123.08049	2.0
124.01547	1.9
125.02326	2.3
125.07970	0.8
125.09608	9.4
127.11170	1.2
131.03397	0.8
134.03603	1.3
135.04422	15.0
135.08025	1.0
137.02342	4.4
137.09656	1.1
139.07588	0.7
139.11174	0.7
141.09174	0.8
143.03349	0.9
149.99445	1.2
151.00258	0.9
152.00917	0.8
153.01831	1.0
153.09125	1.6
155.10677	2.2
159.42393	0.7
161.04437	3.2
163.03925	6.8
165.05496	0.9
167.03294	1.0
168.00560	2.0
171.10181	21.3
172.10533	1.2
173.04507	3.8
179.03421	12.8
179.05003	1.0
179.05617	0.7
180.03790	0.8
180.06583	1.9
181.04958	1.1
181.06833	0.8
185.11734	0.8
191.05544	7.1
193.05014	0.8
199.09642	1.0
201.11253	68.4
202.11594	4.0
215.12758	1.4
217.14420	1.3
227.12840	1.0
243.02921	0.8
255.03027	1.3
286.87943	0.7
299.01761	1.3
301.20154	1.9
303.22052	1.0
353.23380	6.4
371.24228	4.9
379.19626	4.4
387.16586	0.7
389.25525	2.4
431.26450	1.8
447.25510	0.8
449.27686	1.6
465.27170	0.9
507.28073	3.9
509.29706	1.7
533.21625	0.9
533.29669	19.4
534.30206	2.4
551.13379	2.8
551.22852	3.3
551.30725	100.0
552.22412	1.5
552.31171	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	551.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68979	0.9
59.01250	100.0
60.01572	1.5
65.21154	0.8
69.41122	8.1
71.01251	12.2
72.99166	1.4
73.02820	5.2
78.44517	0.9
79.89133	0.9
83.01256	2.0
85.02827	6.3
87.00721	1.7
89.02290	1.6
93.03340	3.2
95.01263	1.5
96.95872	7.4
99.00760	1.9
101.02325	9.4
106.06513	1.4
108.02042	2.0
109.02821	1.5
113.02316	5.3
119.04902	4.0
122.05981	1.3
122.86674	1.0
133.75862	1.0
134.06029	8.7
135.04378	1.9
135.06310	4.8
137.02385	5.0
138.01884	9.1
149.02414	0.9
161.02519	1.1
163.03886	3.4
170.59543	1.2
171.92360	1.0
173.04451	1.8
181.04955	1.0
183.06241	1.0
191.03465	1.4
191.05550	4.5
212.10716	1.7
213.10941	1.2
214.77708	0.9
240.08908	1.4
243.16016	1.5
248.06999	1.1
248.12659	0.9
252.08693	1.7
253.09384	1.6
255.11365	7.1
256.11682	7.4
267.11295	6.9
268.11697	7.0
281.12936	1.0
282.13290	1.6
301.20056	1.5
375.19214	1.8
402.17969	1.1
403.18582	6.8
405.25040	1.8
431.26083	1.3
447.17322	4.3
447.26273	2.0
463.20572	3.5
465.26926	3.0
479.19528	1.2
489.26773	1.8
506.18408	1.3
507.19571	32.9
507.28015	62.6
508.19919	4.5
508.28430	9.1
551.19556	1.3
551.30310	10.2
552.31085	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.3
57.03318	0.9
58.00478	0.3
59.01248	7.3
61.98674	0.2
69.03335	0.3
69.38215	1.9
69.49444	0.2
71.01246	2.0
71.04913	0.2
73.02811	3.9
83.01252	4.9
85.02826	0.6
87.04393	1.0
89.02326	0.2
93.03350	0.9
95.04857	0.3
96.95863	0.3
97.02819	0.4
97.06469	0.3
99.00743	0.4
101.02316	2.3
109.06484	0.4
113.02322	0.5
113.05995	0.3
119.04908	100.0
120.05244	3.7
121.02893	0.2
123.04391	0.3
125.02354	0.4
125.05907	0.3
135.04407	0.3
137.02399	0.2
139.03897	0.7
139.07532	0.4
139.11172	5.0
150.03137	0.3
151.11208	0.6
163.03906	59.8
164.04234	2.7
165.05490	0.3
165.09117	0.8
167.10683	0.3
169.12210	1.8
173.04453	0.4
179.10626	1.5
181.12259	2.1
182.12596	0.3
183.10188	7.4
184.10526	0.4
191.05530	0.3
195.13828	0.3
197.11748	1.2
199.13307	0.5
205.12273	0.4
205.55150	0.2
207.10118	0.4
225.11267	8.5
226.11673	0.5
231.10304	0.3
239.12967	0.3
243.12321	7.5
244.12799	0.5
249.11316	1.1
263.12891	0.3
267.12283	1.3
285.13373	1.2
291.12286	2.3
292.12616	0.3
309.13336	0.6
327.14456	2.4
328.14661	0.4
387.16565	7.0
388.16998	0.5
533.20288	0.7
551.21295	28.2
552.21704	4.6
552.30023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03334	1.3
59.01250	100.0
59.31352	0.3
60.01587	5.9
61.01675	1.5
61.98708	0.9
66.49596	0.4
67.78472	0.4
69.03345	0.6
70.72891	0.5
70.73218	0.8
71.01255	5.7
72.01615	0.6
72.99185	0.6
73.02828	1.7
78.95791	1.7
81.03374	0.4
83.01263	1.4
85.02810	4.3
85.06523	0.5
85.46828	0.4
86.03207	0.4
87.00782	0.9
89.02319	1.0
93.02819	0.4
93.03355	1.6
94.06522	0.8
95.01286	1.0
96.95904	1.2
97.02849	0.6
99.00755	0.7
99.04363	0.4
101.02339	2.8
103.00256	2.0
106.06512	5.7
106.81025	0.5
107.03649	0.4
108.04408	0.6
109.02846	0.6
111.00825	0.4
113.02329	3.5
114.02650	0.7
118.98062	0.4
119.03461	0.6
119.04926	0.8
122.06013	6.8
125.02361	0.5
134.06018	36.0
135.04401	1.7
135.06389	1.6
137.02347	1.3
137.05934	0.5
143.03424	1.0
146.06049	0.5
147.04385	0.4
149.05974	2.4
150.05446	0.5
151.04025	0.4
152.07077	6.1
152.99538	0.4
155.10732	0.4
158.06035	1.2
159.04468	0.4
160.07619	1.0
161.04602	0.9
161.05988	0.4
163.03955	1.0
164.04747	0.8
168.41158	0.5
171.00580	0.8
171.13762	0.5
172.07613	1.2
172.14108	0.6
173.04535	1.8
174.09177	0.5
178.06264	0.8
179.03343	1.1
179.07057	0.6
182.06036	2.9
185.22087	0.4
191.05504	2.0
193.08667	1.0
194.06039	0.8
194.08151	1.5
196.07578	1.0
196.11234	0.6
197.08376	1.2
198.09134	1.5
200.10771	0.9
202.63347	0.5
208.07678	1.1
209.08041	0.5
210.09198	1.7
211.06360	0.4
212.10753	20.2
213.11142	1.8
222.09210	1.0
224.10747	8.6
225.07961	0.5
225.11153	0.4
227.05774	2.4
228.10127	0.6
236.10820	0.9
238.08737	2.8
238.12321	5.0
239.05875	1.5
239.09157	0.6
239.12717	0.8
240.10252	1.0
241.07478	0.7
253.07433	1.7
254.08156	0.8
256.09753	10.0
262.08459	0.4
264.10339	1.8
268.09756	7.9
269.10443	1.7
274.46951	0.5
280.09738	0.7
282.07965	0.8
282.11374	2.5
300.08820	1.0
300.26132	0.8
301.10107	0.5
301.13562	1.5
315.15018	1.2
329.12930	1.1
329.16821	0.6
330.13800	0.7
331.18134	5.8
332.18399	0.8
341.16348	0.6
343.14694	0.6
344.15210	0.9
345.30014	2.2
346.30466	3.6
347.30780	0.7
353.23270	1.0
359.17633	25.8
360.17999	3.3
375.17099	2.6
377.18661	1.8
385.16064	0.6
401.15112	0.5
403.16547	6.9
404.17145	0.7
419.19766	9.3
420.20178	1.9
421.17749	0.6
429.14706	2.0
447.15701	5.1
448.15997	1.3
463.18707	8.8
464.19144	0.9
465.16647	4.2
466.16977	0.5
479.18231	0.7
489.16699	2.9
489.34338	1.3
490.17151	0.5
490.34628	10.5
491.34714	5.0
507.17700	83.1
508.18039	14.4
508.35434	3.1
509.36221	1.0
550.29742	0.5
551.21906	1.0
551.31305	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	551.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	75.0
60.01572	2.4
61.98695	3.0
69.26633	3.8
69.27054	10.6
71.01257	5.4
73.02805	4.7
73.31339	1.3
75.25359	1.2
78.95770	3.8
79.71203	1.1
83.01271	2.7
85.02831	3.4
87.00763	3.0
89.02316	1.9
93.03336	5.2
96.95889	4.8
99.88851	1.3
101.02318	3.4
103.00265	2.1
106.06530	6.0
108.04397	1.5
109.02854	1.6
110.02352	1.3
113.02295	3.1
119.04053	1.8
119.04911	35.2
120.05227	1.8
121.06465	1.3
122.06007	11.5
130.06512	1.5
134.06009	68.5
135.04401	4.5
135.06343	4.6
136.01559	1.3
137.02322	3.2
138.05478	5.2
139.03859	2.5
139.05829	1.9
141.05495	1.4
143.03262	1.7
146.05984	1.8
150.05356	1.3
152.07097	5.0
152.99493	1.3
158.05969	2.4
159.04393	1.5
160.07553	2.0
163.03905	18.9
164.07118	2.1
171.00488	1.7
172.07556	2.5
173.04468	6.2
174.05537	4.8
175.05920	1.9
179.03357	2.6
180.06593	3.9
182.06062	7.7
183.10236	2.0
186.09143	1.8
191.03957	1.4
191.05508	9.2
194.05945	1.3
196.07614	2.8
196.11237	1.9
197.08284	1.7
198.09155	4.5
200.10741	2.3
207.02907	1.7
210.09277	2.6
212.10760	32.9
213.11122	2.1
215.12930	1.3
222.09109	2.3
224.10728	19.8
225.11142	3.8
238.12343	6.3
256.09711	2.9
268.09845	1.4
271.08911	1.2
299.02133	1.5
300.10822	1.9
301.13449	4.6
312.10800	1.4
315.14969	2.6
317.77563	1.3
329.13101	2.5
330.13632	2.5
331.18127	11.7
343.14633	1.5
353.23486	3.4
359.17639	100.0
360.17831	12.8
372.17633	1.3
377.18604	4.3
387.16577	2.0
403.16623	8.6
404.17090	2.4
419.19739	69.6
420.20050	10.2
431.26138	1.6
447.17441	10.5
463.18784	21.7
464.18576	2.5
491.31946	2.2
494.93292	1.3
507.19366	13.9
551.22241	7.3
551.31958	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	550.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52566	0.5
59.01250	46.9
60.01567	0.9
61.28930	0.5
61.98686	0.8
69.44112	2.6
69.44534	2.0
71.01253	2.5
73.02808	1.4
78.95781	0.9
83.01248	0.7
84.81676	0.5
85.02814	1.5
87.00743	0.7
89.02285	1.4
93.03373	1.0
94.06503	1.2
96.95874	1.2
101.02340	1.4
103.00227	1.9
103.42673	0.5
106.06496	5.9
108.04398	0.6
113.02318	0.9
119.04908	1.7
122.06007	8.5
134.06006	27.9
135.04402	3.5
135.06369	1.0
152.07083	7.1
161.04509	0.7
163.03882	0.9
173.04488	1.0
177.01863	2.5
179.03452	3.0
191.05553	2.0
194.08080	1.6
211.08694	0.8
212.10738	9.3
213.10266	1.6
215.12939	0.6
224.10710	1.0
225.06628	0.6
225.10274	1.3
226.07388	3.2
237.06685	1.0
238.07356	0.8
238.12358	1.1
239.08170	3.7
239.11679	0.7
240.08871	1.9
241.09798	1.1
251.08215	1.4
252.09006	6.5
253.09679	3.3
255.11365	33.8
256.11755	2.2
265.09857	2.2
267.11371	29.4
268.11908	3.1
279.11481	1.7
281.09354	2.7
281.12939	7.2
293.09305	1.4
299.10400	1.9
307.10849	1.2
344.14072	1.2
359.17416	0.6
372.13419	1.2
374.18668	5.4
375.18762	0.8
387.15640	1.0
392.20010	0.7
400.16864	0.7
402.18201	14.5
403.18570	1.0
418.17798	1.4
428.16315	4.1
446.17136	9.8
447.17422	1.4
462.20294	7.1
463.20694	1.3
464.18088	4.6
478.20084	1.4
488.18320	3.5
506.19318	100.0
507.19629	17.0
507.27042	0.9
509.08847	0.8
549.29022	1.1
550.29626	3.8
551.22070	1.2
551.30536	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	549.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	15.2
68.19798	0.3
70.10437	1.3
71.01247	3.1
72.99214	0.3
73.02816	1.3
73.03419	0.3
78.95755	0.5
83.01239	0.7
85.02824	0.5
87.00700	0.4
89.02306	2.4
96.95844	0.4
97.02820	0.4
98.19935	0.3
101.02303	2.9
113.02311	1.2
119.03371	0.5
152.99509	0.4
161.04471	0.9
179.05591	0.5
235.08147	2.4
253.09285	11.7
253.21687	100.0
254.09593	0.5
254.22038	7.9
358.27261	0.3
403.89996	0.3
489.30682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72739	0.1
59.01259	0.9
59.89050	0.1
70.42414	0.1
71.01257	0.4
73.02831	0.1
74.10332	0.1
78.95757	0.2
79.95611	2.2
85.02822	0.1
87.00755	0.1
89.02335	0.3
93.03326	0.2
96.95890	100.0
97.95821	0.3
97.96394	0.1
98.02352	0.4
98.95482	0.1
101.02323	0.4
113.02343	0.1
151.00281	0.1
161.04642	0.1
173.04500	0.2
178.27437	0.1
178.99905	0.1
191.05539	0.5
196.16737	0.1
300.02689	0.1
301.03348	0.1
332.79639	0.1
369.03622	0.1
431.22266	0.1
458.56998	0.1
464.09097	0.2
490.34155	0.5
549.29468	0.4
550.32306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48643	0.2
56.43428	0.2
56.95068	0.1
59.01254	0.7
70.60288	0.3
77.03828	2.1
77.97997	0.2
86.82153	0.1
93.03354	0.4
96.95910	0.2
121.02841	100.0
122.03185	3.7
128.29964	0.1
134.90378	0.2
137.02374	0.2
147.04404	0.4
165.01840	52.4
166.02168	2.3
166.98965	0.1
174.87920	0.1
180.05724	0.6
181.06485	2.5
182.06897	0.2
197.05994	2.5
198.06453	0.2
199.07700	0.2
203.25195	0.2
205.87866	0.2
207.02701	0.2
207.04407	1.0
207.08119	0.4
217.00346	0.2
223.03922	0.4
225.05502	1.4
251.07089	0.2
254.85753	0.2
257.09641	0.5
285.09045	0.2
313.07114	1.4
334.07217	1.5
357.06317	0.9
383.07687	0.6
391.14401	0.3
417.09708	1.9
418.09961	0.3
492.06186	1.0
505.11511	1.6
537.60608	0.2
549.10364	25.6
550.10663	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	549.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38042	0.4
52.59420	0.4
54.15353	0.4
55.01763	0.7
57.03328	1.3
58.00475	3.3
59.01250	54.7
60.01572	0.4
61.52288	0.4
69.03340	0.5
71.01253	44.6
71.39143	0.9
71.39517	0.4
72.01579	0.4
72.99187	4.2
73.02822	3.1
83.01269	2.0
85.02824	10.7
87.00749	2.5
89.02316	48.9
90.02676	0.7
93.03336	0.7
95.01266	3.1
96.95884	3.2
96.99196	2.6
97.02818	0.6
99.00770	1.7
101.02321	26.9
107.18920	0.4
108.02048	6.4
108.02732	0.7
109.02836	5.8
113.02325	19.6
115.00250	2.4
117.03368	1.1
119.03387	24.2
120.03747	0.7
121.02884	1.2
121.74850	0.3
123.04415	3.1
125.02370	0.5
131.03398	2.5
132.03033	0.5
133.02872	1.1
134.03636	12.7
136.01471	0.4
137.02354	1.0
137.09601	1.0
137.16304	0.4
143.03380	4.1
145.02844	2.9
145.62395	0.4
146.03645	5.9
146.51759	0.4
147.04425	8.0
147.05586	0.5
148.05203	5.6
149.04451	2.0
149.05984	2.5
151.03912	0.6
153.05478	0.8
153.09164	0.4
158.03671	1.7
159.03044	0.7
159.04396	4.9
160.01630	1.3
160.05188	1.4
161.02361	0.4
161.04491	7.8
161.05984	2.6
162.03117	0.6
162.06718	0.7
163.03958	1.9
164.04691	0.6
173.04594	0.8
173.06039	1.4
174.03108	1.0
175.03970	1.4
175.07578	0.5
178.02650	2.5
179.05537	9.7
181.92792	0.4
183.35205	0.5
186.03165	1.0
187.03934	0.6
189.05482	2.1
189.12839	0.8
191.05519	2.2
192.04225	0.7
193.04980	6.7
193.06500	0.6
194.05319	0.5
201.05576	1.4
207.04904	0.6
207.06555	3.2
211.07668	0.5
213.05557	1.7
217.01521	0.7
224.04605	0.5
226.80734	0.5
232.03682	0.7
237.05589	0.5
238.06201	0.7
239.07164	2.0
240.04327	0.7
241.05013	9.5
242.05412	1.0
245.04633	1.1
249.05518	0.9
250.06407	1.5
251.07034	0.9
252.07866	0.7
253.05153	0.7
254.05878	0.5
255.06651	1.4
256.07376	5.9
265.05136	0.6
265.08832	0.9
266.05856	4.1
267.06589	8.5
268.07327	4.8
269.08151	4.0
270.08966	1.6
271.09732	6.6
272.07062	0.6
272.09903	0.5
277.05057	1.0
278.05981	0.5
280.07471	1.5
281.08209	3.6
282.08954	9.4
283.09695	6.1
284.10474	5.0
285.10690	0.5
293.04703	0.6
293.08212	0.8
294.05380	1.7
294.22931	0.4
295.06110	2.2
295.09692	0.9
297.07971	0.7
297.11334	11.5
298.08832	0.8
298.11932	1.9
299.09668	0.8
299.12811	3.4
309.07626	5.3
310.08411	4.3
313.10947	1.4
324.10141	1.2
325.10748	7.7
326.11258	0.7
340.67197	0.5
343.11969	0.7
353.06744	2.0
368.09018	0.5
369.09808	2.4
369.18976	0.9
387.10803	1.2
387.20181	5.1
433.14822	0.6
549.16321	100.0
549.25610	37.3
550.16656	15.6
550.25977	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	549.0889
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.89434	1.0
59.01249	17.4
59.37522	0.9
62.26721	1.0
65.00199	1.5
70.97874	2.2
70.98222	1.1
71.01253	4.8
72.99164	1.3
73.02819	1.2
74.45506	0.9
78.08456	1.0
78.83358	1.1
83.01247	2.4
83.04941	1.0
84.24943	0.9
85.02836	3.0
87.00750	1.8
89.02322	2.0
93.03320	1.6
96.27077	1.1
96.95874	7.1
98.95486	2.6
99.92436	1.4
101.02326	4.0
107.01292	2.4
108.02075	1.2
109.02835	2.5
113.02352	2.8
115.91968	2.0
116.92751	3.7
119.04881	2.7
121.02824	1.2
128.03455	1.5
135.04443	1.0
148.01534	1.9
148.37856	1.0
151.00249	9.6
159.04454	2.3
163.00264	1.9
163.03844	1.7
164.01047	1.2
171.50337	1.0
173.04475	1.8
178.99777	4.3
179.03380	1.8
181.04947	1.3
190.32085	1.2
191.05560	6.2
211.07573	3.0
226.02739	1.9
227.03426	2.7
243.02992	11.2
254.02213	2.3
255.02954	26.6
256.03296	2.2
267.07040	1.0
271.02460	57.9
272.02914	6.4
273.04031	1.6
299.01889	2.1
300.02722	100.0
301.03391	35.9
302.03931	2.5
306.07672	1.9
387.10706	1.1
400.04712	1.0
463.09088	6.0
505.09885	72.3
506.10217	10.9
548.30090	1.3
549.21484	1.5
549.29309	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	548.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.3
57.03313	1.5
57.17433	0.4
59.01249	50.7
60.01583	2.7
61.98673	0.9
66.71872	0.5
71.01255	8.7
72.00748	1.2
72.04412	6.0
72.99154	0.7
73.02810	3.4
74.02342	20.7
78.95759	2.2
83.01234	1.6
83.04884	0.8
85.02828	5.1
85.90591	0.6
86.05984	2.3
87.00741	2.7
87.05489	0.6
89.02299	2.0
93.03328	5.4
95.01237	0.8
96.95882	1.3
99.00745	1.0
100.00280	0.8
101.02325	5.0
102.77992	0.5
107.04871	1.0
111.04413	0.7
113.02336	4.8
114.02645	0.9
115.91936	0.9
116.04146	0.7
116.04951	13.1
117.05276	0.5
119.04910	11.9
124.07498	0.7
125.02343	1.0
127.03960	0.5
130.06520	0.5
133.05144	0.6
134.05992	1.2
135.04414	8.0
136.04759	2.6
136.07588	1.1
137.02312	1.6
142.06549	2.5
143.03381	1.1
152.99464	0.8
154.12256	1.4
155.10680	1.2
159.09152	1.7
161.02306	0.7
161.04445	2.6
162.05510	0.7
163.03912	4.5
171.10202	0.9
173.04457	4.1
173.05719	0.7
173.08301	0.6
177.01840	0.5
179.03380	3.2
179.11861	0.8
180.06592	14.0
180.10101	0.8
182.08145	0.6
187.07285	0.5
191.05539	4.2
192.05818	1.0
192.10263	1.4
194.11870	2.8
194.13284	0.6
198.11278	2.0
203.08200	6.1
204.08542	0.6
211.14450	1.0
215.06883	0.6
229.68854	0.6
232.41344	0.5
238.10777	1.9
244.13342	1.2
251.13934	1.4
256.17017	0.6
267.14941	0.8
269.15076	0.6
272.16620	1.1
274.18207	0.9
282.15146	0.5
295.13007	1.0
300.15869	1.3
313.19351	1.0
323.17618	0.9
340.19943	0.7
344.15137	1.5
345.29984	0.9
357.18018	2.2
362.15942	1.1
367.16577	1.1
373.14990	1.1
375.18988	1.4
385.17636	0.8
419.18124	2.0
486.23697	2.0
487.25833	0.5
487.32495	3.3
488.32938	9.4
489.33902	2.9
504.25729	0.9
505.33871	1.7
506.34363	5.5
507.35178	1.2
538.82391	0.5
548.23938	100.0
549.24274	21.0
549.31384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	18.3
71.01247	2.6
73.02802	0.9
85.02769	1.0
86.82042	0.9
89.02293	2.3
98.19775	2.6
101.02315	3.6
113.02328	1.6
137.66095	0.9
161.04477	1.0
165.00995	1.2
182.29436	0.8
229.47215	0.9
229.49153	0.9
233.18990	1.5
235.08316	1.0
251.20137	100.0
252.20477	7.5
253.09239	14.9
309.31104	1.0
324.46115	0.9
443.07968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.5
55.67527	0.4
56.35123	0.5
57.03310	1.6
58.00449	0.6
59.01252	14.5
67.01759	0.8
67.57819	0.4
69.03326	0.5
69.99805	2.4
71.01253	7.1
72.99174	0.8
73.02814	1.5
78.95794	1.3
79.02274	0.4
83.01253	0.9
85.02824	2.6
87.00749	1.9
89.02316	6.9
93.03330	3.9
97.02779	0.5
97.06463	1.4
99.00768	0.5
99.08038	1.3
101.02325	7.5
111.04370	0.7
113.02337	4.4
113.09628	2.3
119.03381	1.7
125.02325	0.5
127.07537	0.5
129.09113	3.7
131.03410	0.6
134.03662	0.7
139.11195	0.7
141.09047	0.6
143.03386	0.9
151.11140	1.0
152.99501	0.6
161.04482	3.6
163.11171	0.5
169.12251	2.6
171.10197	0.5
173.04472	5.5
174.04791	0.8
175.05049	0.5
179.05560	0.9
181.12265	4.2
183.13826	1.9
191.05556	2.9
192.05872	0.7
193.12292	0.8
195.13939	0.6
197.11754	8.3
199.07451	0.8
199.13332	4.4
211.13339	16.7
211.47545	0.5
212.13669	0.9
215.06993	1.0
253.09264	31.6
254.09662	1.0
275.20215	1.1
281.75928	0.5
293.21231	21.1
294.21603	2.3
309.20901	0.6
311.22275	100.0
312.22607	11.7
368.73468	0.6
373.16666	1.1
487.32544	1.5
505.33557	0.8
547.22308	0.6
547.31219	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
57.03315	1.2
58.00467	1.2
59.01249	13.6
61.98684	0.5
66.53571	0.4
67.01757	1.1
69.03343	0.5
71.01250	7.8
71.57374	0.8
73.02808	1.6
76.85281	0.4
78.95771	1.3
83.01238	0.8
83.04894	1.0
85.02808	3.0
87.00748	1.6
89.02316	7.8
92.80303	0.4
93.03338	4.8
94.03677	0.7
95.01264	1.0
96.95844	0.5
97.02832	0.5
97.06495	0.5
99.08035	1.8
101.02319	7.1
111.04401	0.9
111.08061	0.9
113.02324	4.6
113.09608	3.1
119.03365	2.2
125.09608	0.7
129.09119	4.1
130.43616	0.4
139.11125	0.5
141.09113	0.4
143.03424	0.9
149.04411	0.4
151.11163	0.9
153.09218	0.4
153.12743	0.8
155.10693	0.4
161.04462	3.9
163.11166	0.4
167.10637	0.6
167.14302	0.6
169.12296	2.4
171.10210	0.6
173.04469	7.7
174.04764	1.3
179.05659	0.7
181.12207	4.2
183.13843	1.4
185.06044	0.5
191.05559	3.8
192.05899	1.0
193.06009	0.7
193.12254	1.3
197.11772	8.3
198.12196	0.7
199.07553	0.6
199.13316	5.1
206.78055	0.4
211.13329	18.8
212.13657	0.8
215.07149	1.0
216.07431	0.6
249.22284	0.9
253.09262	28.8
254.09605	1.9
275.20212	1.1
293.21213	18.5
294.21606	1.7
309.20364	0.5
311.22269	100.0
312.22656	10.9
345.53677	0.4
373.16269	0.8
487.32764	1.4
505.34271	0.7
547.21490	0.5
547.31299	1.4
548.22986	0.8
548.31073	0.5
552.68121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.8
59.01248	12.8
67.01756	1.5
69.29236	7.4
71.01245	7.0
73.02831	1.4
78.95760	1.4
83.04887	1.3
85.02820	2.6
87.00751	1.4
89.02310	6.1
93.03333	5.3
98.20612	1.3
99.08022	2.3
101.02320	7.0
111.04408	1.0
113.02328	2.9
113.09601	2.2
118.97251	0.7
119.03373	1.1
129.09082	4.0
139.11072	1.3
143.03432	0.8
148.47443	0.9
148.59151	0.8
159.04399	0.9
161.04436	4.3
167.14391	0.9
169.12228	2.4
171.10123	2.8
173.04494	6.7
174.04814	1.3
179.05573	1.3
181.12236	4.0
183.13797	1.7
191.05507	3.0
193.12294	2.2
197.11752	5.6
199.13321	4.0
209.11775	3.4
211.13327	15.5
212.13618	0.9
227.12917	0.9
253.09251	30.0
291.90121	0.9
293.21225	10.5
294.21521	0.9
311.22260	100.0
312.22617	6.9
373.16672	1.0
395.52499	0.8
449.14255	1.2
547.26373	1.4
547.34241	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
59.01251	10.1
61.98703	0.6
63.02269	0.6
65.00207	1.0
67.01778	0.6
69.03345	0.4
71.01250	4.4
71.58298	0.4
72.99198	0.6
73.02822	0.7
75.16586	0.3
79.95624	0.3
81.03303	0.3
83.01242	1.3
83.04898	0.6
85.02835	1.9
87.00760	1.6
89.02316	2.1
93.03338	3.2
95.01313	0.5
96.95891	9.3
97.02836	0.4
97.06486	0.3
99.00764	0.6
99.20735	0.3
101.02331	2.2
107.01271	2.7
108.02059	1.8
109.02843	1.9
111.00797	0.5
111.04401	0.8
113.02336	1.9
119.03378	0.7
119.04931	1.1
121.02845	1.4
124.01521	0.3
125.02335	0.4
133.02847	0.6
134.03636	0.5
135.00786	0.8
135.04390	2.2
137.02332	0.9
137.09651	0.3
143.03459	0.3
145.02827	0.3
146.08124	0.3
148.01555	1.7
149.04448	0.5
151.00275	7.5
153.01878	0.4
155.10684	0.9
157.08640	0.5
159.04376	0.3
161.02391	0.5
161.04457	0.5
163.00275	2.3
163.03905	1.3
164.01025	0.8
165.01913	0.4
169.01329	0.7
171.04372	0.5
171.70650	0.3
173.04471	5.1
174.04852	0.5
175.03856	0.6
177.01788	0.3
178.99763	3.6
179.03432	0.8
179.05440	0.6
180.06544	0.5
183.04439	0.8
187.03993	0.5
190.99828	0.3
191.05534	5.8
192.00529	0.4
192.05894	1.2
193.06032	0.6
198.03116	0.5
199.03937	1.4
199.09752	0.5
201.01900	0.6
201.05476	0.5
201.09128	0.3
203.03459	0.7
207.05029	0.9
209.11787	0.4
211.03973	1.3
215.03479	1.3
216.04272	0.4
226.02660	2.1
227.03455	3.9
228.03935	0.5
229.01437	0.5
229.04967	0.6
230.02267	0.3
242.02113	0.4
243.02966	12.0
244.03392	1.1
245.04448	0.8
254.02168	2.6
255.02963	27.1
256.03305	2.3
270.01822	0.4
271.02472	61.8
272.02893	6.1
273.03876	0.6
275.20154	0.4
283.02377	0.8
284.13693	0.4
293.21262	0.4
298.00986	0.4
299.01971	3.5
300.02744	100.0
301.03415	31.1
302.03955	1.3
311.15698	0.3
328.16339	0.6
353.14096	0.4
354.14346	0.4
355.14810	0.6
371.15082	0.4
372.15131	0.6
373.15707	0.6
373.25952	0.8
385.22217	0.6
450.04602	0.5
473.27524	0.5
487.08908	1.1
505.09918	7.4
506.10333	0.8
529.29871	0.3
547.10864	39.4
548.11285	6.4
548.30481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24511	1.3
59.01241	10.7
59.14196	1.3
60.56778	1.1
63.02264	2.3
65.00186	5.0
65.99711	3.4
71.01240	4.0
71.58265	2.0
71.58611	1.4
73.02795	4.0
83.01255	3.5
84.63834	1.2
85.02802	3.2
85.08746	1.2
87.00770	5.5
88.63669	1.2
89.02316	1.3
92.97691	1.1
93.03338	10.1
95.01240	3.5
96.95903	3.0
99.00764	2.6
101.02299	1.8
107.01267	6.6
109.02830	4.8
111.00764	1.7
111.04422	1.4
118.02854	3.1
121.02857	6.3
122.02348	1.9
123.00764	3.6
124.01577	1.5
125.02352	2.7
132.02060	4.4
133.02841	2.6
134.02373	8.0
135.00751	2.6
135.04398	2.6
137.02341	15.0
139.00269	2.1
145.02769	1.3
146.02365	1.6
147.04376	1.3
149.02338	3.8
151.00285	26.6
151.03821	1.4
151.28516	1.0
152.00938	1.8
153.01822	1.8
155.03456	1.5
158.02361	1.7
161.02446	1.3
162.01866	19.3
163.00291	6.3
164.03447	21.4
166.99704	1.4
169.01353	3.8
171.03050	2.1
171.04482	1.7
172.03931	2.6
173.04474	8.3
174.04764	1.4
175.02420	1.3
175.03827	1.5
176.01147	2.2
177.00375	0.7
177.01833	22.4
178.99817	11.2
183.04449	3.3
186.01866	6.7
187.03943	2.2
190.01364	8.0
191.05536	12.9
192.00581	2.5
192.05835	3.9
193.01363	1.6
199.04031	1.7
202.99940	1.2
203.02115	4.4
204.02954	19.4
205.01224	2.2
210.05641	1.4
211.03873	2.7
224.71176	1.1
227.03470	12.8
229.05046	2.4
230.00906	2.5
239.03452	4.1
240.04301	1.6
243.02931	4.0
250.05038	3.2
253.04842	2.1
254.02113	1.7
254.04552	2.9
255.02966	26.4
255.05475	2.4
256.03574	3.8
256.06143	1.8
257.04526	4.6
259.02441	2.7
266.04489	2.5
267.02875	2.6
269.04395	3.9
270.04129	4.4
271.02432	8.7
272.03152	5.1
273.04010	3.1
278.04669	3.2
279.03018	9.3
283.02441	16.2
283.13242	2.0
284.03137	8.5
284.05826	2.1
284.13708	1.6
285.03989	4.4
294.04065	4.6
297.04059	6.3
298.04349	1.6
299.04364	2.8
300.02585	12.8
301.03497	31.2
302.03922	2.1
305.03229	3.4
306.04065	20.1
307.04538	2.1
311.12982	2.8
312.05099	2.0
312.13257	2.1
323.04330	24.9
324.05087	50.8
325.05435	4.4
327.15875	2.1
328.16306	3.4
337.09357	2.8
340.04654	1.8
341.05374	33.3
341.09479	1.9
342.06116	6.0
354.14163	2.7
363.63168	1.2
371.15042	3.0
372.15302	4.1
381.08118	2.8
426.10242	10.8
437.10767	1.4
452.08334	4.5
479.12198	1.8
489.10272	3.1
505.09869	19.5
506.10236	3.5
528.11475	19.3
529.11853	2.1
546.12506	100.0
547.12640	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	545.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75761	0.6
57.03329	1.2
59.01250	23.8
60.31141	0.5
60.99189	1.8
65.03870	0.6
67.01762	9.1
67.02088	0.6
69.03001	0.6
69.03355	2.7
69.29650	2.9
69.30070	3.2
71.01250	6.6
73.02855	0.7
81.03360	2.5
83.01278	0.8
83.04890	3.0
85.02820	9.3
87.00750	41.0
89.02325	1.2
93.03333	55.7
94.03676	1.5
95.01302	0.6
97.02851	1.0
99.00777	1.0
99.04450	1.3
101.02332	2.6
109.02862	2.4
111.00743	0.8
111.04400	11.1
111.05122	0.9
113.02346	1.1
127.03925	2.5
129.01814	1.3
135.04401	1.1
136.01636	0.6
137.02322	4.9
154.02635	1.3
155.03403	7.9
158.03658	1.8
158.07304	1.9
159.04477	3.6
171.02954	1.2
171.04335	1.0
172.05197	3.9
173.04474	100.0
173.05783	4.1
174.04829	4.0
174.06731	1.7
177.01889	1.2
182.03664	4.5
183.04428	1.4
185.05966	1.1
186.06792	11.0
187.07579	8.4
188.08145	0.7
189.09088	1.3
190.45428	0.6
191.05536	93.9
192.05920	3.6
197.11720	1.5
199.03947	1.3
200.04723	5.9
201.05499	7.8
201.09131	5.0
202.06070	0.9
211.07565	6.9
211.13257	0.9
212.08264	2.0
213.09138	1.1
214.06294	19.5
215.07082	24.5
216.07451	2.4
227.03578	0.8
228.07922	1.1
229.08664	14.6
230.09370	5.3
231.10149	0.8
233.06517	4.5
251.16498	0.8
253.09215	3.4
255.06528	2.2
256.07419	7.1
257.07761	0.9
273.07721	1.9
274.08456	5.2
275.08856	0.8
283.13257	0.9
291.19638	1.7
309.15021	4.6
309.20670	7.2
310.21170	0.8
311.12921	4.5
312.13101	0.7
327.15872	1.0
353.13843	1.9
353.78116	0.6
371.15002	19.6
372.15259	2.3
383.46445	0.6
485.30359	0.6
545.20306	12.9
546.20416	2.3
571.06567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03766	1.2
59.01262	2.3
63.96113	1.2
64.63308	1.1
66.69151	1.2
67.30749	1.2
71.01244	5.8
71.57133	1.1
73.02822	2.1
78.98451	4.2
79.95602	7.7
80.96390	46.7
83.83543	1.1
85.02831	4.2
87.00757	2.7
91.02006	1.3
93.03349	1.2
94.97961	12.9
96.95896	6.0
101.02267	2.7
106.97944	2.8
116.20483	1.2
122.97491	2.8
125.02319	2.5
127.00256	1.6
128.03383	1.4
134.97478	2.8
148.99030	4.4
152.98515	5.4
157.17612	1.1
164.98547	7.4
182.99585	1.7
191.05507	4.9
201.11267	2.8
206.99599	3.9
225.00679	17.0
252.32632	1.2
299.04428	1.8
355.69617	1.2
426.48505	1.4
501.16492	12.5
527.17731	2.0
545.19073	100.0
546.19531	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	545.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.4
59.01251	5.9
66.98772	0.3
69.28869	3.7
71.01253	3.2
73.02811	1.6
77.03866	0.5
78.98451	0.5
79.95611	0.9
80.96393	4.1
82.95964	0.5
83.01247	1.0
85.02821	1.5
87.00751	1.1
88.34091	0.3
89.02319	1.2
93.03336	1.6
94.97949	0.9
96.95883	2.7
97.02824	0.7
98.19822	0.7
98.95491	0.4
99.00764	0.7
101.02330	2.8
101.95591	0.4
102.32475	0.4
107.04911	12.9
108.05242	0.6
111.00760	0.4
111.04420	0.5
113.02335	1.1
121.02855	4.2
123.04392	0.5
125.02313	1.0
126.58342	0.4
133.02858	0.7
135.04431	5.2
137.02353	0.4
140.72531	0.3
143.03401	0.8
149.04500	0.4
150.03128	0.4
151.03935	2.1
161.04465	1.0
164.04582	0.3
164.98541	0.6
165.05530	0.4
165.75015	0.4
173.04480	1.9
179.03421	100.0
180.03763	4.9
191.05534	3.9
192.05992	0.4
195.06516	0.4
203.05573	0.6
203.10744	0.6
203.20709	0.3
207.05080	0.5
221.06714	0.4
225.00710	1.0
263.07755	0.6
283.09760	0.4
287.07953	0.6
297.12329	0.4
305.08878	0.9
315.86691	0.4
327.08588	0.5
336.66669	0.4
337.40985	0.4
399.01840	0.4
409.57672	0.4
516.56708	0.4
527.17999	1.6
545.18622	4.9
546.18884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11251	0.5
51.54992	0.5
51.73021	0.5
52.17844	0.5
59.01252	3.8
63.02263	1.3
64.31440	0.5
65.00185	2.2
67.52391	0.5
71.01252	1.2
82.58710	0.5
82.60402	0.5
83.01262	1.3
85.02807	0.7
87.00754	4.6
88.39058	0.5
93.03313	3.0
96.95878	0.8
98.20588	0.8
107.01274	3.0
109.02832	1.6
111.04355	0.8
125.02327	1.5
133.02782	1.0
135.00748	0.6
145.02846	1.1
147.03130	1.0
149.02145	0.6
151.00282	8.6
152.00731	0.5
155.03418	0.9
160.03911	1.1
161.02353	1.0
163.00244	0.8
169.01311	0.7
170.02403	1.0
171.04408	1.4
172.03882	0.9
173.04471	7.3
175.03883	0.8
178.99773	3.7
179.70084	0.6
186.01768	0.9
187.00291	0.6
187.02588	1.6
187.04034	1.1
191.05519	10.3
198.01804	0.5
199.03960	5.2
201.01878	1.4
211.04008	1.4
215.03461	2.0
223.03941	0.7
225.09027	0.9
227.03479	3.8
228.04155	1.0
229.80124	0.6
239.03357	1.4
239.07149	0.5
239.10669	0.7
242.02261	0.6
243.02992	6.5
245.04471	0.6
253.08405	0.7
255.02930	5.5
255.13861	0.7
256.03516	1.3
266.04587	0.9
267.02759	2.6
267.10324	0.8
269.04431	0.6
271.02475	43.1
272.02960	5.0
282.04001	3.0
283.02386	3.1
283.13364	2.1
284.03049	0.9
293.03357	1.0
294.04132	7.0
295.02222	4.4
296.02872	0.9
297.03891	1.7
299.01947	100.0
300.02493	11.0
301.03406	7.1
310.03586	4.5
311.12698	2.9
312.02744	1.4
313.03577	3.3
314.04190	0.9
322.03485	10.9
323.04245	4.2
324.05093	10.6
327.12479	1.1
327.16034	3.1
338.03149	0.8
339.03815	32.3
340.00671	1.2
340.04492	12.0
341.05011	1.1
353.14035	1.4
371.14911	4.7
467.66852	0.7
477.10251	0.9
480.43088	0.6
502.09659	0.9
503.09140	0.6
504.09082	23.8
505.09491	3.4
506.10226	1.2
517.09662	1.0
544.10980	43.5
545.11407	6.2
545.19159	0.7
558.01746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.1
57.03328	2.8
58.00477	1.3
59.01250	100.0
60.01579	1.0
60.99179	0.7
67.01757	1.8
68.36831	0.4
69.03329	2.6
70.91330	0.6
70.91658	0.8
71.01251	30.9
71.04889	1.4
72.99187	1.6
73.02817	9.7
75.00751	0.5
79.95580	0.9
80.96377	1.0
81.03335	2.0
83.01255	5.0
83.04903	2.0
84.74812	0.5
85.02824	11.5
85.06493	0.6
85.99989	0.8
87.00747	5.7
87.04384	5.1
87.41464	0.4
89.02312	11.0
93.03329	9.2
94.03710	0.6
95.01247	2.5
95.04901	0.6
96.95889	1.1
97.02850	1.4
97.06483	0.8
99.00743	3.5
101.02320	18.7
101.05949	0.9
102.02680	0.7
106.32276	0.4
109.02818	0.6
109.06469	1.5
111.00753	1.8
111.04386	2.3
112.01571	0.6
113.02328	16.2
113.05889	0.6
114.02704	0.6
115.03858	0.7
119.03381	4.2
121.02773	0.5
121.06499	0.9
123.08035	0.6
124.01569	0.6
125.02399	2.2
125.09622	1.7
127.07524	0.9
127.11181	0.5
135.04395	0.8
137.02377	0.5
139.07571	0.8
141.01843	0.5
143.03381	2.9
149.04443	0.5
151.11166	1.1
155.03499	0.7
155.07121	0.4
159.02922	1.1
161.04456	8.1
161.09671	1.6
163.11240	1.0
171.10229	1.3
173.04474	13.5
174.04741	0.6
179.03859	0.4
179.05530	2.2
179.10704	3.8
181.12173	0.8
185.11760	0.8
191.05560	8.7
197.11757	14.6
198.03128	0.5
198.12112	1.1
199.07596	1.4
201.11275	4.5
207.10257	1.1
209.11758	6.5
210.12244	0.5
212.04790	0.6
213.05470	1.1
215.18092	0.8
225.11281	2.0
227.05197	0.5
227.07040	2.6
227.12863	1.1
228.07855	1.3
229.08591	0.8
241.10802	1.0
243.12408	0.7
245.19107	1.2
251.20085	0.6
253.09224	3.3
267.19620	0.6
289.18079	16.2
290.18555	2.1
293.21304	0.6
297.07816	0.4
297.13242	0.6
307.19012	2.6
315.14627	1.7
325.14600	1.1
339.25299	4.4
351.12408	0.8
366.64679	0.5
369.13190	2.5
369.22852	3.1
395.24402	4.9
413.25574	1.9
465.28629	1.2
483.29547	26.7
484.30154	4.0
499.25607	3.6
501.30692	22.1
502.31009	2.7
516.00769	0.5
525.27063	12.8
526.27435	2.0
543.18323	2.1
543.29346	4.9
543.30817	4.6
544.29309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09699	0.3
53.58575	0.3
55.01757	0.7
57.03316	1.0
58.00470	1.1
59.01249	100.0
60.01583	0.9
61.98689	0.4
69.03324	1.1
69.31497	2.7
71.01251	31.4
72.01616	0.5
72.99178	1.3
73.02817	25.9
74.03179	0.2
75.00726	0.6
77.72662	0.2
80.96372	0.4
83.01261	7.5
85.02823	7.7
87.00764	1.6
87.04415	1.0
89.02315	9.1
90.02699	0.3
93.03348	1.3
95.01265	2.3
96.95892	0.6
97.02831	0.6
99.00770	0.9
101.02320	25.5
111.04385	0.3
113.02328	19.6
114.02660	0.4
115.03915	0.4
119.03391	4.2
125.02363	1.4
131.03392	2.6
134.03635	0.8
135.04408	4.4
137.02396	0.5
143.03418	2.8
147.04321	0.3
149.04462	3.2
155.03439	0.7
155.10744	0.3
159.10129	1.6
161.04471	7.7
171.10278	0.4
173.04483	2.3
177.01833	0.3
179.03439	1.2
179.05516	1.4
191.05531	2.6
193.05014	0.5
203.05602	0.4
206.56949	0.3
221.06711	1.0
325.14447	0.6
367.10507	0.6
369.13660	0.4
418.56781	0.3
483.29654	2.1
501.31009	1.1
507.18384	0.3
543.28809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94492	0.2
55.01743	1.0
57.03318	1.6
58.00460	0.6
59.01249	100.0
60.01567	1.1
67.01785	0.2
69.03331	0.8
69.26154	1.2
69.26582	1.0
71.01253	20.7
72.01629	0.3
72.99192	0.8
73.02820	8.1
75.00748	0.4
80.96360	0.2
81.03335	0.3
83.01257	3.2
83.01705	0.3
83.04900	0.5
85.02824	8.0
85.99982	0.4
87.00757	2.4
87.04382	2.3
89.02313	8.3
90.02592	0.2
93.03345	0.2
93.91167	0.2
95.01261	1.9
95.04880	0.2
96.95921	0.3
97.02795	1.1
97.06454	1.9
99.00755	2.2
101.02319	14.4
101.05952	0.4
102.02709	0.3
111.00746	1.6
111.08074	0.4
112.01579	0.8
113.02328	10.3
115.07555	0.3
119.03388	3.3
124.01559	0.4
125.02338	1.7
125.09618	0.3
127.07534	0.3
131.03432	0.5
136.19481	0.2
139.07578	0.7
139.11227	0.2
141.01843	0.2
143.03400	2.7
155.10709	0.8
159.02913	0.8
159.06616	0.3
161.04456	6.8
162.04819	0.3
163.14879	0.3
164.98439	0.2
167.10751	0.9
168.42770	0.2
173.04482	0.4
179.05533	1.3
180.88318	0.2
181.12282	0.3
191.05493	0.9
209.11871	0.2
213.14871	0.6
227.16490	0.3
253.09274	0.3
281.62482	0.2
289.18213	0.3
293.21277	0.4
307.19147	1.0
315.18076	2.6
316.18475	0.2
325.14432	0.3
339.25336	1.5
340.25735	0.3
343.17673	1.3
353.19720	0.3
369.13156	0.2
371.20657	3.5
371.24841	0.2
372.20938	0.3
389.21933	0.7
395.24353	5.0
395.29202	0.3
396.24887	0.6
409.26031	0.2
413.25446	3.0
414.25491	0.3
431.26810	0.3
447.27744	0.5
465.28632	1.5
466.28784	0.4
474.50006	0.2
483.29633	16.9
484.30054	2.6
501.30664	15.4
502.31418	2.4
543.20477	0.2
543.29010	0.8
544.27722	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	543.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.0
57.03328	1.2
58.00463	0.7
59.01250	100.0
60.01587	1.1
68.19976	0.3
69.03329	1.0
70.50302	0.2
71.01252	19.1
71.04876	0.3
72.01590	0.3
72.99187	0.8
73.02821	5.4
74.02380	0.3
74.95856	0.2
80.12526	0.2
80.96390	0.3
81.03352	0.7
83.01244	2.4
83.04900	1.8
85.02824	6.4
87.00751	2.2
87.04379	2.1
89.02313	9.5
90.02687	0.3
92.66371	0.3
93.03355	0.3
95.01254	1.6
96.95861	0.3
97.02834	0.9
97.06460	2.8
99.00758	2.1
101.02321	11.8
101.05947	1.6
104.75254	0.3
111.00816	0.7
111.04472	0.4
111.08018	0.3
113.02332	11.2
114.14876	0.2
116.07066	0.5
119.03391	3.9
125.02315	1.4
125.09588	0.3
131.03435	0.7
135.04428	0.5
139.07539	0.6
143.03394	2.5
144.27724	0.2
149.04448	0.5
152.07133	0.2
159.02901	0.7
161.04463	6.8
167.03506	0.3
167.10669	1.3
173.04501	1.1
177.01802	0.3
179.03654	0.2
179.05544	1.9
180.06586	0.4
181.12334	0.7
188.09312	0.3
191.05524	1.9
206.69078	0.3
209.11882	0.3
227.07129	0.4
246.68736	0.3
251.20074	0.3
267.10025	0.3
295.18851	0.3
307.19202	0.7
315.18164	1.1
321.24329	0.4
325.14423	0.5
332.13498	0.3
339.25424	2.4
340.25641	0.3
363.49359	0.3
369.13297	0.4
381.26608	0.3
395.24362	1.6
413.25549	1.8
414.26202	0.3
455.33752	0.4
465.28687	1.0
483.29605	13.1
484.30136	2.1
499.32892	0.4
501.30701	10.9
502.31204	1.1
526.26593	0.3
543.26660	1.5
544.27557	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	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
57.03327	2.0
58.00471	0.9
59.01248	16.7
65.32748	0.3
67.01757	0.5
69.03326	1.2
71.01250	11.7
71.57169	0.5
72.99177	0.6
73.02805	2.5
75.23112	0.3
79.95611	0.5
80.02562	0.6
81.03327	1.6
83.01250	2.6
83.04887	2.1
84.02033	0.3
85.02816	3.7
87.00739	2.1
89.02316	10.5
91.03878	0.6
93.03342	0.6
95.01263	0.9
95.04913	1.8
97.02837	2.5
97.06464	5.6
99.00773	0.7
99.04389	0.7
101.02319	12.0
102.02655	0.3
106.04137	0.4
107.04914	0.4
109.06475	1.3
110.03644	0.4
111.04462	0.7
111.08047	0.5
113.02332	4.8
119.03387	2.6
119.04937	0.3
119.08559	0.9
121.06461	1.6
121.33564	0.3
123.04411	3.0
123.08039	2.1
125.02325	0.6
125.05952	0.8
125.09608	5.5
131.03307	0.7
133.04929	0.4
133.06589	0.3
135.08041	1.4
135.20224	0.3
135.69659	0.3
136.05278	0.4
137.06015	0.7
137.09624	3.9
139.11209	0.3
141.09102	0.4
141.12738	1.4
142.02650	0.7
143.03403	0.9
149.05983	0.7
149.09586	0.4
150.10448	0.3
151.11182	1.0
161.04474	4.5
161.09608	0.9
162.04800	0.3
163.07568	0.7
163.11188	9.2
164.11536	0.5
165.09134	0.4
165.12772	1.7
167.10628	0.5
170.16057	0.4
171.10167	1.3
173.04474	1.6
173.09564	0.4
175.11244	0.5
177.12732	0.4
179.05458	1.5
179.10663	0.9
181.12286	1.7
183.13780	0.4
185.06007	0.3
185.11740	6.1
189.12785	0.8
189.14449	0.3
191.05490	1.6
191.10684	0.9
191.14322	9.2
192.14716	1.2
193.12358	0.7
202.13527	0.4
203.14291	0.5
204.80627	0.3
207.10202	3.9
209.11761	23.6
210.12115	1.2
211.13254	1.8
215.14423	0.5
217.15967	1.5
219.10262	0.4
225.11218	3.5
226.11903	1.1
227.12854	0.4
227.17976	0.6
228.07884	0.6
235.08266	0.9
237.11278	12.6
238.11621	0.8
243.17482	0.9
245.19072	20.0
246.19452	1.5
247.17030	0.6
253.09242	40.1
254.09628	2.0
263.20142	5.7
264.20572	0.7
271.17017	3.2
281.21274	1.2
287.16635	0.4
289.18076	92.1
290.18408	9.2
307.19125	100.0
308.19458	9.4
325.14355	0.4
325.20328	0.8
392.04385	0.4
525.27094	0.7
543.27972	4.5
544.28369	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	543.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42839	0.7
57.03316	1.2
59.01254	9.4
60.96621	0.7
61.98696	1.1
62.33312	0.7
63.96102	1.8
68.99677	0.9
69.03304	1.5
71.00887	1.2
71.01248	14.7
71.34790	1.3
72.99160	1.4
73.02823	3.9
74.10542	0.7
75.00776	1.1
76.30440	0.8
78.98109	0.7
78.98460	9.0
79.79820	0.8
79.95605	35.1
79.98285	0.7
80.96389	100.0
81.03320	2.1
83.01257	1.2
83.04828	0.9
85.02831	5.1
87.00740	4.8
89.02290	1.3
93.03334	4.6
94.97961	23.4
95.01245	1.0
96.95884	44.4
97.02801	2.4
99.00729	2.0
101.02318	6.3
106.97961	3.9
108.02005	3.4
109.02789	2.7
111.04395	1.3
113.02305	1.6
115.66631	0.9
120.37900	0.8
122.03610	1.0
122.97468	8.5
123.04366	1.4
125.02322	5.7
127.03882	2.1
132.04385	0.9
134.97472	7.8
135.04352	2.8
136.99005	1.9
137.02271	2.0
148.99019	8.3
151.03870	1.0
152.00980	2.5
152.98526	9.4
153.01788	1.8
155.03345	1.9
161.04443	1.6
163.03882	1.2
164.97258	1.2
164.98537	16.4
165.01736	0.9
165.05394	1.1
173.04411	2.6
181.12172	0.9
182.99644	3.8
191.05559	5.9
203.07106	1.0
206.99631	4.4
207.10179	1.1
225.00685	42.5
225.11185	3.3
226.00925	1.4
241.00320	1.0
243.01726	4.2
243.12314	2.0
279.04837	1.3
292.29440	0.8
299.04337	4.5
317.16101	1.0
369.13330	2.2
395.27356	0.8
399.09494	0.9
471.15115	2.6
485.16675	3.4
497.16943	4.4
499.18304	1.5
525.16425	38.6
526.16852	5.6
543.17352	55.5
544.17834	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	541.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.9
59.01249	12.8
68.63186	0.3
69.03331	0.8
71.01259	3.0
71.58449	0.6
72.99184	1.5
73.02826	2.3
81.03325	1.2
83.01254	1.7
83.04884	0.4
85.02829	4.1
87.04388	1.5
89.02309	0.6
93.03323	1.5
95.01264	2.9
96.95885	0.8
97.02845	0.8
97.06382	0.3
99.00772	0.5
99.32513	0.3
101.02310	1.8
108.02046	63.2
109.02837	47.7
109.06525	0.4
110.03162	1.0
111.04427	0.4
113.02321	0.9
121.02835	4.7
122.16604	0.3
123.00760	2.4
123.04385	1.7
125.02318	0.7
133.02843	0.6
135.00784	0.4
135.04387	1.6
137.02312	1.2
137.09605	0.9
139.11180	6.9
151.03886	1.2
152.01050	71.9
153.01839	26.8
153.03636	0.5
154.02173	0.8
155.10677	4.5
163.03880	1.2
163.11243	0.6
164.04689	8.2
165.05382	0.6
165.09053	0.4
169.12221	0.8
173.04420	1.0
179.03462	0.8
179.07043	4.8
179.10620	0.9
180.07356	0.3
181.08546	0.5
181.12267	3.2
183.10173	7.9
184.10516	0.4
191.05537	0.5
191.10704	0.5
195.02888	0.4
195.10223	0.4
197.04378	0.9
197.08142	1.6
197.11649	0.5
199.09669	3.9
199.13319	0.4
203.10745	0.3
225.11255	2.6
241.10692	1.0
243.12299	1.3
253.10628	0.4
283.11826	2.4
297.05997	0.4
315.07059	0.5
343.13919	0.8
479.19162	3.3
480.19531	0.4
481.17157	5.1
482.17242	0.8
497.20294	5.5
498.20502	0.6
523.18127	2.7
524.18396	0.5
541.19177	100.0
542.19537	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	541.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.9
59.01249	12.8
68.63186	0.3
69.03331	0.8
71.01259	3.0
71.58449	0.6
72.99184	1.5
73.02826	2.3
81.03325	1.2
83.01254	1.7
83.04884	0.4
85.02829	4.1
87.04388	1.5
89.02309	0.6
93.03323	1.5
95.01264	2.9
96.95885	0.8
97.02845	0.8
97.06382	0.3
99.00772	0.5
99.32513	0.3
101.02310	1.8
108.02046	63.2
109.02837	47.7
109.06525	0.4
110.03162	1.0
111.04427	0.4
113.02321	0.9
121.02835	4.7
122.16604	0.3
123.00760	2.4
123.04385	1.7
125.02318	0.7
133.02843	0.6
135.00784	0.4
135.04387	1.6
137.02312	1.2
137.09605	0.9
139.11180	6.9
151.03886	1.2
152.01050	71.9
153.01839	26.8
153.03636	0.5
154.02173	0.8
155.10677	4.5
163.03880	1.2
163.11243	0.6
164.04689	8.2
165.05382	0.6
165.09053	0.4
169.12221	0.8
173.04420	1.0
179.03462	0.8
179.07043	4.8
179.10620	0.9
180.07356	0.3
181.08546	0.5
181.12267	3.2
183.10173	7.9
184.10516	0.4
191.05537	0.5
191.10704	0.5
195.02888	0.4
195.10223	0.4
197.04378	0.9
197.08142	1.6
197.11649	0.5
199.09669	3.9
199.13319	0.4
203.10745	0.3
225.11255	2.6
241.10692	1.0
243.12299	1.3
253.10628	0.4
283.11826	2.4
297.05997	0.4
315.07059	0.5
343.13919	0.8
479.19162	3.3
480.19531	0.4
481.17157	5.1
482.17242	0.8
497.20294	5.5
498.20502	0.6
523.18127	2.7
524.18396	0.5
541.19177	100.0
542.19537	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	540.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31500	1.0
57.03313	3.0
58.00446	1.7
59.01251	28.4
60.01573	1.3
61.98691	2.7
71.01254	14.4
71.37439	1.4
71.37798	2.5
72.99162	2.3
73.02815	3.9
75.00761	5.8
78.95760	1.7
79.95598	2.8
80.96378	4.4
83.01261	2.0
85.02813	6.8
85.65362	1.1
87.00750	3.3
89.02330	8.5
90.02694	1.1
93.03325	3.5
94.06506	1.8
94.97911	1.4
96.95885	5.9
101.02320	8.8
102.02589	1.4
106.06504	1.3
107.03649	4.9
108.02048	1.4
109.02851	3.3
109.51988	1.3
111.04484	1.3
113.02326	4.7
119.03384	3.5
119.04913	1.9
120.04445	1.2
120.05257	1.1
121.02841	2.1
122.06010	30.4
123.04421	1.2
124.07600	2.1
125.02299	1.6
132.04451	1.6
134.06015	2.9
135.04410	4.4
137.02332	2.8
137.05893	1.2
138.05513	1.5
139.02673	2.5
148.03914	2.5
150.03175	2.3
151.03899	1.8
152.07076	52.8
153.01852	1.0
153.07370	1.8
161.04405	1.5
165.05455	1.7
166.04982	1.3
173.04530	2.8
174.01952	1.2
179.03313	1.6
180.06540	1.2
187.13330	1.1
191.03868	1.2
191.05557	8.4
207.10304	1.6
212.10753	13.2
213.10326	3.6
226.07388	2.5
227.12840	2.3
239.08447	1.7
240.09032	3.3
252.09015	4.0
255.11375	46.6
256.11685	3.1
266.84045	1.1
267.11368	18.3
268.11630	2.4
279.11285	1.9
281.09720	1.1
297.12137	1.5
299.10266	3.0
342.10519	3.0
377.29028	10.0
378.29211	5.4
392.19977	2.2
402.18112	1.3
420.13889	2.4
420.19199	19.2
421.19537	2.9
446.16974	2.1
464.18234	100.0
465.18665	13.7
539.34375	24.3
540.17023	2.1
540.22949	1.2
540.25861	1.7
540.34570	21.7
541.18335	2.5
541.34985	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	539.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66858	2.0
59.01244	35.6
66.30740	2.0
71.01245	33.1
71.55914	2.6
73.02821	6.6
78.95771	7.7
85.02818	6.9
87.00761	12.1
89.02313	48.8
96.95889	2.5
101.02332	25.5
113.02339	18.8
119.03372	7.7
131.03410	5.5
135.04433	7.9
143.03401	4.8
153.76453	2.1
158.92445	2.1
161.04425	12.8
177.01793	4.5
179.03453	7.5
179.05519	37.7
197.04498	3.0
221.06705	12.9
247.36159	2.3
323.09836	5.8
341.10709	8.2
377.08365	11.9
383.11551	3.0
469.90594	2.5
503.16208	100.0
504.16434	9.7
539.13855	56.5
540.06158	3.2
540.14178	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	539.2627
Annotation	CHEBI:68153
Peak:m/z	Relative Intensity
51.80998	1.5
57.03320	1.9
59.01249	24.9
61.67923	1.8
61.98681	3.4
71.01239	6.1
71.38123	3.4
73.46784	1.9
78.95776	36.1
96.95883	5.6
96.96837	3.1
99.45415	1.9
101.18245	1.8
113.09595	2.9
113.22729	2.0
129.09087	3.2
129.22701	2.1
152.99500	36.3
169.12300	3.1
171.00594	2.4
171.10188	6.8
174.99129	3.5
181.12300	3.2
183.13875	2.6
191.05547	3.2
197.11809	12.2
199.13245	2.5
202.98505	1.8
211.13382	10.2
217.00206	14.6
218.00638	2.2
227.03242	4.8
245.04132	3.5
293.21213	11.5
311.22284	44.4
312.22528	5.9
374.99133	13.0
380.64957	2.2
539.26129	100.0
540.26581	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	539.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
56.89296	0.3
57.03321	6.8
58.00473	2.1
59.01249	42.2
60.01581	0.5
60.99208	0.3
68.99715	0.4
69.03329	1.2
69.49778	2.5
71.01250	29.9
71.04881	2.0
72.99184	3.1
73.02814	6.3
75.00742	3.5
77.16878	0.3
78.95788	0.5
79.95612	0.4
80.96400	0.5
83.01252	4.3
83.04896	1.0
85.02823	10.4
85.06480	0.5
87.00745	2.4
87.04387	2.9
89.02312	23.9
93.03339	0.7
94.06490	0.5
95.01258	2.1
96.95898	1.8
97.02824	0.7
97.06483	0.9
98.95467	0.5
99.00739	1.7
99.04395	0.5
99.07997	0.3
101.02320	21.8
101.05960	5.0
102.02637	0.6
104.92693	0.3
107.03667	1.2
108.02121	0.3
109.02854	0.4
109.06472	0.4
111.00758	1.2
111.04380	0.3
111.08052	0.4
113.02327	11.6
114.02690	0.5
115.07536	1.0
119.03390	10.3
119.04811	0.7
122.06007	6.3
123.08029	1.7
124.07523	0.3
125.02343	0.7
129.01794	0.5
129.09091	0.5
131.03377	1.2
132.04451	0.3
134.06065	0.5
134.68279	0.3
135.04420	0.9
137.02377	0.3
137.09595	0.3
138.06807	0.4
139.02666	0.7
139.11197	0.6
141.09109	1.1
143.03362	1.5
143.10641	0.5
149.04482	0.6
151.03993	0.4
151.11166	0.5
152.07071	12.0
153.09090	1.7
159.02917	0.7
161.04443	2.0
169.12247	1.3
173.04436	0.7
173.11751	1.0
179.03322	0.4
179.05540	2.5
187.13304	5.4
191.05508	1.5
199.13354	0.5
209.11662	0.5
212.10738	2.7
213.10220	1.1
216.13603	0.3
217.14406	2.9
225.00772	0.3
227.12804	1.4
231.15982	1.0
239.08105	0.6
239.20268	0.3
252.09030	0.6
253.09541	0.3
254.10294	0.4
255.11351	10.7
255.19724	0.4
257.21228	0.6
265.08679	0.3
267.11411	3.8
269.13196	0.5
281.12051	0.3
287.15012	0.8
297.12305	0.7
330.12247	0.5
331.24893	0.3
341.10367	0.9
357.21384	0.3
359.27936	1.0
373.55539	0.4
375.27502	3.4
376.28009	0.7
377.29041	30.7
378.29300	3.3
379.58020	0.5
392.19781	0.5
418.18823	0.4
420.19217	7.5
452.21707	1.6
464.18262	13.6
496.20862	3.4
537.32965	0.4
539.21252	2.7
539.34320	100.0
540.34662	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	539.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64210	2.9
57.03318	6.4
59.01246	32.7
61.98685	3.2
63.02252	8.4
65.00195	19.4
67.01762	2.9
70.86186	3.0
70.86511	5.1
71.01254	13.2
73.02818	11.7
81.03334	3.6
83.01256	16.9
85.02815	11.8
87.00712	4.6
89.02300	3.8
91.01794	3.3
93.03330	17.8
94.20052	2.7
95.01279	16.9
96.95878	7.8
96.99162	3.5
97.02872	5.4
99.00740	8.7
101.02332	6.2
107.01268	33.9
108.02038	10.2
109.02848	21.6
110.35760	2.8
111.00768	19.1
113.02306	8.5
116.01017	2.4
117.03343	9.5
119.01306	3.9
119.04882	7.6
120.99537	74.8
121.02820	8.8
123.00775	23.0
123.04401	4.4
124.01531	9.8
125.02323	34.8
127.03910	3.6
129.01883	3.2
130.04175	4.2
131.04936	5.3
132.02028	3.6
133.02847	8.1
135.00786	12.3
135.04446	13.4
137.02351	21.1
139.00269	23.5
141.01830	8.3
143.04982	3.8
145.02831	7.7
145.06438	4.1
147.04395	4.9
149.02299	10.8
149.05995	3.5
151.00266	86.3
151.03917	5.6
152.01079	24.8
152.06947	2.9
153.01831	15.6
154.99718	9.3
157.01306	9.8
157.02597	3.1
159.04425	12.5
161.02321	14.6
163.00261	14.7
163.03891	8.9
164.01041	7.6
165.01852	16.6
166.99785	11.0
167.03435	2.8
169.01329	18.1
171.04378	6.5
174.03101	3.7
175.03908	8.6
176.01009	4.0
177.01794	4.7
177.05479	3.8
178.99765	64.3
179.03380	7.7
180.00224	4.9
181.01385	3.9
183.04459	10.8
185.02348	3.6
187.03967	14.1
188.04648	4.2
189.01822	16.9
189.05476	5.0
190.02586	9.1
190.99745	7.0
191.03397	6.4
191.05516	7.6
192.00581	17.4
193.01318	28.4
197.00829	5.6
199.03947	11.7
200.04655	4.4
201.01797	4.9
201.05469	10.9
203.03404	15.0
205.01317	10.6
205.04985	3.6
206.99297	23.4
208.00069	15.2
209.00839	15.6
211.03894	5.0
215.03433	11.0
216.04146	5.9
217.01390	8.8
217.04964	15.1
218.02139	7.8
219.02873	12.1
227.03418	35.7
228.04041	3.8
229.01393	6.9
229.05013	6.5
230.02037	4.2
231.02916	14.5
233.04407	8.3
241.01413	4.0
241.05109	3.8
243.02956	25.4
244.03667	8.3
245.00909	17.8
245.04529	15.3
246.01436	5.9
247.02440	25.3
255.02979	69.5
256.03577	9.2
257.04434	5.7
259.02512	14.6
260.02863	4.9
261.03970	10.3
270.01266	3.1
271.02478	55.3
272.03226	24.7
273.04050	50.5
274.04514	8.4
278.04620	6.0
282.01834	4.9
283.02423	22.4
284.03204	35.7
285.03879	12.2
287.01828	8.2
288.02576	7.4
289.03491	34.7
289.11191	3.6
290.04117	5.5
299.01904	42.7
300.02609	20.0
301.03305	19.2
302.03842	3.3
316.02142	13.2
317.03003	62.6
318.03717	12.3
319.04538	25.4
331.04480	4.1
335.04364	11.1
359.27017	2.9
406.95248	3.1
419.08252	8.5
446.33414	4.2
488.09186	5.2
489.10403	38.9
490.10660	7.2
495.18115	4.6
505.09702	32.1
506.10364	6.4
521.08850	15.7
522.09924	3.1
539.10413	100.0
539.17944	5.9
539.33691	3.2
540.10889	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.0
57.03312	2.4
59.01248	47.9
61.98698	3.0
68.65067	1.0
69.31286	2.8
69.31701	7.8
71.01254	16.3
72.99171	2.1
73.02827	6.5
74.02328	2.1
78.95769	3.8
83.01243	3.9
83.04900	1.7
84.48432	1.3
85.02818	9.6
87.00735	2.0
87.04355	1.3
88.39185	1.0
89.02309	7.4
91.65414	1.0
93.03330	4.3
96.95873	5.7
97.06442	1.3
99.00768	1.8
99.04392	2.6
101.02328	13.0
103.06450	1.0
108.02053	1.5
109.02851	1.5
111.00772	1.8
113.02334	7.2
119.03385	1.8
119.04903	4.8
123.04420	3.7
124.01516	1.4
125.02299	3.0
133.02840	2.0
134.03654	3.1
134.05977	1.5
135.04384	4.0
137.02316	2.9
143.03438	1.3
149.02330	1.6
149.99498	1.0
151.00372	1.3
152.07065	1.3
155.03413	1.0
155.10670	2.2
161.02394	1.6
161.04448	1.4
163.03957	2.4
165.05626	1.1
169.12239	1.2
171.82172	1.1
173.04480	5.7
178.02571	1.4
179.03343	1.5
181.12265	2.4
191.05540	8.8
193.04968	5.0
199.09633	1.6
205.04959	1.1
207.05083	2.3
229.08601	1.4
271.02261	1.1
287.22198	8.3
306.07645	1.2
357.26407	8.6
358.26935	1.7
373.26181	1.2
375.23257	1.7
375.27542	18.3
376.27847	2.6
433.28217	1.9
477.29669	4.9
493.20822	2.6
519.31952	2.1
537.20081	3.9
537.32776	100.0
538.33466	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.328
Annotation	Virenamide A
Peak:m/z	Relative Intensity
50.82541	0.3
55.01754	0.7
56.85137	0.3
57.03317	1.0
58.00463	1.2
58.07509	0.3
59.01250	23.7
60.01571	0.3
61.98701	0.8
62.60894	0.2
67.01746	0.3
69.43819	2.5
71.01251	11.1
71.04870	0.3
72.01592	0.3
72.99174	1.2
73.02829	2.1
78.95772	0.4
83.01246	1.5
83.04900	0.3
85.02820	4.3
87.00748	1.0
87.04390	1.0
89.02317	8.3
93.03329	0.8
95.01268	1.1
96.95893	1.2
97.06469	0.5
99.00782	0.6
99.04371	0.3
101.02322	6.9
102.02621	0.3
104.81973	0.2
109.02825	0.3
113.02337	4.1
119.03408	2.2
119.04896	2.0
120.05269	0.7
125.02265	0.4
130.06476	0.3
134.03670	0.4
135.04401	0.5
139.11172	0.5
145.02870	0.5
155.10616	0.3
157.12260	0.8
161.04501	0.5
163.03932	1.5
164.04204	0.4
169.12259	0.7
171.10199	0.6
173.04520	0.6
173.05896	0.3
179.03407	0.4
181.05002	0.4
185.11752	1.0
191.05518	1.8
201.11412	0.3
215.12845	1.0
257.48251	0.3
296.11334	0.3
327.25449	2.2
327.33380	0.2
329.23376	0.5
339.25482	1.9
355.24960	0.7
357.05258	0.4
357.26437	19.6
358.26852	2.3
373.25983	0.4
375.27490	10.8
376.27817	1.2
412.37390	0.3
477.30695	0.8
505.17963	0.6
506.90567	0.3
519.31738	1.1
520.32520	0.3
537.32776	100.0
538.33118	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	537.2551
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
51.79553	0.5
55.01753	1.0
55.15230	0.5
57.03328	2.5
58.00472	1.2
59.01250	100.0
60.01585	1.0
60.31822	0.4
60.99184	1.1
69.03328	0.6
69.45916	4.8
71.01254	17.7
72.98114	0.5
72.99184	0.9
73.02814	6.4
79.71571	0.5
81.03349	0.7
83.01263	3.4
85.02819	7.7
87.00755	1.8
87.04395	1.6
88.98676	6.0
89.02316	7.0
91.84508	0.5
93.03284	0.6
95.01279	1.1
96.95889	1.4
97.02835	1.1
99.00765	1.3
99.04394	1.8
101.02328	13.1
105.05447	4.3
109.02834	0.7
109.06495	0.7
111.00759	1.3
111.35159	0.5
113.02332	7.7
117.05464	1.0
119.03403	2.2
121.06514	0.9
124.60298	0.5
125.02338	1.5
129.01802	0.6
134.06010	1.2
135.98247	0.6
143.03430	1.3
147.06580	1.4
148.05200	0.5
151.00262	0.8
153.01732	0.6
159.02954	0.5
161.04478	6.0
165.12782	1.3
167.10617	0.5
173.04503	1.1
179.00093	1.2
189.12819	1.2
191.05556	1.7
201.14943	0.6
201.71008	0.5
207.13824	1.2
209.11777	5.9
225.14894	4.7
227.12833	29.5
228.13307	2.5
249.09761	6.1
251.12926	1.1
267.10898	9.8
268.11169	0.7
269.13971	2.1
287.15027	1.3
309.11948	2.7
375.27484	2.2
506.19696	1.2
519.24677	8.7
520.24341	1.5
537.25519	89.0
537.32037	4.0
538.18250	0.8
538.25879	13.0
538.33337	0.9
545.50439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52153	1.7
57.03324	2.3
58.00455	5.9
59.01249	90.4
64.88212	1.6
69.43301	13.7
71.01254	67.7
72.99170	7.8
73.02823	6.0
83.01247	2.5
85.02818	14.9
87.00731	6.1
89.02316	100.0
93.03331	3.9
95.01261	4.0
96.95898	46.4
97.02807	2.6
98.20535	3.5
101.02325	37.0
108.02058	3.0
113.02325	25.5
119.03377	34.1
121.02878	2.2
128.67715	1.7
131.03412	3.7
131.86554	1.8
135.04387	5.2
143.03409	4.3
145.02835	7.0
146.03647	43.6
147.04320	5.3
149.02289	2.7
149.04437	3.2
150.03061	3.5
161.02350	6.6
161.04404	7.6
161.05972	13.5
162.03130	77.0
164.04709	27.6
165.05540	2.2
177.05482	58.7
178.05786	2.2
179.03386	2.1
179.05502	11.1
179.07045	48.4
180.04277	2.0
191.05487	8.8
195.06531	6.8
250.71988	1.8
305.10669	12.6
306.10828	3.0
327.12497	3.3
357.11926	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	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35357	0.5
57.03325	1.2
58.00457	0.7
59.01244	14.7
59.02103	0.5
60.82845	0.6
61.98708	0.9
62.26561	0.6
71.01247	3.8
71.58537	0.7
71.58952	0.9
71.59307	0.6
72.99166	0.8
73.02818	2.4
75.94413	0.5
78.95780	0.7
80.96378	0.5
81.03302	0.5
83.01225	0.7
85.02818	2.9
87.00739	0.6
87.04391	8.1
89.02304	0.8
93.03320	1.8
95.39384	0.5
96.95890	1.9
97.02818	1.2
97.06438	0.7
100.66399	0.5
101.02327	3.5
106.04105	1.1
107.04900	0.7
109.06500	0.9
111.04339	0.6
113.02305	1.5
119.04897	1.2
121.02860	2.6
123.08040	0.5
125.02335	1.4
125.05946	0.6
133.02866	2.9
134.03625	64.0
135.03888	2.8
135.08052	0.7
137.02336	11.8
137.09621	4.6
139.03888	3.7
139.07555	1.4
149.02322	0.7
149.05988	21.0
149.09579	0.7
150.03102	1.5
150.06364	1.1
155.10678	25.0
156.10985	1.2
161.02342	1.0
161.04552	0.5
163.03911	1.1
163.11241	0.8
165.09128	0.7
167.10680	0.7
169.12218	1.2
171.10213	0.7
173.04480	0.8
175.03952	0.6
177.01968	0.5
178.02626	39.9
179.03166	2.7
179.10693	2.2
181.08615	2.7
181.12169	0.5
189.05508	1.2
191.05556	2.1
191.10703	2.1
193.04985	100.0
194.05359	5.3
195.10170	2.1
199.09694	29.1
199.11603	1.0
199.13307	0.7
200.10019	2.1
213.11215	1.1
222.62616	0.5
223.09702	1.8
224.04915	0.6
225.11258	0.9
234.05251	0.5
234.84470	0.6
237.11404	0.7
241.10780	9.8
242.11050	0.7
253.10806	2.9
255.12369	2.1
283.11841	17.3
284.12204	1.1
295.11798	0.7
299.08884	0.6
341.23288	1.0
343.13895	7.9
344.14310	1.1
375.27374	1.4
410.55252	0.6
477.19250	1.4
489.19110	1.7
536.32397	1.3
537.19745	11.2
537.32874	5.4
538.19995	1.8
538.27795	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	537.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	10.1
63.02248	4.5
65.00192	10.6
66.78439	1.2
68.99695	2.0
69.31712	5.3
69.32137	7.6
71.01249	3.8
73.02805	4.2
83.01250	5.0
93.03309	2.4
95.01264	7.8
98.19791	2.0
99.00804	1.6
101.02308	3.5
106.00479	3.0
107.01275	9.5
109.02837	12.8
109.99966	3.3
111.00769	9.2
116.48315	1.4
117.74666	1.4
120.99239	1.4
121.02806	1.4
123.00777	9.4
124.01526	4.5
124.98669	3.3
125.02313	6.0
133.02850	5.5
133.99937	1.4
135.00804	3.2
135.04417	2.7
136.98685	3.0
137.02364	2.5
139.00246	10.1
141.01880	2.3
143.04922	4.1
145.02829	2.9
147.04395	2.7
148.01518	3.7
148.98639	1.7
149.02295	5.4
149.99451	6.0
151.00288	26.2
152.01085	7.0
153.01804	6.0
154.99733	2.3
158.03650	1.7
159.04474	7.6
161.02309	4.2
163.00322	3.8
163.02269	1.3
163.03896	3.8
164.98177	2.6
165.01877	2.3
165.98962	2.4
166.99722	3.7
168.00571	4.7
169.01337	2.8
169.02841	1.9
171.04431	4.5
173.02391	3.7
174.03128	1.9
175.03903	10.3
177.01805	4.2
177.98955	6.3
178.99773	33.1
179.03381	1.5
186.03082	1.4
187.03937	11.0
189.01830	9.3
189.05443	3.4
190.02644	2.5
191.03423	4.0
192.00539	1.9
193.01315	4.1
194.99344	2.7
197.02434	2.4
199.03926	4.3
201.01848	4.5
202.02536	3.4
203.03436	15.5
204.04126	3.3
206.02187	1.5
206.99260	3.9
207.02888	2.1
208.00040	2.5
209.00835	4.8
213.01859	2.9
214.02658	2.7
215.03464	16.0
217.01321	3.3
217.04970	2.6
218.02095	1.7
219.02840	4.4
222.98808	2.6
227.03394	2.8
229.01381	3.7
230.02126	2.8
231.02946	13.6
232.03735	15.4
233.04500	9.0
241.01266	2.8
242.02126	2.1
243.02953	15.4
244.03448	1.5
245.00827	3.0
245.04457	2.3
247.02469	2.5
257.00757	2.6
258.01706	4.0
259.02444	12.3
260.03177	4.6
261.03928	4.2
269.00760	2.2
270.01709	3.0
271.02472	39.3
271.05429	2.3
272.02814	5.0
273.03934	1.6
286.01135	5.2
287.01968	42.2
288.02661	13.3
289.03500	6.9
297.00443	4.7
299.01935	33.7
300.02533	6.5
301.03473	2.9
303.01501	4.9
304.02237	2.1
314.00748	2.7
315.01459	100.0
316.01804	10.8
317.03067	1.5
332.01663	12.7
333.02457	9.0
397.07718	3.2
401.07031	4.9
413.07245	1.8
437.10831	14.1
438.11496	2.1
460.43927	1.7
465.10159	4.4
486.70807	1.4
493.09842	4.4
504.08954	4.6
509.09085	4.5
519.07819	5.6
537.08789	73.7
537.32294	1.8
538.09027	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	535.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05107	0.3
57.03330	0.6
59.01249	5.6
60.99175	1.6
69.03313	0.5
69.64250	1.6
71.01242	2.3
71.04877	0.4
72.99166	0.4
73.02822	1.5
81.03326	2.4
83.01266	0.6
83.04884	1.0
85.02819	1.6
87.00737	0.5
87.04398	0.4
88.14048	0.3
89.02312	1.3
93.03326	1.1
96.95882	1.4
97.02837	0.5
98.19793	0.6
99.04391	3.6
101.02325	1.5
102.05513	0.6
113.02332	1.3
119.03381	0.8
128.03426	1.0
134.03551	0.3
135.04402	2.8
135.98265	0.7
137.02310	0.3
142.13722	0.3
151.00252	0.5
151.03860	0.3
159.04665	0.4
160.01520	0.4
161.04515	0.6
173.04465	1.8
175.03920	0.8
179.03389	0.5
191.05473	2.0
222.03394	0.3
237.29408	0.3
255.03047	1.0
271.02472	1.9
277.77112	0.3
300.02737	3.1
301.03470	1.1
311.23993	0.3
331.21298	0.3
337.09253	0.9
347.42355	0.4
359.23608	0.5
361.25372	0.8
367.26303	0.7
373.14929	0.4
373.25351	0.6
377.24905	0.8
383.23819	0.4
391.26392	4.3
393.28220	0.4
394.28357	0.3
399.28860	0.9
403.26297	1.1
405.26468	33.0
406.18497	0.5
406.26810	4.8
407.25385	0.3
409.27371	0.7
423.29071	7.1
424.29404	1.4
435.28098	0.4
441.30212	2.7
443.31540	1.0
455.32138	0.6
457.29681	2.6
458.30319	0.4
473.14319	0.5
473.32660	0.7
487.30554	0.7
517.09998	0.5
535.11493	1.7
535.32745	100.0
536.33179	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	535.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.2
57.03310	3.4
58.00462	2.6
59.01251	76.6
60.01575	2.2
61.98719	1.8
67.97514	0.9
71.01252	22.0
71.21616	2.1
72.99184	2.7
73.02819	14.4
75.00758	2.4
78.95779	1.2
80.05751	1.0
81.03350	1.6
83.01242	4.6
83.04871	1.0
85.02814	11.4
87.00764	5.5
87.04420	1.2
89.02309	8.8
93.03331	5.8
95.01250	1.8
95.04897	3.3
96.95884	7.3
97.02833	1.1
97.06464	2.0
99.00745	2.6
99.04420	1.4
101.02326	13.0
107.93108	1.2
109.02811	1.5
111.04404	1.2
113.02333	8.8
113.05914	2.1
118.51894	1.0
119.03415	3.4
119.04916	62.3
120.05211	3.0
121.02793	1.1
121.71584	1.1
123.04429	1.4
124.01617	1.3
125.02317	1.8
125.09601	1.5
134.03659	1.2
135.04405	4.0
137.02365	8.2
143.03401	2.0
151.00261	1.1
151.03860	1.0
152.72943	1.1
155.10660	2.6
159.02927	1.0
161.04437	4.8
163.03914	60.1
164.04268	2.3
165.82924	1.0
169.12302	1.5
171.10202	3.1
173.04462	4.8
179.03429	3.2
185.11761	1.9
191.05522	7.1
207.05103	1.2
253.18188	1.3
269.17358	1.1
271.19183	1.8
331.24789	1.8
355.24890	6.3
359.25806	2.6
373.25912	18.4
374.26212	1.6
375.27380	2.2
385.85660	1.2
403.25134	1.4
413.25320	1.9
431.26581	13.8
432.27011	1.8
449.22156	1.4
449.27347	7.6
473.32947	4.0
475.29459	7.9
478.64700	1.5
493.30353	3.1
517.30859	2.4
535.31256	100.0
536.23492	1.8
536.31537	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	534.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26605	0.5
59.01245	1.2
71.57416	0.7
71.57866	0.7
77.47241	0.5
78.95771	26.1
83.15654	0.5
119.07863	0.6
122.00019	1.2
129.41356	0.5
140.01094	5.3
152.99461	3.1
159.76418	0.6
189.79588	0.5
193.63420	0.5
196.03722	14.3
214.04832	2.5
234.39523	0.5
234.45633	0.5
255.23256	100.0
256.23605	8.1
330.95187	0.7
452.27795	54.2
453.28119	7.1
534.26892	2.4
535.27228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.6
57.03323	2.9
58.00469	1.0
59.01251	100.0
60.01589	1.0
61.01668	0.3
63.85628	0.2
65.95270	0.3
67.01766	0.3
69.03339	0.8
71.01254	25.5
71.58164	0.3
72.01617	0.3
72.02020	0.3
72.99179	1.7
73.02820	10.9
75.00738	0.6
81.03336	0.6
83.01258	6.0
84.02075	0.3
85.02822	14.7
85.99994	0.8
86.02370	0.4
87.00761	2.2
87.04400	0.7
89.02312	4.2
93.03349	0.8
95.01266	2.3
95.92784	0.2
96.35939	0.2
96.95908	1.1
97.02831	1.3
99.00763	3.6
101.02324	19.0
102.02665	0.5
109.02867	0.5
111.00771	2.7
111.04475	0.3
112.01556	0.7
113.02335	11.6
114.05504	0.6
115.03876	0.4
119.03414	1.4
119.04888	0.7
120.05206	0.3
121.02826	0.4
123.04370	0.3
124.01573	0.7
125.02367	2.0
125.09648	0.8
125.80493	0.3
129.01826	0.5
134.03648	0.5
135.04422	1.1
137.02393	0.5
137.09610	0.3
139.11201	0.2
141.01823	0.7
143.03435	1.8
147.04477	0.3
152.01074	0.3
155.10725	0.8
159.02901	2.3
161.04460	5.7
162.73312	0.2
163.03934	1.3
167.03424	0.8
171.10176	2.0
173.04515	1.7
179.03441	0.4
179.05493	0.3
180.06566	0.7
191.05513	1.6
197.40260	0.3
205.03413	0.3
239.20200	0.9
240.65021	0.2
241.21799	0.3
269.18112	0.4
269.21182	4.1
270.21475	0.4
280.22900	0.4
281.21262	0.3
282.24496	0.3
289.49091	0.3
298.23929	1.3
312.25421	1.0
326.69962	0.2
330.26480	3.5
331.26877	0.4
355.24942	4.3
371.24060	0.4
372.25034	0.3
373.25952	7.0
385.26016	0.4
401.25461	5.0
402.26068	0.4
413.25198	0.6
431.26569	0.4
441.30423	0.7
442.27936	0.6
443.26547	0.4
453.29572	0.4
456.29636	1.7
473.32791	2.8
474.30713	54.2
475.30997	7.9
491.33575	0.7
492.31775	14.9
493.32266	1.6
516.29291	0.4
517.29956	0.5
534.30347	4.4
535.31305	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44633	0.7
53.22314	0.7
56.74273	0.8
57.03320	5.2
59.01246	3.1
64.66625	0.8
66.37589	0.8
67.01765	1.3
70.48159	2.4
71.01254	3.5
73.02809	1.2
82.89056	0.8
83.01229	0.9
85.02822	11.6
87.00749	17.0
89.02332	1.8
92.95861	1.6
93.03327	3.3
99.00761	1.5
101.02317	1.8
104.78458	0.7
109.02866	1.1
111.00742	0.8
111.04391	1.3
117.01780	1.7
122.07795	0.8
127.03857	1.6
129.01828	9.3
135.04391	1.6
147.02882	6.7
148.94824	1.9
173.04453	1.9
174.39810	0.8
177.98914	0.8
190.94208	2.2
190.95969	1.6
191.01967	9.1
191.05536	100.0
192.05879	3.1
330.74249	0.9
341.10971	1.5
345.82071	1.0
367.34857	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	534.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81570	0.5
57.03319	1.1
58.02843	5.1
59.01252	10.1
63.96816	0.5
66.03351	0.8
69.59743	3.0
69.60164	1.0
70.02848	0.7
71.01259	4.9
72.00792	1.1
73.02830	1.7
74.02345	10.8
79.37976	0.5
81.04449	0.8
82.02870	1.1
83.04941	0.6
84.04404	1.1
85.02825	3.5
85.03928	0.8
86.02339	5.4
86.05985	1.0
86.98999	1.1
87.00756	1.4
87.05512	2.6
89.02319	3.2
90.00063	1.3
93.03340	1.3
96.95875	2.5
97.03931	1.1
99.00764	1.2
99.05506	10.4
101.02320	2.9
101.07069	1.5
102.05508	2.2
107.06091	0.8
109.02897	0.6
109.03942	1.3
112.03936	1.0
113.02314	2.0
121.02821	0.6
125.03387	0.9
127.05039	1.9
128.03432	33.0
129.03748	0.7
135.04515	0.8
135.05473	2.8
135.96715	0.6
137.07063	0.9
141.06541	3.0
143.04523	39.3
144.04843	1.0
145.06073	1.9
146.04510	4.0
153.06599	3.2
160.00659	10.1
161.04521	1.4
162.05493	0.7
166.09755	1.3
167.04555	3.4
167.08162	2.0
170.03239	0.7
171.07652	0.8
173.04436	1.2
177.03288	4.7
179.04523	8.0
181.06172	0.9
185.05539	0.8
191.05444	3.7
192.07770	0.7
197.05630	1.1
207.05125	1.9
209.11810	2.8
210.08755	8.4
223.13359	0.8
227.12843	0.9
242.07794	0.8
254.07733	10.1
272.08865	18.6
273.09088	0.7
288.06558	8.6
297.87143	0.6
298.07941	0.8
306.07648	100.0
307.07916	6.3
373.12762	0.8
400.15839	1.1
503.16992	1.2
534.13507	0.8
534.20679	3.4
535.24023	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	533.0939
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.58602	0.7
57.03318	0.9
59.01251	20.7
64.57838	0.8
65.00197	1.0
67.01794	0.7
70.05543	3.0
71.01250	6.6
73.02819	3.3
76.54703	0.7
83.04919	0.9
85.02808	3.0
87.00768	0.8
89.02306	3.6
93.03338	1.6
96.95889	4.7
101.02322	5.0
107.01256	2.2
109.02824	1.4
111.31029	0.8
113.02344	2.5
119.03362	1.6
130.40643	0.7
132.02136	0.7
135.00737	1.3
135.04390	2.2
137.02290	1.3
148.05266	0.9
151.00296	3.3
161.02292	1.0
161.04422	1.0
163.00240	1.1
173.04449	3.2
176.01045	1.2
177.01871	1.4
178.99800	1.5
179.03423	3.0
187.04053	1.2
189.05357	0.8
190.26186	0.9
191.05573	5.7
199.03976	0.8
205.01299	0.8
205.04951	0.8
207.05020	1.5
211.03920	2.0
227.03435	21.9
228.03815	1.9
229.04982	2.8
239.03261	1.3
255.02959	54.4
256.03458	6.8
256.88150	0.9
257.04437	2.1
271.02399	1.1
283.02335	1.5
284.03256	100.0
285.03915	32.7
286.04459	2.2
301.03510	0.9
311.01959	1.6
327.08508	0.9
329.03049	0.9
358.90457	0.8
414.03128	1.0
447.09561	2.1
453.30261	0.9
471.30862	1.2
489.10352	57.2
490.10663	8.2
533.09247	4.7
533.23688	1.5
533.30676	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	531.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.2
57.03317	0.8
58.00488	0.2
59.01247	8.1
59.14496	0.1
69.03308	0.2
69.83091	0.3
69.83504	0.6
71.01251	5.2
72.99156	0.2
73.02822	0.8
78.95750	0.2
83.01244	0.5
83.04883	0.2
85.02809	1.3
87.00749	0.8
89.00524	0.2
89.02311	5.0
95.01255	0.4
95.04913	0.2
96.95862	0.2
97.06474	0.3
97.24403	0.2
99.04403	0.2
99.08001	0.2
101.02322	5.8
101.02995	0.3
113.02336	3.0
113.09611	1.6
119.03381	1.5
125.02349	0.3
129.01848	0.2
131.03432	0.3
143.03394	0.7
147.72823	0.2
161.04449	2.8
177.12737	0.3
179.05534	1.0
179.14391	0.7
180.14705	0.1
181.12233	0.4
195.13829	14.8
196.14143	1.2
233.22697	0.3
251.23691	0.2
253.09250	24.1
254.09576	1.3
259.20544	0.3
277.21707	13.3
278.22021	1.7
293.21353	0.2
295.22760	100.0
296.23111	10.3
303.50867	0.1
432.74500	0.1
442.23837	0.2
481.74011	0.2
509.83627	0.2
548.21973	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	531.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08962	3.3
57.03325	9.0
58.02849	5.7
59.01250	100.0
61.98684	4.0
69.03313	4.1
69.37187	27.6
71.01264	36.8
71.04893	5.4
73.02826	16.7
74.02331	8.3
78.95787	5.4
80.96404	4.7
83.04905	5.2
84.04311	3.4
85.02825	23.0
87.00737	8.9
89.02318	19.6
90.98475	9.9
93.03333	17.4
96.95883	25.0
97.02766	3.5
99.00755	3.9
99.04408	10.4
101.02340	20.5
107.04883	3.9
109.02831	3.7
111.04491	3.9
113.02311	18.3
118.97969	6.4
119.03413	7.3
119.04916	6.7
123.04391	4.4
125.02351	6.3
127.03847	3.3
128.03461	3.7
129.01823	3.9
134.03613	4.7
134.06021	4.1
135.04393	7.8
137.02342	18.7
143.03510	4.0
143.04546	9.8
146.54338	3.4
147.49825	3.5
161.02400	4.1
161.04526	5.0
163.03899	9.8
163.11159	3.8
173.04442	18.0
177.01974	4.9
179.03345	3.5
180.06590	24.2
181.06902	15.4
191.05533	51.9
207.05066	5.7
209.11723	30.8
222.07672	12.1
223.07933	11.0
227.12756	5.9
253.09296	7.6
257.08249	3.9
269.00861	4.7
272.08923	6.3
299.01697	5.1
303.21762	12.4
306.07681	8.9
313.14618	4.2
326.12955	4.0
348.05807	4.0
369.22748	9.8
401.05075	3.8
445.21198	4.6
451.21692	40.4
531.17548	29.2
531.27838	14.2
532.17651	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	531.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08962	3.3
57.03325	9.0
58.02849	5.7
59.01250	100.0
61.98684	4.0
69.03313	4.1
69.37187	27.6
71.01264	36.8
71.04893	5.4
73.02826	16.7
74.02331	8.3
78.95787	5.4
80.96404	4.7
83.04905	5.2
84.04311	3.4
85.02825	23.0
87.00737	8.9
89.02318	19.6
90.98475	9.9
93.03333	17.4
96.95883	25.0
97.02766	3.5
99.00755	3.9
99.04408	10.4
101.02340	20.5
107.04883	3.9
109.02831	3.7
111.04491	3.9
113.02311	18.3
118.97969	6.4
119.03413	7.3
119.04916	6.7
123.04391	4.4
125.02351	6.3
127.03847	3.3
128.03461	3.7
129.01823	3.9
134.03613	4.7
134.06021	4.1
135.04393	7.8
137.02342	18.7
143.03510	4.0
143.04546	9.8
146.54338	3.4
147.49825	3.5
161.02400	4.1
161.04526	5.0
163.03899	9.8
163.11159	3.8
173.04442	18.0
177.01974	4.9
179.03345	3.5
180.06590	24.2
181.06902	15.4
191.05533	51.9
207.05066	5.7
209.11723	30.8
222.07672	12.1
223.07933	11.0
227.12756	5.9
253.09296	7.6
257.08249	3.9
269.00861	4.7
272.08923	6.3
299.01697	5.1
303.21762	12.4
306.07681	8.9
313.14618	4.2
326.12955	4.0
348.05807	4.0
369.22748	9.8
401.05075	3.8
445.21198	4.6
451.21692	40.4
531.17548	29.2
531.27838	14.2
532.17651	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	531.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08525	0.7
57.03328	1.2
58.00473	1.0
59.01252	100.0
60.99172	1.5
61.98705	1.6
65.03805	1.0
67.01762	3.0
68.99699	0.9
69.03328	2.2
71.01254	24.5
71.04906	0.9
72.99184	4.1
73.02821	16.3
78.52605	0.8
81.03340	2.2
83.01261	5.8
83.04905	3.6
85.02820	16.0
85.03284	1.3
87.00748	8.0
89.02325	9.1
93.03339	22.1
95.01283	2.0
95.04865	1.0
96.95890	3.3
97.02837	1.5
97.06486	1.4
99.00802	1.4
99.04423	1.2
101.02317	15.3
102.58574	0.7
107.04885	0.8
108.02055	1.5
109.02827	4.3
111.00751	1.1
111.04398	4.5
111.08030	1.0
113.02322	9.1
113.20872	0.7
116.92728	0.8
119.01329	1.0
119.03397	2.7
119.04897	3.9
120.99529	0.7
121.02847	7.7
123.00816	1.0
123.04383	1.6
124.01497	0.8
125.02318	2.4
127.03926	7.0
129.01840	1.9
129.05577	0.8
131.03403	1.2
133.02858	2.9
134.03644	4.2
134.34552	0.7
135.04439	4.5
137.02350	8.7
139.03857	1.2
139.07607	1.9
143.03419	1.2
147.00784	2.0
148.01543	1.3
149.02341	8.2
149.04436	0.7
150.03096	0.8
151.00281	0.7
151.03912	1.4
152.00990	0.8
153.02031	0.8
155.03391	2.3
155.10629	1.3
161.02324	1.2
161.04478	2.2
163.03879	2.0
165.01826	5.6
166.02652	2.8
167.03427	0.9
171.02917	1.0
173.04483	22.7
174.04829	1.2
176.01076	0.7
177.01842	2.2
178.02678	1.5
178.99724	0.9
179.03384	1.9
179.05551	0.9
189.04015	0.9
191.05539	98.2
192.00534	0.9
192.05937	4.0
193.01393	1.9
193.05093	1.1
195.36571	0.7
207.04979	1.6
227.03287	1.1
231.10262	1.3
247.04657	0.9
255.03087	2.5
274.85779	0.7
275.09207	3.1
281.09329	0.9
284.03275	2.4
285.03882	1.5
291.53610	0.8
307.08026	0.9
309.20685	2.0
369.22928	1.3
403.26880	1.2
449.14465	2.6
471.25897	2.2
481.17142	3.8
487.25751	1.0
487.32465	1.7
488.18228	1.3
489.26950	2.8
490.27985	0.8
513.27148	3.9
531.15375	1.8
531.28094	68.3
532.28442	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	531.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.9
59.01227	14.5
60.10563	0.4
61.98713	0.5
63.02259	0.4
65.00205	0.4
67.01769	0.9
69.03326	0.5
69.41380	2.2
69.41808	1.4
71.01251	5.0
72.99189	0.8
73.02818	2.9
74.02319	0.4
78.95792	0.4
81.03339	0.4
82.95253	0.4
83.01297	1.0
83.04884	0.7
85.02810	3.3
87.00758	2.1
87.04362	0.4
88.98302	0.4
89.02330	1.7
93.03335	7.1
94.03681	0.4
96.95904	1.1
97.06496	0.7
98.19760	0.5
99.04408	0.6
101.02319	3.3
107.01266	0.9
107.71178	0.3
109.02828	1.3
111.04359	1.0
113.02327	2.1
118.90453	0.4
119.03399	0.8
121.02866	1.0
125.02354	0.8
126.89299	0.4
127.03885	0.6
132.02084	0.8
134.03609	1.2
135.00743	0.5
135.04388	1.1
137.02356	1.1
149.02429	0.5
151.00288	2.5
153.01810	0.7
155.03378	1.1
155.10690	0.8
155.43057	0.4
159.04428	0.5
161.02359	0.5
163.00325	0.4
165.01805	0.4
166.53441	0.4
171.04417	0.5
173.04469	9.7
178.99840	0.6
179.03435	1.1
183.04430	2.3
185.05966	0.5
187.03990	0.5
191.05537	11.0
192.05952	0.5
200.04485	0.6
211.03914	2.8
215.07155	0.4
227.03441	76.7
228.03777	5.7
229.05095	1.1
239.03493	0.8
255.02965	100.0
256.03500	13.3
257.04434	1.2
267.16031	0.6
269.04550	0.7
277.09692	0.4
283.02417	0.9
284.03256	68.2
285.03888	15.3
286.04321	0.7
309.20865	0.6
327.05032	1.3
369.22806	1.1
374.06281	0.7
419.60141	0.5
449.14536	2.0
487.25516	0.6
489.10522	1.2
489.26929	0.6
513.26740	1.0
531.11407	86.6
531.28137	10.5
532.11829	13.3
532.18311	0.3
532.28326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.0
59.01238	30.0
60.99173	0.4
61.98700	1.2
63.02269	0.5
65.00202	0.8
67.01756	1.2
69.03316	0.6
69.24291	3.6
71.00845	0.6
71.01245	5.4
72.99175	0.7
73.02827	2.3
79.95587	0.3
81.03321	0.5
83.01263	1.6
83.04881	0.4
85.02821	2.8
87.00753	2.0
89.02316	1.5
93.03332	6.7
95.01232	0.4
96.95885	1.2
97.06456	0.5
99.00762	0.4
99.04368	0.4
101.02312	2.7
107.01257	0.9
108.02071	0.6
109.02812	0.7
111.00780	0.4
111.04407	1.3
113.02318	1.8
115.08645	0.4
119.03407	0.5
119.04925	0.9
125.02328	1.3
131.03371	0.4
131.99944	0.4
132.02100	0.4
132.08150	0.3
134.03624	0.6
135.04419	1.2
137.02344	0.6
137.09648	0.4
143.03310	0.4
144.20190	0.3
151.00258	2.3
151.07521	0.6
152.00969	0.4
152.07947	0.4
153.01819	0.5
155.03346	0.5
155.10680	1.6
161.02295	0.5
161.04483	0.7
163.00351	0.6
164.00958	0.4
167.04878	0.4
169.94505	0.3
171.04420	0.5
173.04477	4.2
173.05815	0.7
177.01776	0.6
178.99770	1.3
179.03416	0.8
182.03737	0.4
183.04379	2.3
185.06013	0.4
187.03926	1.0
187.07547	0.5
191.05565	4.2
199.09703	0.5
207.05013	0.6
211.03973	3.0
212.04427	0.4
213.05490	0.5
215.07071	0.7
227.03450	76.2
228.03806	5.9
229.05002	1.4
231.10406	0.4
239.03474	0.7
243.02826	0.3
255.02969	100.0
256.03488	13.5
257.04370	1.2
269.04642	0.5
271.02551	0.4
275.36261	0.4
283.02484	1.1
284.03253	77.6
285.03931	21.2
286.04422	1.5
329.12418	0.5
339.05182	0.4
357.13504	0.4
369.22995	0.6
371.13303	0.4
374.06140	1.0
411.20203	0.9
429.21222	0.7
449.14450	3.3
450.14539	0.4
468.34268	0.4
471.09753	0.6
487.25742	2.4
489.10275	1.1
530.26636	0.5
531.11401	79.1
531.27960	5.6
532.11768	11.1
532.28967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37030	0.5
58.89335	0.6
59.01237	1.1
71.12836	0.8
78.95772	19.2
93.03368	0.5
116.37832	0.5
122.10684	0.4
130.70471	0.4
148.30705	0.4
152.99496	4.8
168.04205	2.9
191.05579	0.9
224.06880	8.5
242.07964	1.4
255.23265	100.0
256.23605	9.8
386.28299	0.5
480.30936	63.7
481.31213	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	531.1142
Annotation	Trilobatin D
Peak:m/z	Relative Intensity
59.01245	15.0
67.01753	1.1
69.29552	5.3
69.29975	3.5
71.01270	6.7
71.01587	1.4
73.02832	1.3
80.96387	1.5
81.03344	0.9
85.02827	10.7
85.35098	0.9
87.00749	3.7
89.02294	3.0
93.03348	8.3
94.06533	0.9
94.98011	1.0
96.95891	7.1
99.00749	1.1
100.35549	0.9
101.02299	3.8
109.02835	16.4
111.04404	1.6
113.02335	1.4
119.04917	1.9
121.02802	1.9
123.04420	1.9
127.03894	2.1
128.03424	1.1
129.01898	1.3
129.03270	1.1
133.02803	1.5
135.04433	1.0
137.02345	2.5
145.02824	5.8
147.04417	11.2
157.02837	5.4
158.03592	1.2
159.04413	13.4
163.03900	2.1
173.02307	2.2
173.04494	5.1
175.03899	3.9
185.02338	3.9
186.03246	1.2
187.03894	1.7
191.05533	66.8
192.05891	4.7
199.97160	0.9
201.01814	1.4
203.03383	1.6
211.07542	1.4
218.25685	0.9
221.06192	1.5
224.04706	1.4
228.99170	2.0
229.01372	35.3
230.01660	3.4
232.12962	1.0
238.06230	1.0
239.07014	3.8
249.05592	5.7
249.07794	1.0
250.06219	3.6
251.07011	2.3
253.05009	1.9
265.04953	1.5
266.05783	3.5
267.06604	17.9
268.06888	2.2
269.08237	4.9
271.01334	1.1
276.04184	1.4
277.05054	12.9
278.05533	3.2
280.07526	1.8
293.04620	5.9
294.05185	2.7
295.06094	20.9
295.09506	1.5
296.06427	2.5
313.07281	2.0
333.15527	1.2
339.05063	100.0
340.05432	11.4
357.05780	1.1
357.09741	10.0
358.10287	1.3
487.12451	1.6
531.11072	13.3
531.18036	1.5
532.11414	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	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.4
57.03310	0.4
58.00458	0.5
59.00946	0.5
59.01248	10.6
60.84806	0.3
67.01746	0.5
68.07423	0.3
69.03339	0.4
70.18712	0.3
70.87283	0.8
71.01252	7.4
71.04244	0.4
72.99174	0.3
73.02819	1.4
78.95774	1.5
83.01252	0.7
85.02831	1.9
87.00750	1.3
89.02316	6.5
93.03335	2.0
95.01267	0.6
96.95889	0.3
99.00802	0.5
101.02319	7.0
104.35218	0.4
111.04398	0.3
111.08061	0.5
113.02330	3.6
113.09620	0.4
119.03362	1.6
121.10055	0.4
125.02292	0.4
131.03439	0.4
132.02133	0.4
133.02852	0.4
135.04391	1.9
143.03329	0.4
148.99803	0.4
160.01530	0.4
161.04480	4.1
167.10707	0.4
169.12277	0.5
171.10207	1.8
173.04488	1.8
179.05510	1.1
179.14357	0.9
191.05515	7.0
195.13841	9.7
196.14438	0.8
205.12309	0.9
205.15826	0.6
209.11758	0.9
211.13289	0.5
223.13364	6.2
224.13876	0.5
228.13631	0.6
231.21158	0.5
231.93733	0.3
239.12810	0.4
253.09251	35.3
254.09680	1.8
256.13110	1.3
265.21768	0.6
266.42355	0.3
275.20142	6.2
276.20474	0.5
291.19556	1.3
292.19989	1.1
293.21207	100.0
294.21558	10.2
294.24124	0.2
321.29837	0.4
340.20889	0.3
351.07272	0.5
355.15729	0.5
408.49493	0.4
447.13373	3.7
492.22382	0.6
501.96548	0.4
529.21075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.5
57.03325	0.7
59.01247	17.1
70.87068	1.5
71.01247	9.3
71.04567	0.4
71.04893	2.8
72.10672	0.4
72.99194	1.1
73.02821	1.5
81.72828	0.4
83.01239	0.8
83.04881	0.9
85.02824	3.1
87.00750	1.7
89.01789	0.3
89.02316	8.7
89.02831	0.7
93.03322	0.7
95.01258	1.1
97.06408	0.5
99.00769	0.7
101.02325	10.8
109.06526	0.6
113.02334	5.3
119.03374	2.3
133.02872	0.8
134.03629	3.1
135.04422	1.9
135.11668	1.2
137.02219	0.7
143.03406	1.1
148.27844	0.5
157.08591	1.9
161.04474	4.0
171.10017	0.4
173.04469	1.5
177.12752	0.6
177.16431	1.2
178.02618	1.3
179.03374	0.8
179.05524	1.4
183.10205	0.4
191.05431	0.4
191.17998	1.2
209.11792	0.5
209.15439	0.8
217.15906	1.0
221.15485	0.7
231.21208	2.3
233.15678	0.6
235.08128	1.3
235.16995	52.9
236.17384	3.8
253.09261	41.1
254.09622	1.9
275.20145	68.7
276.20483	6.8
293.21219	100.0
294.21527	10.3
305.21130	1.6
355.15408	3.2
446.43903	0.4
459.90390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87364	0.2
55.01751	0.5
57.03315	0.5
58.00467	0.4
59.01249	8.7
69.03307	0.3
70.04822	0.2
70.63233	0.5
70.63560	0.2
71.01253	6.3
72.99161	0.4
73.02805	0.8
74.73296	0.2
80.10227	0.2
83.01244	0.8
85.02822	1.1
87.00729	0.6
89.02312	5.8
91.03886	0.3
95.01232	0.5
95.04890	0.4
97.02840	0.3
101.02313	6.1
101.38351	0.3
111.08062	0.7
113.02328	2.9
119.03375	1.8
125.02312	0.3
131.03358	0.3
143.03406	0.8
161.04463	3.1
167.10623	0.6
177.12727	0.4
179.05615	1.3
179.14262	0.8
181.12341	0.3
191.05553	0.3
192.87543	0.2
195.13823	9.0
196.14391	0.8
205.12245	0.6
205.15919	0.4
210.22662	0.2
223.13319	6.9
224.13719	0.3
225.15256	0.2
228.13504	0.7
231.21089	0.4
235.08290	0.3
249.22076	0.3
249.58263	0.2
253.09253	29.1
254.09622	1.7
256.13098	1.2
265.21674	0.5
275.20142	5.4
276.20453	0.6
293.21204	100.0
294.21542	10.3
353.69443	0.2
492.21902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06367	0.1
55.01756	0.2
57.03326	2.6
59.01249	5.4
69.03308	0.2
69.37374	1.4
71.01251	3.9
72.99166	0.3
73.02814	0.7
76.46353	0.2
83.01257	0.5
83.04886	0.5
85.02814	0.9
85.06423	0.2
87.00739	0.5
89.02313	3.3
89.02831	0.3
93.03339	0.2
95.01249	0.3
97.06470	0.6
99.00784	0.3
101.02322	4.5
109.06448	0.5
111.04371	0.4
113.02324	1.6
113.09605	12.1
114.09917	0.4
115.07545	0.2
119.03389	1.1
125.09574	0.2
129.05446	0.3
135.11694	0.4
139.11185	1.2
143.03429	0.4
149.09679	0.4
155.10776	0.2
157.08603	0.2
161.04471	1.6
165.12631	0.2
167.10652	1.6
171.10138	0.9
173.04460	0.6
177.01808	0.2
177.12737	0.6
178.23004	0.2
178.99916	0.2
179.05508	0.4
179.10701	1.5
195.13828	2.6
211.13200	0.2
221.18900	0.2
235.08173	0.4
249.22163	2.0
250.22527	0.2
253.09258	17.0
254.09618	0.8
275.20172	1.4
276.20459	0.2
288.40607	0.2
293.21213	100.0
294.21552	9.9
384.68311	0.2
388.42584	0.2
401.34769	0.2
529.30225	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	529.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.1
58.00481	0.9
59.01246	15.1
60.99177	2.3
61.98705	1.1
64.15306	1.0
67.01443	1.0
67.01762	7.1
69.03313	2.4
71.01260	9.4
71.57532	1.5
73.02814	1.2
81.03322	2.4
83.03156	0.9
83.04884	2.8
85.02804	2.8
87.00756	10.3
89.02305	4.0
93.03336	53.5
99.00735	1.8
99.04373	1.3
101.02331	6.6
106.04153	1.0
107.04868	1.7
109.06490	1.7
111.04395	9.9
113.02313	3.9
119.03404	1.4
121.02818	1.5
129.01787	1.7
129.84735	1.0
133.02885	8.3
134.03635	46.5
135.04428	35.1
137.02301	3.6
139.03882	2.1
143.03377	1.8
152.99503	1.2
154.83786	1.3
155.03421	5.3
155.10648	2.0
159.11601	1.2
161.04445	2.1
162.03154	1.8
163.03908	3.3
171.10162	3.0
173.04475	44.5
174.04782	2.1
177.01837	5.3
177.12769	12.9
178.02669	14.8
179.03404	8.2
183.10204	15.0
183.13814	4.2
191.05493	6.5
195.13879	7.4
197.11749	1.0
209.11754	1.1
210.12030	1.1
211.13391	1.2
223.13269	2.1
225.11252	1.4
235.17012	1.0
253.09273	26.2
275.20142	8.5
293.21216	100.0
294.21552	5.9
308.09290	1.4
352.07855	2.0
355.15491	58.3
356.15909	5.5
411.34912	1.1
529.20593	15.6
530.20825	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	529.1562
Annotation	Pikuroside
Peak:m/z	Relative Intensity
54.58117	1.3
59.01221	2.0
60.99166	2.7
67.01760	9.4
69.03319	2.3
69.38286	12.3
71.01255	2.8
81.03323	2.5
85.02818	5.4
87.00750	15.2
93.03332	58.3
94.03659	2.2
96.95890	3.5
109.02878	1.4
111.04417	7.3
113.77760	1.4
134.03644	14.8
135.04158	1.2
137.02289	1.5
143.98318	1.2
149.06003	3.0
155.03429	2.6
164.19327	1.2
173.04463	19.6
178.02618	9.2
191.05537	100.0
192.05904	2.3
193.04996	19.4
205.06157	1.9
367.10315	21.8
368.10727	2.5
409.11346	4.8
529.15601	71.8
530.15997	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	527.2993
Annotation	Milbemectin
Peak:m/z	Relative Intensity
70.04977	24.5
78.95784	38.7
89.93812	4.9
108.36855	5.5
111.87526	5.0
114.42806	5.3
122.97543	4.5
127.67336	5.0
133.37222	5.0
152.99480	69.9
156.60788	5.1
157.83487	5.4
197.02118	28.3
197.39818	5.1
249.72777	5.0
255.23251	100.0
256.23642	7.3
269.74097	5.4
307.05359	5.6
392.92633	5.7
413.09137	5.1
423.14291	5.0
527.29858	75.3
528.29956	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44795	0.3
57.03310	1.3
59.01245	6.7
67.01762	0.5
69.03319	0.8
71.01248	4.9
73.02812	1.1
80.96350	0.5
83.01276	0.6
83.04884	0.6
85.02806	1.5
87.00750	1.5
89.02316	3.8
90.80508	0.4
93.03314	2.4
93.06944	0.6
95.01259	0.5
95.04862	0.5
96.95885	0.4
97.06463	1.2
97.25291	0.3
99.00793	0.5
101.02322	4.2
108.01879	0.3
111.04396	0.5
111.08040	1.9
113.02308	2.1
119.03373	1.1
121.10104	5.7
122.10427	0.4
123.08018	0.6
125.09589	4.7
141.12747	0.5
143.03371	0.6
147.08093	0.8
161.04469	1.9
163.11115	0.4
165.12802	0.4
171.10170	0.9
173.04422	3.0
177.12743	0.9
179.05467	0.6
185.11755	6.8
191.05569	2.8
195.13792	1.4
197.11800	2.6
201.11288	0.6
207.10158	0.4
209.11818	2.7
211.07477	0.6
211.13322	1.7
212.08382	0.4
213.09204	0.7
223.13394	0.9
225.11314	0.7
227.12842	0.6
235.08032	0.7
247.13440	0.6
247.20645	1.0
247.67171	0.4
253.09235	16.3
254.09642	0.7
263.20132	0.6
273.18527	1.9
287.66873	0.4
291.19647	100.0
292.16846	0.7
292.20004	10.5
330.00562	0.4
430.12430	0.8
493.94495	0.4
527.18274	1.0
527.28668	3.5
528.29156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.0
59.01248	6.5
60.63757	0.2
69.03313	0.3
71.01252	4.3
71.04904	0.3
71.06009	0.5
71.89742	0.2
72.99180	0.4
73.02824	1.0
75.23653	0.2
78.95787	0.3
80.96364	0.2
81.03323	0.4
83.01252	0.6
83.04882	0.7
85.02821	1.1
87.00751	0.4
89.02321	3.1
91.03871	0.2
93.03345	0.6
95.01268	0.3
95.04890	1.0
97.06444	0.4
101.02319	4.0
107.08540	0.2
109.06480	0.8
111.08035	7.7
113.02319	2.1
113.09580	0.4
119.03391	1.0
123.08015	0.2
125.09589	0.3
133.10077	0.2
135.11665	0.2
137.09607	0.8
139.11205	0.4
141.09129	0.3
149.09605	0.3
161.04482	1.8
161.09685	0.2
162.07880	0.2
162.83733	0.2
163.11102	0.3
165.06897	0.2
165.12773	0.2
167.10670	1.9
169.12231	0.2
171.10138	1.5
173.04459	0.3
177.12775	1.7
178.13103	0.2
179.05562	0.5
179.10686	1.7
192.58005	0.2
195.13837	5.4
196.14101	0.3
199.09674	0.3
199.13326	0.3
201.11185	0.5
203.14398	0.4
207.10329	0.3
209.11745	1.5
219.17537	0.3
221.35658	0.2
225.11255	0.7
227.35994	0.2
235.08183	0.6
247.20670	1.8
251.12857	0.4
253.09247	16.7
254.09529	0.7
254.21242	0.2
273.18661	1.5
291.19644	100.0
292.19977	10.4
370.20325	0.2
527.28467	2.8
528.28937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.0
59.01248	6.5
60.63757	0.2
69.03313	0.3
71.01252	4.3
71.04904	0.3
71.06009	0.5
71.89742	0.2
72.99180	0.4
73.02824	1.0
75.23653	0.2
78.95787	0.3
80.96364	0.2
81.03323	0.4
83.01252	0.6
83.04882	0.7
85.02821	1.1
87.00751	0.4
89.02321	3.1
91.03871	0.2
93.03345	0.6
95.01268	0.3
95.04890	1.0
97.06444	0.4
101.02319	4.0
107.08540	0.2
109.06480	0.8
111.08035	7.7
113.02319	2.1
113.09580	0.4
119.03391	1.0
123.08015	0.2
125.09589	0.3
133.10077	0.2
135.11665	0.2
137.09607	0.8
139.11205	0.4
141.09129	0.3
149.09605	0.3
161.04482	1.8
161.09685	0.2
162.07880	0.2
162.83733	0.2
163.11102	0.3
165.06897	0.2
165.12773	0.2
167.10670	1.9
169.12231	0.2
171.10138	1.5
173.04459	0.3
177.12775	1.7
178.13103	0.2
179.05562	0.5
179.10686	1.7
192.58005	0.2
195.13837	5.4
196.14101	0.3
199.09674	0.3
199.13326	0.3
201.11185	0.5
203.14398	0.4
207.10329	0.3
209.11745	1.5
219.17537	0.3
221.35658	0.2
225.11255	0.7
227.35994	0.2
235.08183	0.6
247.20670	1.8
251.12857	0.4
253.09247	16.7
254.09529	0.7
254.21242	0.2
273.18661	1.5
291.19644	100.0
292.19977	10.4
370.20325	0.2
527.28467	2.8
528.28937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.5
59.02063	0.6
71.01227	0.8
78.95776	8.6
100.64698	0.7
110.98440	5.6
167.01076	4.3
185.02148	4.9
229.46254	1.0
265.33743	0.7
267.10498	0.7
270.98849	0.7
277.21719	100.0
278.22046	12.2
373.24042	0.8
445.23627	27.2
446.23950	4.7
527.22778	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	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86612	1.0
52.99370	1.0
54.53602	0.8
57.03320	3.6
59.01248	16.1
67.01741	1.0
69.03313	1.2
70.04613	0.8
71.01247	25.1
72.99164	6.2
73.02821	2.1
75.00310	1.3
75.00743	23.8
75.01178	1.1
76.59940	0.9
78.11417	0.8
78.95773	7.0
80.05145	0.8
83.01305	1.0
85.02817	26.7
87.00746	7.6
89.02309	7.0
91.33151	0.9
93.97236	1.0
95.01257	6.5
96.96849	1.1
99.00749	12.7
103.00261	2.5
103.79430	1.0
111.00800	1.7
113.02324	42.7
114.02633	1.0
115.00244	3.4
117.01837	2.4
129.01834	2.3
131.03435	1.1
148.89139	1.0
152.98297	1.6
152.99483	20.1
157.01387	1.7
175.02377	6.5
205.07094	3.7
231.05144	1.7
249.06154	10.5
250.04706	1.5
267.07193	10.0
277.21704	80.0
278.22031	6.1
477.60959	0.9
505.58554	0.9
509.27371	1.6
527.28601	100.0
528.28638	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	527.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.2
61.98708	0.6
63.96117	0.8
69.03321	0.5
71.01251	5.5
71.57430	0.7
71.57823	0.5
72.99208	0.4
73.02805	3.1
74.80134	0.3
78.98457	4.8
79.95602	7.7
80.02512	0.5
80.96387	51.8
81.03327	0.9
83.01260	0.7
84.95710	0.3
85.02810	2.7
87.00742	2.1
89.02299	0.4
93.03309	0.4
94.97953	13.3
95.01260	0.5
96.95881	2.6
97.02820	1.4
97.06466	1.0
99.00763	0.8
101.02319	3.6
106.97961	2.4
107.29440	0.3
109.02823	0.6
113.02304	0.6
122.06012	0.6
122.97461	4.4
123.03137	0.5
123.04386	2.0
125.02336	3.7
127.03938	0.4
134.06024	2.0
134.97449	4.4
135.06352	0.9
136.99042	1.1
137.02350	0.6
138.05505	0.6
141.05460	1.1
148.99046	5.1
151.00255	0.6
152.07069	1.1
152.98537	5.8
164.98538	9.5
165.05534	0.6
167.00096	0.6
182.99608	2.2
191.05627	1.2
205.18536	0.4
206.99628	3.4
209.11743	3.0
225.00679	18.5
226.01111	0.7
236.08987	0.4
243.01788	1.5
252.03854	0.4
265.05136	0.6
299.04413	2.7
299.13910	0.7
300.14331	0.5
483.19263	1.3
492.72766	0.4
519.44824	0.4
527.17987	100.0
528.18317	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	526.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27748	0.7
54.18034	0.8
59.01245	6.0
59.71458	0.7
63.96104	1.0
71.01254	5.3
71.34177	1.5
73.02824	2.1
74.75159	0.7
78.95811	0.7
78.98467	2.1
79.95603	5.4
80.96395	26.6
85.02832	2.6
87.00739	1.8
94.06509	1.9
94.97958	6.8
96.95885	4.8
97.02805	0.9
99.04440	0.7
101.02340	2.7
106.06512	3.5
106.97976	2.1
107.03673	4.5
110.02364	1.2
112.03913	7.3
113.02363	1.6
116.04911	1.2
117.05256	1.0
122.06012	25.9
122.97485	2.3
123.03146	10.6
123.04504	0.9
123.06381	1.2
124.03944	10.8
125.02341	0.9
132.04472	8.5
134.06015	100.0
134.97484	1.8
135.06357	3.9
138.05510	38.8
139.02644	1.2
139.05879	1.1
140.07069	3.6
146.06024	2.0
148.99066	2.9
152.07082	63.1
152.98512	4.0
153.07414	2.5
160.03932	1.3
163.03978	0.9
164.98502	4.3
166.05042	2.8
173.04503	1.5
182.04506	3.5
183.05371	1.5
184.06068	7.7
191.05508	1.9
200.10565	0.8
206.08162	1.0
206.99667	1.8
209.11688	2.0
212.10809	1.9
215.04300	1.6
223.08659	1.0
225.00700	9.6
228.10199	1.0
231.82883	0.8
233.25018	0.8
239.11804	1.7
243.01740	0.9
245.09297	1.8
255.11259	5.9
267.11328	3.1
271.14536	1.3
274.16644	0.8
279.11102	1.0
297.12485	13.9
298.13080	1.0
299.13992	50.1
300.14407	5.1
325.11938	1.7
329.29816	0.9
371.11154	1.0
392.16028	1.0
393.17694	1.1
410.17044	6.0
420.19232	3.7
421.18912	0.9
422.17126	1.4
438.20389	8.2
439.20743	1.1
464.18256	19.9
465.18399	3.2
482.19318	62.2
483.19662	9.1
526.14954	1.4
527.18005	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09215	20.1
57.33614	17.8
59.01228	25.4
69.74346	100.0
81.70621	20.4
112.62147	20.4
138.79614	18.3
253.21724	40.0
514.52911	21.2
530.17883	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	525.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.9
57.03321	2.5
57.42857	0.9
58.00460	3.2
59.01252	95.5
60.01603	1.0
61.78108	0.9
61.98698	2.6
62.18591	0.9
67.01760	1.1
71.01252	64.4
71.57822	1.0
71.58280	1.1
72.99175	6.7
73.02822	10.8
75.00735	1.2
75.05404	0.9
78.95783	6.0
79.95612	1.2
81.03370	0.9
83.01260	4.6
83.04895	1.0
83.98199	1.1
85.02825	12.1
87.00753	6.6
87.04381	1.6
89.02317	100.0
90.02638	1.2
93.03345	6.1
95.04910	0.9
95.58348	1.2
96.95898	5.4
97.02824	1.0
97.06468	1.2
99.00783	1.6
99.04409	1.5
101.02323	55.5
103.03899	2.9
109.02840	1.6
111.04382	2.3
111.36930	1.1
113.02340	14.1
119.03410	6.0
119.04921	4.1
122.03661	1.0
123.04439	1.9
125.02297	1.5
129.01846	1.2
131.03395	38.4
133.02875	1.3
134.03671	1.9
135.04407	6.1
137.02347	3.4
137.05966	1.7
143.03421	2.1
149.04460	94.7
150.04724	2.1
153.01901	1.1
155.10661	2.2
161.04486	3.2
163.03989	2.1
166.02660	9.6
173.04497	6.5
173.05766	1.1
179.03433	3.5
181.04991	15.2
191.05540	34.0
192.05771	2.1
197.11684	1.6
199.09663	2.6
241.10905	1.5
252.07701	0.9
253.17337	0.9
259.91241	1.1
284.11224	1.0
293.08759	1.6
311.09915	1.9
351.12625	1.4
428.13455	1.0
465.20367	1.1
493.18069	1.2
524.34088	0.9
525.16583	1.6
526.18396	1.5
526.27692	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	525.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01365	1.0
55.01736	0.8
57.03325	2.3
59.01252	51.6
61.98704	2.3
65.70022	0.9
67.01752	1.8
69.03349	0.9
69.54000	1.4
69.54405	5.2
71.01254	5.9
72.99194	1.5
73.02807	7.1
78.95791	1.1
81.03339	3.4
83.01264	7.4
83.04878	5.0
85.02840	3.5
87.00750	1.2
87.04400	2.0
89.02326	2.0
93.03324	7.6
96.95889	3.0
101.02327	4.8
106.04119	2.9
107.04915	2.8
108.02061	3.9
109.02856	2.5
111.04420	1.1
113.02325	2.5
117.03294	1.0
119.04912	57.8
120.05268	2.7
122.03674	0.9
127.07534	0.8
129.01785	0.8
135.04382	5.9
137.02394	2.4
137.05983	100.0
138.06361	5.1
139.11208	10.5
141.90623	0.9
145.02878	2.6
150.06807	1.1
152.01062	1.8
153.01929	1.4
155.10634	4.5
160.32303	0.9
163.03917	54.5
164.04269	2.6
169.12288	1.2
173.04488	5.1
174.02910	0.9
179.03421	2.5
179.10623	2.2
181.05003	1.0
181.12276	4.7
183.10188	13.9
191.05547	8.9
192.06024	1.1
197.11858	1.8
199.09718	3.9
199.13364	1.3
209.11867	1.5
218.50591	0.9
225.11278	11.4
243.12288	6.4
249.11359	1.7
267.12369	2.0
291.12518	2.5
325.09314	2.4
327.14377	2.1
363.14609	2.7
387.16739	3.1
476.64032	1.0
504.22745	1.0
507.22070	4.6
524.35864	3.5
524.86023	10.0
525.23590	74.0
525.36157	2.1
526.23950	12.3
526.30634	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	525.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56014	0.8
57.03322	1.9
58.00463	1.3
59.01250	32.8
61.98698	1.5
64.60604	0.7
69.03315	1.1
71.01263	5.1
71.04878	1.1
71.57996	1.0
72.99194	1.3
73.02828	3.8
77.27058	0.8
81.03333	1.9
83.01256	1.2
83.04954	1.5
85.02815	4.5
87.00758	1.1
87.04392	10.8
89.02306	1.5
93.03338	3.8
93.06960	1.0
95.04911	2.6
96.95879	1.4
97.02827	2.9
97.06445	1.6
99.04449	0.8
101.02305	4.6
107.04938	1.1
109.02840	11.9
109.06483	7.6
111.04382	1.9
111.08012	1.1
113.02341	2.3
119.04926	8.6
121.02852	11.5
122.03633	3.4
123.08077	1.0
125.02317	2.7
127.07623	1.1
133.02841	1.0
135.04430	9.8
135.08035	2.9
137.02324	2.3
137.05983	49.4
137.09608	9.7
138.06351	1.9
139.07526	1.9
149.02403	1.0
149.06081	1.0
149.09616	0.8
151.11140	1.4
152.99478	1.3
155.10683	49.8
156.11021	2.7
163.07532	1.9
163.11234	1.2
167.10753	1.3
169.12225	2.7
173.04475	4.4
177.09074	1.1
177.54524	0.8
179.03398	1.1
179.10689	4.5
180.06445	0.8
181.04988	100.0
181.08344	4.2
182.05302	4.9
191.05492	6.2
191.10722	3.2
193.12334	1.0
195.10237	3.0
199.09685	39.3
199.13370	1.2
200.09979	1.7
209.11670	1.1
213.11278	1.6
223.06044	0.9
223.09718	2.2
225.11253	1.4
237.11395	1.1
241.10797	11.4
253.10826	3.1
255.12323	3.4
283.11868	21.0
284.12344	1.5
325.09348	1.3
343.10175	1.3
343.13971	13.4
344.14276	1.5
351.21692	1.1
399.73575	0.7
400.14035	0.8
524.35583	0.9
525.19733	73.8
526.19916	9.0
526.27094	0.9
542.35339	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	525.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45107	0.3
57.03327	0.4
59.00986	0.4
59.01250	4.6
60.48530	0.3
61.98693	0.2
63.70447	0.2
65.03815	0.3
71.01248	1.4
72.99183	0.3
73.02798	1.1
75.00708	0.3
78.95773	0.3
83.01237	1.3
85.02818	0.9
87.00737	0.5
87.04375	0.5
93.03334	50.9
94.03672	1.8
96.95865	0.6
101.02331	0.8
108.04434	0.6
113.02254	0.2
116.95905	0.3
119.04939	0.5
125.02319	0.6
135.04390	0.6
136.03931	0.3
136.05225	0.5
137.02341	100.0
138.02684	3.4
139.07576	0.3
139.11168	0.8
150.06770	0.3
151.07520	0.3
152.99489	0.8
155.03432	0.4
155.10663	0.6
158.76717	0.3
169.12350	0.3
173.04478	0.9
179.03645	0.3
181.05045	0.3
183.10184	2.1
191.05563	1.5
199.09656	0.4
207.07242	0.3
209.11794	0.8
225.11287	2.3
241.01260	0.4
243.12274	2.1
249.11136	0.3
266.07306	0.3
267.12381	0.6
285.13266	0.7
308.58902	0.3
309.13544	0.3
315.05136	0.3
327.14594	0.9
385.39679	0.3
387.16660	2.8
388.16907	0.4
525.23395	1.0
525.34857	0.4
526.18884	0.4
526.26825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
58.00473	0.5
59.01255	10.1
61.98675	0.6
65.03816	0.6
69.03313	0.7
71.01257	3.8
71.35234	1.0
72.99174	0.6
73.02823	4.1
75.00755	0.7
78.95777	0.7
83.01260	6.5
85.02826	1.6
87.00755	0.8
87.04396	1.2
89.02307	0.9
93.03336	89.1
94.03662	3.2
95.01286	0.5
96.95898	2.8
99.00835	0.7
101.02342	3.4
103.03889	1.4
108.02061	1.0
109.02834	1.2
109.06445	0.9
113.02345	0.9
121.02896	0.5
123.04438	0.7
125.02322	1.7
134.06001	0.5
135.04391	1.6
137.02344	100.0
138.02675	3.3
139.07547	0.7
139.11186	4.7
149.99451	0.6
151.11189	0.8
152.01038	0.9
153.01819	0.6
163.11092	0.5
165.05551	0.5
165.09222	0.7
168.00574	1.2
169.12230	2.5
171.59109	0.4
173.04507	0.6
179.03476	1.1
179.10687	1.5
181.12239	3.1
183.10188	10.9
191.05579	1.9
197.11823	3.7
199.13445	0.7
225.11276	12.7
226.11661	0.7
239.12932	0.8
243.12354	11.1
244.12732	1.2
249.11252	2.1
255.07561	0.5
267.12329	2.3
269.75803	0.5
283.07227	2.9
285.13522	1.7
289.11267	0.7
291.12424	2.0
309.13623	1.0
327.14420	4.3
383.20819	0.5
387.16608	11.8
387.21347	0.7
388.16849	1.1
430.58929	0.5
450.16690	4.0
467.64642	0.5
525.19855	21.6
526.19415	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	525.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.1
58.00462	1.5
59.01247	12.0
60.77802	0.7
61.98677	1.2
65.83225	0.7
69.03324	0.9
69.63140	4.8
71.01254	7.0
71.04890	0.8
72.99181	9.9
73.02840	3.4
75.00732	1.1
78.95783	1.3
81.03325	1.2
83.01281	0.7
83.04912	1.1
85.02819	4.2
87.00751	1.7
87.04391	7.4
89.02310	3.2
93.03336	14.9
95.01260	0.9
95.21265	0.7
96.00773	0.8
96.95887	2.9
97.02836	1.7
98.02353	2.0
101.02327	4.9
107.04903	1.9
109.02900	1.4
111.04450	1.0
113.02322	2.0
113.03419	0.9
119.03496	1.0
119.04916	26.7
120.05289	1.8
121.06528	0.8
123.04380	1.8
125.05928	1.1
126.62009	0.6
127.07495	0.9
133.02852	0.8
134.03621	3.0
135.04416	26.0
135.08025	1.3
136.04771	0.9
137.02327	3.8
137.06009	1.4
137.09590	4.6
139.07573	0.7
152.99529	0.6
153.05418	0.7
155.10684	24.6
156.11069	0.8
161.04459	1.1
163.03918	38.1
163.11298	1.0
164.04295	1.9
164.07082	1.0
167.03464	0.8
169.12253	1.2
171.10165	0.8
173.04494	3.9
177.09120	0.6
179.03452	1.8
179.10695	3.8
180.06548	1.1
181.04990	62.1
181.08568	2.9
182.05342	2.8
191.05585	5.0
191.10730	1.9
195.10178	1.8
197.11748	0.9
199.09680	11.9
199.13345	1.2
209.11813	0.8
213.11296	1.0
222.24338	0.6
241.10776	3.3
243.65837	0.7
253.10826	1.7
255.12437	1.4
271.45816	0.7
283.11862	6.6
343.13974	1.5
362.29987	1.3
363.30173	0.7
490.19574	1.6
524.35229	7.1
525.19757	100.0
525.35699	2.7
526.20117	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	525.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36388	0.4
57.03297	0.6
58.12905	0.3
59.01251	7.4
60.01595	0.5
61.98693	0.7
63.96100	1.0
64.27254	0.3
69.03332	0.6
71.01251	8.9
71.04289	0.4
71.58212	0.7
72.01583	0.4
72.99183	0.6
73.02829	2.5
75.00752	0.4
78.98460	5.0
79.95604	8.2
80.96389	52.6
81.03319	0.9
83.01245	0.8
85.02826	3.2
87.00748	3.0
89.02302	1.1
93.03342	1.3
94.97958	13.0
95.01260	0.6
96.95887	10.0
97.02814	1.9
99.00753	0.8
101.02316	3.9
106.97959	2.3
108.01998	0.4
109.02824	1.3
112.03941	0.4
113.02326	1.1
119.04962	0.4
120.99519	0.6
122.97469	5.4
124.03952	0.5
125.02303	3.6
127.03899	1.0
131.03275	0.4
134.06001	1.8
134.97484	3.8
135.04465	0.5
135.06326	0.8
136.99025	1.1
137.02339	1.1
137.09578	0.9
138.05501	1.1
139.11179	0.8
139.99376	0.4
140.11597	0.3
143.03355	0.4
146.06006	0.4
148.99049	5.3
149.99461	0.3
152.01073	0.4
152.97394	0.7
152.98537	6.9
155.10681	5.7
156.11006	0.6
159.04424	6.6
161.02383	0.4
163.03889	0.5
164.98535	10.9
165.97253	0.9
165.98833	0.4
166.98000	0.3
167.00093	0.4
173.04498	0.4
180.06528	0.6
181.12209	1.0
182.99619	2.7
183.10123	0.8
188.98489	0.4
191.05486	1.5
199.09776	2.2
200.10057	1.0
201.10373	0.5
206.99635	3.4
207.10152	2.1
209.11681	0.6
225.00687	19.8
225.11264	3.7
226.01030	0.5
243.01711	1.3
254.55212	0.6
274.02899	0.5
281.13113	0.5
282.13318	0.9
299.04370	2.6
300.04489	0.4
342.14941	0.6
362.15552	0.5
363.16238	0.5
376.40732	0.3
389.26773	0.4
437.09204	2.4
453.18033	0.4
461.20108	0.5
507.19513	0.6
524.24048	1.5
525.16345	100.0
525.23175	3.5
526.16693	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	525.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	12.4
61.98423	1.8
61.98702	24.3
69.03322	3.3
69.46345	8.2
69.46758	3.1
70.49861	1.4
71.01221	5.7
73.02806	3.0
74.02304	1.6
80.96377	2.2
82.02814	1.4
84.93757	1.4
85.02811	2.9
87.00738	1.5
87.04388	12.9
88.04736	1.4
96.95852	2.9
99.00714	1.3
101.02309	2.2
104.04902	4.8
106.06506	10.6
107.04882	2.5
108.02009	6.1
108.04397	4.0
109.02796	5.9
113.02303	4.0
119.04889	2.8
120.04421	3.1
122.06006	2.3
125.02355	1.7
125.05929	1.4
131.03410	8.4
132.04405	6.1
134.06018	28.1
135.04398	11.3
135.06387	1.7
137.02315	1.7
137.09579	1.5
138.05484	1.6
141.05426	1.6
143.20370	1.3
148.02888	2.4
148.03946	25.7
149.04338	2.8
150.03116	1.3
151.03874	1.6
152.00996	3.8
153.01784	4.3
158.96449	1.3
160.03940	21.1
161.04489	2.8
162.05513	60.8
163.02582	2.4
163.03839	2.6
163.05840	3.2
166.05002	16.8
173.04607	2.9
174.05473	4.0
176.03366	5.1
179.03429	7.6
180.06561	3.9
186.05576	8.3
187.06012	1.6
188.03456	21.9
190.04996	2.8
191.05431	3.9
193.03622	4.2
194.04417	3.2
198.05515	3.2
200.07053	2.8
202.08601	2.9
204.06583	2.4
206.04440	5.6
209.06413	1.4
210.03923	2.4
212.07080	12.1
213.07828	4.4
216.06735	1.9
226.05132	7.1
226.08640	2.5
228.06670	2.1
228.10152	2.0
230.08151	4.1
230.11839	2.7
232.06065	2.6
238.08574	2.8
240.06519	2.1
240.10222	2.4
242.11836	18.2
243.12138	2.4
250.07079	5.3
251.08205	1.4
252.10246	1.4
254.08028	3.3
256.09711	13.2
258.07666	2.2
258.11298	2.7
260.09189	2.0
270.11243	4.2
274.10880	8.2
276.12323	3.8
277.09756	2.6
286.07678	1.6
286.10831	10.0
288.12555	1.9
290.06714	2.5
296.09259	3.3
300.08694	5.0
302.10239	2.9
305.09235	2.7
313.86411	1.3
318.09784	10.0
321.08752	4.3
321.12311	1.7
330.09680	6.1
331.10648	2.5
339.09827	10.2
347.10229	2.7
349.08286	3.3
349.12061	1.7
362.08960	10.1
362.15790	5.8
363.16260	9.9
365.11267	2.6
367.09329	40.0
368.09702	6.0
375.09735	9.8
385.10345	3.5
393.10925	100.0
394.11258	12.1
405.17389	3.1
419.16159	2.3
430.11383	2.0
437.17432	1.9
445.13611	4.0
463.15161	18.9
464.15323	1.6
465.18570	1.9
481.16159	14.7
489.13165	3.4
507.14163	19.3
508.14139	4.0
525.14856	71.5
526.15344	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	523.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.1
57.02110	0.3
57.03326	3.9
58.00469	1.2
59.01251	17.0
60.01556	0.3
60.52618	0.2
61.98701	0.8
67.01741	0.2
68.99689	0.5
69.03320	0.9
69.57822	1.7
71.01251	24.0
71.04906	0.2
72.01585	0.3
72.99174	1.8
73.02818	9.2
74.03181	0.2
75.00742	1.1
78.95766	0.4
81.03326	0.4
83.01258	6.0
84.02042	0.3
85.02823	14.8
85.99982	0.4
87.00755	1.9
87.04398	2.2
89.02312	2.9
93.03326	1.5
95.01268	2.4
96.95885	0.5
97.02816	0.9
97.05850	0.2
97.06459	0.6
99.00757	3.6
99.07989	0.2
101.02320	19.9
102.02683	0.5
107.04931	0.6
108.02038	0.3
109.02868	0.3
109.06485	0.4
111.00756	5.4
111.04417	0.4
111.08075	0.3
113.02328	8.9
117.03318	0.3
118.98003	0.3
119.03409	1.2
119.04916	4.0
122.06017	0.3
123.08044	1.0
124.01553	0.3
125.02348	1.1
125.09628	0.3
129.01822	1.3
133.02859	0.5
134.03658	1.5
134.05988	1.2
135.04411	52.3
136.04742	2.6
137.02359	0.7
137.06004	0.4
137.09631	1.2
139.11163	0.5
141.01811	0.3
141.09102	0.5
141.12755	0.8
143.03416	1.0
143.10693	0.8
145.02835	0.7
149.09596	0.3
151.00226	0.2
151.03850	0.5
151.11119	0.2
152.01053	0.4
153.09094	0.9
155.09496	0.4
155.10680	5.3
156.11023	0.3
157.12219	0.3
159.02904	2.3
161.04477	2.7
163.03914	3.3
163.07550	0.3
163.11194	0.3
164.04318	0.3
165.09094	0.3
167.10765	0.3
169.12233	1.1
171.10242	0.3
171.13817	2.0
173.04506	1.8
173.11789	0.4
175.03908	0.3
176.03917	0.2
179.03412	14.1
179.10628	0.7
180.03700	0.8
181.08586	0.4
187.13319	1.4
189.05551	0.5
191.05498	3.0
191.10521	0.3
195.10202	0.6
199.09697	6.7
199.13376	0.6
200.10011	0.4
200.14073	0.3
201.14862	2.2
207.04979	0.3
212.07491	0.2
213.11378	0.4
217.14381	0.9
223.09715	0.3
228.10268	0.5
240.10136	0.3
241.10822	1.3
244.90503	0.3
253.10927	0.5
254.11879	0.4
255.12257	0.3
257.12152	0.7
283.11856	3.7
284.12143	0.3
298.10623	0.2
307.08127	0.4
315.25333	1.3
337.76315	0.2
341.27008	0.3
343.13956	2.3
343.28607	0.4
350.12598	0.3
355.13019	0.4
359.27991	2.2
360.28455	0.4
361.29587	17.5
362.30051	2.0
403.14417	1.2
419.15891	1.7
420.16440	0.3
432.60062	0.3
443.13330	0.4
479.19104	8.7
480.19537	1.9
521.33405	0.4
523.34869	100.0
524.18335	0.5
524.35168	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	523.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36856	0.3
55.01747	1.7
57.03323	4.0
58.00454	1.5
59.01250	29.7
60.01588	0.4
61.98705	0.8
65.88329	0.3
67.01744	0.4
69.03323	0.7
69.52653	0.3
69.71664	2.4
71.01250	38.5
72.01602	0.7
72.99171	3.6
73.02815	8.4
74.02338	0.3
75.00746	0.7
78.95757	0.8
79.95609	0.5
83.01259	5.2
83.04911	0.5
85.02821	16.3
86.00004	0.4
86.03115	0.4
87.00755	2.4
87.04392	1.1
89.02315	13.8
93.03345	2.3
95.01260	3.2
96.95899	1.7
97.02870	0.8
97.06464	0.5
99.00756	3.6
99.04378	0.4
101.02319	22.9
102.02621	0.6
107.04876	0.4
109.02859	0.4
111.00784	2.1
111.04405	0.6
111.52111	0.3
113.02325	14.3
113.05920	0.4
113.09612	0.4
115.03896	0.3
116.56637	0.4
119.03407	4.1
119.04890	3.3
121.02803	0.4
123.08046	0.9
125.02349	0.8
129.01863	0.4
131.03375	0.5
133.02832	0.4
134.03653	0.3
134.06017	0.5
135.04419	8.7
136.04727	0.6
137.02347	1.4
139.11208	0.6
141.09131	0.4
143.03435	1.6
151.00224	0.5
152.00996	0.4
152.07037	0.5
153.09117	0.6
155.10686	0.7
159.02847	2.1
161.02400	0.4
161.04472	5.9
163.03949	2.9
169.12361	0.6
171.10223	0.4
171.13805	1.7
173.04527	1.9
177.01877	0.7
179.03395	2.9
179.05463	1.0
180.06578	1.9
187.13358	1.2
191.05527	4.3
200.14159	0.6
201.14963	2.0
217.14406	0.5
226.06177	0.4
229.04355	0.5
285.03970	0.5
315.25397	0.7
327.07553	0.3
327.21851	0.8
332.11475	0.5
350.12305	0.6
359.27957	1.7
361.29590	21.9
362.29965	2.2
444.20670	0.7
521.34033	0.3
523.34869	100.0
524.15680	1.8
524.28052	0.6
524.35156	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	523.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18098	0.6
51.65651	0.6
57.03316	0.9
59.01245	4.4
66.16499	0.7
71.01251	0.9
71.57375	0.9
78.95774	31.4
79.21632	0.6
83.04893	0.9
96.96828	2.5
103.63117	0.6
113.09590	2.7
138.08641	0.7
152.99483	44.0
153.99774	0.9
171.00584	4.4
171.10086	0.8
174.98990	0.6
179.14290	1.6
181.12321	1.2
195.12021	1.1
195.13829	21.7
196.14160	1.2
217.00165	1.2
227.03212	5.0
245.04227	2.0
277.21716	20.1
278.22043	2.1
293.21161	1.5
295.22766	84.0
296.23090	8.5
359.01392	0.7
431.21979	2.3
523.26721	100.0
524.27069	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	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38670	0.8
57.03322	4.0
58.00476	1.0
59.01247	52.5
59.36081	0.7
69.03311	0.7
69.36826	4.1
69.37247	3.1
71.01248	13.8
73.02815	7.0
75.00702	0.9
80.96375	1.3
81.03332	1.2
83.01260	1.6
85.02814	7.1
87.00750	1.7
87.04379	1.6
89.02314	8.5
93.03336	1.2
95.01238	1.2
96.95899	1.0
97.02780	1.9
99.00771	1.4
99.04388	0.9
101.02328	10.7
109.02847	1.1
109.06412	0.8
113.02346	5.4
113.87724	0.8
117.05470	0.9
119.03380	2.4
119.04919	1.0
125.02323	1.1
134.06007	1.9
135.04347	1.0
135.06541	5.6
137.09615	4.2
138.05496	0.9
139.11179	34.0
140.11514	1.6
143.03398	1.7
155.10681	36.0
156.11017	1.7
161.04433	3.4
163.11131	2.1
165.09114	1.4
165.64722	0.7
169.12260	1.9
171.45439	0.8
179.05540	1.6
179.10686	1.1
181.12230	10.9
183.10187	34.2
183.11813	1.8
184.10521	1.6
191.05574	2.3
195.14006	0.8
197.11810	1.3
199.09680	20.9
199.13390	1.6
200.10100	1.4
209.11813	4.4
225.11287	12.4
225.14879	1.2
227.12799	7.4
235.08362	0.9
241.10846	3.7
243.12285	3.8
253.09261	6.1
279.10867	1.8
297.12146	0.8
301.12915	1.7
309.83810	0.8
361.15070	2.9
362.15469	0.8
403.16040	2.1
469.23016	0.8
505.22934	6.7
523.24036	100.0
524.24579	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	523.2187
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01251	4.8
62.79476	0.3
67.51467	0.3
71.01248	3.4
71.57298	0.5
72.99169	0.4
73.02825	1.5
83.01249	0.6
85.02834	1.5
87.00739	0.5
89.02311	1.0
93.03339	1.4
96.95902	0.8
97.02841	0.4
99.00710	0.3
99.04354	0.3
101.02332	2.1
108.02041	0.4
109.02837	4.6
109.22124	0.2
113.02330	1.4
119.04909	0.9
120.99604	0.3
121.02843	12.8
122.03634	10.8
123.00760	0.3
123.04468	1.6
124.01595	1.2
125.02350	0.3
129.01788	0.2
129.03368	0.5
131.03397	0.4
134.03625	1.1
134.06012	0.3
135.04379	1.6
136.01541	0.5
136.05231	1.2
137.02332	2.8
137.06013	0.4
137.09605	1.3
143.03412	0.3
146.03651	0.6
147.04425	5.2
147.17995	0.2
148.05165	0.4
149.06020	1.2
150.03152	0.3
151.03893	0.7
152.07002	0.2
153.01862	0.6
154.02628	1.7
155.10684	11.3
156.11082	0.5
161.04475	1.0
161.05983	1.8
162.06665	0.3
163.03906	1.0
164.04669	0.7
165.05481	22.9
166.05830	1.1
167.03423	0.3
168.04109	0.4
173.04518	0.4
173.05988	0.3
175.07614	0.6
177.05472	0.3
178.06293	0.4
179.03554	0.3
179.05470	0.5
179.07056	7.9
180.07443	0.3
181.08623	0.4
191.05534	1.2
191.07056	0.4
193.04929	0.4
193.08665	0.3
199.09692	10.5
200.10077	0.6
209.08128	0.8
211.05856	0.3
221.08110	0.3
223.09758	1.4
241.10803	0.9
298.12082	0.6
301.10339	0.4
301.13248	0.4
311.07755	0.5
313.14352	1.3
315.12344	2.5
316.12802	0.6
324.69427	0.3
346.14200	8.8
347.14548	1.1
361.16559	100.0
362.16907	11.7
403.15936	0.6
463.21811	1.0
512.09515	0.3
523.20386	2.4
523.27765	2.9
524.20245	0.9
524.27704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
56.32833	0.6
58.00459	1.0
59.00983	1.1
59.01253	12.6
60.42422	0.7
65.82811	0.6
69.66491	4.3
71.01248	7.3
72.99166	0.7
73.02828	5.6
73.45104	0.6
74.01365	0.6
74.81580	0.6
78.22562	0.6
79.53239	0.7
83.01254	1.2
83.83508	0.7
84.52227	0.7
85.02824	4.5
87.00762	1.6
87.04389	3.9
89.02321	2.1
93.03339	1.4
96.95882	1.9
97.02802	1.3
99.26696	0.8
101.02324	9.0
113.02348	4.5
119.04880	1.1
120.86811	0.7
125.02320	5.4
131.03372	1.3
132.04395	0.7
132.61604	0.7
134.06003	1.2
135.08049	2.1
137.02341	0.8
137.09616	15.6
138.05539	0.9
138.09943	0.8
143.03389	1.3
149.09752	0.8
155.10680	100.0
156.10992	4.5
161.04469	2.3
169.12296	1.8
181.08626	4.5
191.05498	3.9
199.09691	76.4
200.09975	4.0
213.11273	2.5
221.06572	1.5
241.10777	17.2
242.11108	1.4
271.11896	5.1
281.12894	1.7
301.12927	17.2
302.13385	1.0
343.14029	1.0
361.15021	39.9
362.15222	3.5
403.16064	41.8
404.16534	3.9
433.17108	2.6
438.91544	0.7
463.17722	8.2
464.18805	1.0
523.20398	3.8
523.27887	4.9
524.20715	1.7
524.28156	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	523.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13906	0.6
57.03312	2.2
58.00454	1.1
59.01254	25.8
69.03320	0.9
71.00883	1.3
71.01251	15.2
71.44671	1.6
72.99163	1.0
73.02808	6.9
75.00742	1.0
83.01251	1.1
83.04891	0.8
85.02825	7.1
87.00738	1.2
87.04375	5.2
88.94487	0.7
89.02319	7.6
93.03322	2.7
95.01247	0.9
96.95878	2.1
97.02840	1.9
101.02325	11.3
108.02064	1.8
109.06506	1.1
111.04408	0.8
113.02332	5.2
119.03363	0.9
119.04919	1.9
125.02306	1.6
134.05998	1.9
135.04411	1.0
135.06464	0.7
135.08083	1.5
137.09628	12.1
139.07495	0.8
139.11156	6.3
143.03413	1.2
146.05983	0.8
151.11205	1.1
152.01071	2.2
153.01791	0.7
155.10680	100.0
156.11017	4.4
161.04456	2.0
161.36176	0.7
163.03928	2.0
163.62567	0.7
165.09102	0.9
166.04951	0.9
169.12209	4.0
171.43643	0.8
173.04536	1.0
179.10715	1.8
180.06577	4.1
181.08612	4.8
181.12270	1.6
183.10182	6.8
191.05519	2.0
199.09689	71.0
200.10066	3.7
209.11838	2.3
213.11255	4.9
225.11220	2.3
227.12804	1.5
241.10771	17.1
243.12369	1.6
271.11899	4.9
276.35474	0.7
281.13080	1.4
283.11981	1.1
301.12897	15.3
302.13382	1.0
343.13916	1.6
361.15027	32.0
362.15350	2.8
403.16061	0.8
436.75162	0.7
459.66876	0.9
463.25385	1.5
523.20630	22.9
524.20563	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.0
59.01252	13.8
69.65643	2.1
69.66052	3.3
71.01249	8.0
73.02817	5.6
78.25104	0.7
78.33043	0.8
81.03303	1.0
85.02827	3.5
87.00751	2.8
87.04379	5.4
89.02312	4.1
93.03340	1.2
96.95888	12.7
97.02802	1.4
99.00776	0.8
99.04432	0.8
101.02321	6.4
111.04388	0.9
113.02296	3.1
119.03409	1.7
119.04893	0.9
125.02327	1.7
135.08054	2.1
137.09604	14.2
155.10680	83.8
156.11041	4.7
161.04485	2.9
169.12253	2.8
179.05550	3.8
181.08630	2.2
191.05511	1.8
199.09691	43.3
200.10027	2.2
213.11266	2.3
241.10751	13.6
261.44382	0.9
301.12943	1.6
301.20102	0.9
305.10583	5.3
361.14941	1.5
463.25751	1.7
481.26688	2.1
523.20355	100.0
523.27582	11.5
524.20831	11.4
524.28107	1.2
536.04865	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	523.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01608	0.4
55.01747	0.6
57.03318	1.6
59.01251	18.6
61.15675	0.4
63.96109	1.1
69.03321	1.1
69.28985	2.8
69.29391	1.2
71.01251	15.6
71.04912	0.7
72.99178	1.2
73.02816	3.5
74.02340	0.4
75.00758	0.5
78.95805	0.4
78.98459	5.9
79.95602	10.1
80.96388	63.3
81.03334	1.4
83.01263	1.8
85.02823	6.1
87.00744	3.5
87.04377	0.5
89.02318	5.8
92.15211	0.4
93.03334	2.1
94.97374	0.9
94.97963	14.5
95.01256	1.2
96.95909	2.3
97.02828	2.1
97.06457	0.6
99.00753	1.5
99.04386	0.8
101.02322	8.7
101.41476	0.4
106.97980	3.0
107.04896	0.6
109.02805	2.2
111.00695	0.4
111.04348	0.5
113.02320	4.3
119.03385	1.8
119.04887	1.3
121.02792	0.6
122.05991	0.7
122.97471	5.5
125.02330	3.2
127.03876	1.0
133.02867	0.5
134.03621	0.9
134.97482	4.6
135.04411	11.3
136.04755	0.7
136.99045	1.1
137.02310	1.9
137.05951	1.6
143.03381	0.6
146.97496	0.8
148.99043	6.4
152.07053	0.9
152.98538	7.0
153.01799	1.5
155.10660	2.0
161.02348	0.6
161.04436	1.3
162.09125	0.5
163.03885	0.6
164.98531	11.6
167.00108	0.8
173.04506	2.5
173.05783	0.5
175.03891	0.5
177.01857	2.3
178.02197	0.5
179.02151	0.9
179.03505	1.0
179.05617	0.5
179.07054	0.4
180.06598	0.5
181.04982	2.1
181.06551	0.4
182.99605	3.0
187.13312	0.4
188.98729	0.4
191.05524	2.9
195.13739	0.6
199.09634	2.0
203.10854	0.4
205.08592	0.4
206.99632	3.2
223.13310	2.8
225.00696	17.7
226.00961	0.7
240.36296	0.5
241.10663	0.5
243.01721	2.0
283.11920	1.0
297.12387	0.6
299.04401	2.3
304.75464	0.4
305.08548	0.6
349.06992	0.5
359.27975	0.6
361.29608	5.9
370.06165	0.5
479.20148	3.9
522.33508	1.2
523.18506	100.0
523.34845	17.1
524.18878	13.5
524.24988	0.3
524.35345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1823
Annotation	Verbenabraside B
Peak:m/z	Relative Intensity
53.99585	0.3
57.03327	1.0
59.01248	9.7
60.99149	0.4
61.98703	0.9
64.30569	0.3
66.44539	0.3
67.01742	0.4
69.03329	0.7
69.25246	3.3
69.25663	0.6
71.01255	6.4
72.99180	1.2
73.02821	9.4
75.00728	0.4
78.95792	0.6
79.05393	0.5
81.03330	0.8
83.01239	1.1
83.04897	0.6
85.02820	3.3
87.00756	1.2
87.04388	2.4
89.02323	4.7
91.05375	0.4
93.03336	3.6
95.01270	1.1
95.04897	1.2
96.95889	3.0
97.02825	1.6
97.06461	11.4
98.19817	0.7
99.00735	0.6
101.02333	3.9
101.49152	0.4
106.06467	0.5
107.04877	0.4
108.02061	5.9
109.02847	4.2
109.06418	0.9
111.00761	0.4
111.04382	2.0
113.02331	2.3
115.03865	0.8
119.04918	100.0
120.05226	4.0
121.02798	0.8
121.06482	3.0
123.00743	0.5
123.04426	5.8
125.02303	0.7
125.05956	0.6
131.03389	1.6
134.03654	1.0
134.06018	0.4
135.04428	10.0
135.38121	0.4
137.02341	1.4
139.03743	0.4
139.07530	1.7
141.02007	0.4
141.05489	10.3
143.03322	0.4
149.02420	1.0
149.04448	4.4
150.02960	0.5
151.00323	0.9
151.03943	0.5
151.11145	0.6
152.01083	6.0
153.01891	1.9
153.05490	0.6
153.09103	1.2
157.05087	0.3
157.62926	0.4
161.02295	0.5
161.04480	0.5
163.03922	76.3
164.04314	3.7
165.05424	1.0
169.01381	0.4
171.10162	0.7
173.04512	2.4
175.06155	0.7
176.03484	0.7
179.03419	8.5
180.03748	0.4
180.06555	0.6
183.06523	1.3
188.56372	0.5
191.05531	5.7
192.05931	0.5
207.10223	0.4
215.09152	4.4
215.10777	0.4
227.12840	0.5
257.10321	1.2
271.02319	0.5
287.09790	0.4
299.11493	0.9
300.02560	1.0
350.12457	0.7
359.13428	6.5
360.13657	1.0
361.29770	0.5
417.11465	0.4
442.16068	0.5
449.14737	1.7
463.21024	0.5
505.10611	0.5
505.17120	2.3
506.16641	0.8
522.26117	0.6
523.18329	27.2
523.34973	1.9
524.18536	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	523.1823
Annotation	gelsemiol-6'-trans-caffeoyl-1-glucoside
Peak:m/z	Relative Intensity
51.65896	0.2
55.01776	0.2
57.03323	0.5
57.87179	0.3
59.01248	7.0
61.98693	0.3
67.01760	0.3
69.36628	2.2
71.01257	3.0
72.99203	0.3
73.02805	1.1
74.02380	0.2
78.98474	0.3
79.95624	0.6
80.96389	3.3
81.92254	0.2
83.01282	0.5
83.04899	0.3
85.02822	1.8
87.00763	0.6
87.04401	1.0
89.02329	0.9
93.03344	1.3
94.97958	0.8
95.01234	0.3
96.95902	0.9
97.02818	0.5
98.20538	0.4
99.00764	0.4
101.02301	1.9
106.04176	0.3
106.06509	0.3
107.04891	1.2
108.02044	2.5
109.02843	1.8
111.00773	0.3
113.02322	1.1
117.03323	0.4
118.97959	0.4
119.03383	0.3
119.04864	0.2
125.02340	0.6
133.02849	0.3
134.03648	3.3
134.06082	0.3
135.04422	100.0
136.03812	0.4
136.04761	4.6
137.02319	0.4
137.09637	0.9
139.03847	0.3
143.03494	0.2
146.03639	0.5
148.99026	0.3
151.03944	0.5
152.01045	2.0
152.98491	0.3
153.01848	0.5
155.10681	4.6
161.02336	0.2
161.04431	0.4
161.05930	0.3
163.03897	0.3
163.07462	0.3
164.04712	0.4
164.98549	0.7
169.97449	0.2
171.10158	0.3
173.04520	1.2
174.83372	0.2
177.01959	0.3
179.03423	90.1
179.10625	0.7
180.03778	4.1
181.01091	0.3
181.08612	0.6
181.12407	0.3
186.08975	0.2
189.05429	0.4
191.05574	2.1
191.10695	0.3
199.09683	7.0
200.10023	0.5
225.00740	0.8
228.10269	0.6
241.10768	1.9
253.10719	0.6
255.12296	0.4
257.12103	0.4
279.08383	0.2
283.11871	3.6
343.13953	3.8
344.14435	0.4
361.29401	0.9
375.17120	0.3
403.14148	0.7
435.19318	0.5
462.31662	0.3
463.32080	0.3
471.95987	0.2
473.29593	0.2
479.18671	0.5
505.17230	0.3
522.33167	0.4
523.18158	14.8
523.34778	3.4
524.18182	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	523.1823
Annotation	Verbenabraside A
Peak:m/z	Relative Intensity
53.41840	0.3
57.03312	0.5
59.01249	4.6
69.03314	0.4
69.52383	2.3
71.01265	1.7
71.04918	0.3
72.17931	0.3
73.02810	0.8
73.51853	0.3
78.95770	0.8
85.02816	1.6
87.00762	0.6
87.04385	3.5
89.02312	0.4
93.03337	1.1
95.04904	0.3
96.95901	0.4
97.02863	0.7
97.06496	0.4
99.00767	0.3
99.04393	0.5
101.02354	1.6
106.06490	0.5
107.04916	1.1
109.06438	0.5
113.02319	0.6
119.04910	1.7
125.02369	0.6
125.05975	0.5
134.03644	3.1
135.04414	100.0
136.04736	4.1
137.09616	2.8
139.07504	0.8
141.09114	0.3
150.05493	0.4
151.11229	0.6
152.07094	0.6
155.10689	14.9
156.10982	0.8
161.02324	0.3
163.03931	0.8
163.07597	0.4
163.11253	0.3
167.10707	0.5
169.12257	0.8
173.04434	1.1
177.09218	0.4
179.03416	11.1
179.10692	1.3
180.03745	0.3
181.08611	1.3
186.12886	0.5
191.05537	2.0
191.10727	0.8
193.05119	0.3
195.10199	0.9
199.09694	16.0
200.10062	1.0
213.11253	0.5
223.09706	0.6
225.11273	0.5
230.11824	0.3
241.10773	4.9
253.10728	0.9
254.10869	0.3
255.12186	1.2
274.10852	0.6
279.08774	0.4
283.11856	8.5
284.12250	0.8
343.13959	4.7
344.14310	0.5
435.19769	0.3
479.19232	15.2
480.19440	2.6
505.18225	1.1
523.18164	1.2
523.24933	0.8
523.35339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.8
57.73217	0.5
59.01250	18.2
61.98674	0.9
68.22819	0.5
69.69370	0.8
69.69775	2.8
71.01251	4.2
72.99183	1.2
73.02806	2.1
74.02335	0.6
78.95786	1.1
79.95596	0.9
80.04919	4.5
83.01272	0.6
83.04900	1.0
85.02813	2.7
87.00742	0.9
89.02302	1.9
93.03320	1.7
94.06479	1.2
95.01211	0.7
96.95893	5.8
98.19807	0.7
98.99480	0.5
99.00755	0.9
101.02312	2.4
106.06506	4.3
107.03632	2.1
107.04881	0.7
108.02063	0.6
108.04445	7.1
108.08084	2.1
109.02844	1.8
113.02336	2.2
119.03378	1.1
119.04887	3.2
121.05225	1.3
122.06007	15.6
123.06303	0.7
124.07529	1.3
125.02322	0.8
128.03461	0.8
132.04456	5.7
134.03601	0.8
134.06006	8.4
134.09608	0.7
135.04446	7.0
136.04733	0.7
136.07576	11.0
137.02336	1.5
138.05476	0.7
139.02638	0.6
139.99986	0.6
146.06030	2.2
147.04431	0.5
148.07597	1.3
150.05554	1.8
151.03848	0.5
152.01059	1.3
152.07080	34.0
153.01857	1.3
153.07408	1.4
155.03458	0.6
155.10674	1.4
160.04047	0.6
160.07578	3.1
161.02312	1.0
162.05518	2.5
162.07799	0.8
162.09151	15.7
162.10432	1.2
163.03938	1.4
173.04457	2.9
174.05400	0.7
177.01778	0.6
179.03448	4.4
180.06586	27.2
181.06874	1.1
181.12280	1.0
188.07121	2.3
191.05563	4.6
199.09821	1.0
206.08185	2.9
207.05026	0.8
207.10228	1.8
208.10529	1.6
209.11786	2.9
211.08656	3.2
213.10287	1.0
223.08777	1.4
225.11145	3.1
226.11566	3.4
227.11928	2.5
237.10295	0.6
238.11053	1.9
239.08159	1.5
239.11848	5.2
241.00273	0.8
241.09752	1.7
241.13470	1.0
241.17970	0.7
251.08102	0.7
253.09756	4.2
253.13429	2.3
255.07964	0.7
265.09732	0.8
266.10666	3.4
267.11298	3.4
268.12125	1.1
269.12897	4.0
270.13086	0.6
277.09775	1.3
279.11212	1.4
281.12985	6.2
285.12393	3.1
287.18683	1.1
289.11282	1.4
295.10815	1.5
295.14020	0.6
297.12451	9.6
298.12869	0.6
311.10236	0.9
312.11139	0.9
313.11859	4.8
325.11920	1.5
377.54639	0.6
422.20789	1.2
432.19601	0.8
450.20355	11.6
451.20734	1.7
460.18765	2.4
461.19788	0.7
462.20654	2.9
478.19824	100.0
479.20093	17.1
504.17429	1.1
522.09174	1.3
522.22308	1.1
522.33759	5.6
523.24036	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	521.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.3
61.30708	0.5
69.39291	4.9
78.95776	18.5
96.96845	3.7
98.20589	1.2
103.81072	0.5
104.68353	0.6
122.98407	2.0
124.99950	1.9
125.08974	0.5
151.01576	1.5
152.98289	1.0
152.99483	10.1
153.99823	1.5
185.00183	0.6
241.03043	0.7
259.04114	1.2
279.23279	100.0
280.23605	9.4
309.88354	0.6
384.72137	0.5
433.23880	0.6
434.23856	1.7
459.25290	4.1
521.26965	7.3
535.86792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.0
57.85473	0.9
59.01252	29.6
61.98703	1.1
69.03318	1.2
70.72034	2.8
71.01254	10.2
72.84949	0.8
72.99189	1.4
73.02809	2.5
80.04918	1.2
83.01247	1.7
83.04891	1.0
85.02812	5.0
87.00764	2.2
89.02311	3.9
93.03329	4.2
95.01266	2.9
96.95888	5.7
97.02792	1.2
101.02313	5.8
104.07666	1.0
106.06488	3.3
107.01299	1.2
108.02051	57.6
108.04413	4.0
108.08057	2.5
109.02847	26.6
109.04817	0.9
111.00764	2.3
113.02332	4.9
117.03402	1.0
119.03437	1.3
119.04890	2.6
121.02827	2.3
122.05979	2.1
123.00751	2.0
125.02365	1.5
127.99940	1.0
128.57866	0.9
130.11961	0.9
132.04442	2.5
133.02846	1.8
134.03641	15.3
134.05977	9.6
135.00742	1.6
135.04460	5.4
135.06335	2.5
136.07587	5.3
137.02353	3.4
139.00314	1.5
145.02870	1.1
148.07602	1.8
149.02356	10.5
149.06073	1.2
149.99591	1.0
150.03059	2.4
150.05473	1.3
151.00269	2.8
152.01060	70.4
152.07068	5.5
153.01860	10.9
153.07413	1.6
160.07594	1.4
161.02335	1.4
161.04431	1.6
162.05540	1.2
162.09148	5.7
163.00208	1.2
163.03900	3.7
163.09483	3.0
164.01105	1.0
164.04706	8.0
164.06961	0.8
165.01848	1.4
167.03453	0.9
169.04875	1.0
173.04527	4.5
175.02411	1.4
176.01033	1.0
177.01880	3.4
178.99713	2.1
179.03441	1.6
179.07100	1.8
180.06609	10.4
181.06885	3.9
191.03781	1.6
191.05542	8.8
194.02061	2.0
195.02916	1.1
199.03853	1.7
208.03693	4.3
209.04437	3.0
217.05081	1.5
223.06065	22.3
225.10686	1.2
226.10872	1.3
227.03354	1.3
233.04659	1.0
243.02942	1.5
253.09694	2.9
253.13181	0.9
254.10359	1.6
254.13803	1.3
255.03032	2.4
255.19618	1.4
257.17593	2.2
259.86526	1.0
267.11145	1.0
269.12769	1.1
270.01892	1.8
271.02441	6.5
272.03143	2.5
279.11426	2.2
280.11615	2.4
281.12759	1.6
282.13409	2.4
285.04025	1.8
287.01984	1.5
297.12265	1.2
299.01932	8.3
303.70700	1.0
313.11890	2.1
314.12405	1.3
315.13361	2.1
316.02167	4.8
317.03043	2.0
353.08997	1.7
419.22842	1.6
421.11227	1.5
432.19388	2.1
433.19397	2.2
446.17432	1.1
460.18762	4.7
461.18948	14.7
461.25076	1.0
493.22012	1.5
512.20923	1.4
520.20978	6.2
520.33514	3.8
521.12842	100.0
521.21088	30.1
521.33472	4.0
522.13818	14.3
522.20966	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	521.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.8
59.01250	82.7
65.00198	2.3
68.99664	1.5
69.03316	1.4
71.01251	23.2
72.38564	1.2
72.99181	2.3
73.02823	10.2
74.02343	13.1
78.95784	1.8
80.33994	1.3
83.01249	4.7
83.04869	1.5
85.02814	14.9
87.00751	5.1
89.02318	4.9
93.03324	6.3
95.01287	5.5
96.95882	3.2
97.02820	2.2
97.06462	2.9
99.00770	4.0
101.02306	14.4
107.01271	3.6
108.02050	2.8
109.02853	6.9
109.06435	1.2
109.99988	6.8
111.00750	3.6
113.02336	15.1
118.97972	2.2
119.03360	1.5
119.04910	2.7
120.99541	1.3
121.02844	2.0
123.00746	4.6
123.04397	1.5
124.01574	3.2
125.02309	2.9
131.03441	2.2
133.02873	2.5
134.03622	2.2
135.00771	1.5
135.04436	10.3
136.01538	6.0
136.98727	1.7
137.02289	5.3
139.00291	6.5
139.03860	1.4
139.11176	13.0
143.03426	2.1
143.04947	1.2
146.03587	2.2
149.02333	3.0
151.00279	13.2
151.03914	5.6
152.01039	7.8
152.04314	3.1
152.07143	1.3
153.01855	3.4
155.10643	1.6
159.04382	3.2
160.05173	1.4
161.02414	2.5
161.04478	5.0
163.00290	3.4
163.03906	3.0
163.11198	1.6
164.01035	3.4
165.98979	5.8
166.99748	3.9
171.04413	3.2
173.02353	1.4
173.04486	5.4
174.03065	1.9
175.03848	1.9
177.01845	3.1
178.99799	10.4
179.03426	2.7
181.12202	7.8
183.04330	2.0
183.10190	19.2
186.03186	1.5
187.03963	2.8
188.04268	1.1
189.01903	2.4
191.03790	1.8
191.05550	11.1
198.03180	3.0
199.03987	7.2
200.04550	1.4
201.01898	2.5
201.05643	1.5
203.03465	3.3
205.01343	1.8
206.99236	1.5
209.11894	2.4
213.75336	1.2
214.02631	2.6
215.03456	4.3
216.04227	2.2
217.01352	1.7
225.11220	3.8
226.02733	1.3
227.03479	10.1
227.12788	5.1
231.02956	4.6
241.01331	3.6
241.14359	2.3
242.02176	7.4
243.02931	12.7
243.12289	5.5
244.03572	3.1
245.00725	2.1
245.04515	2.0
255.02962	5.7
259.02408	4.0
270.01730	9.6
271.02472	38.9
272.03192	16.8
273.04025	5.0
287.02032	16.1
287.15057	2.3
288.02536	7.4
298.01099	4.5
299.01929	34.7
300.02328	6.0
315.01620	2.2
316.02191	58.7
317.02899	25.6
345.15466	2.2
358.13843	3.6
359.14154	2.1
359.27991	2.4
367.26544	1.5
377.28970	4.4
385.07581	1.6
389.17661	1.9
409.07379	1.7
417.24823	3.4
429.17599	2.5
435.25778	3.4
447.18707	33.3
448.19229	1.5
477.10043	2.7
479.08408	4.2
503.08298	5.2
520.28058	11.2
521.09357	100.0
521.22595	24.3
521.33917	10.3
522.09570	15.5
522.22687	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	521.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43747	1.0
52.68404	1.1
55.24562	0.9
57.03307	4.3
59.01250	44.6
61.98701	1.1
63.02266	2.5
65.00172	1.9
65.24998	0.8
67.01743	1.0
69.53671	6.7
69.54082	1.4
71.01252	15.9
72.69121	1.0
72.99182	1.8
73.02818	8.6
74.02347	12.5
75.00729	1.2
81.03329	1.1
83.01244	5.0
83.04865	1.1
85.02811	8.4
87.00727	3.2
89.02313	21.0
93.03318	5.0
95.01260	3.3
96.19009	1.0
96.95889	6.4
97.02818	1.2
98.19794	2.3
99.00720	2.1
101.02300	8.3
106.06505	1.2
107.01263	2.8
108.02053	2.2
109.02865	6.1
109.06488	1.3
109.99965	3.5
110.36759	0.9
111.00735	4.2
113.02335	7.0
119.03371	1.8
119.04893	3.6
120.05228	1.3
121.02852	1.9
122.06043	1.5
123.00803	4.9
124.01516	3.5
125.02315	3.8
133.02850	2.5
135.04405	11.5
136.98688	2.3
137.02328	3.6
137.99484	2.5
139.00258	4.0
145.02890	1.2
149.02295	2.8
151.00264	8.0
152.01062	6.4
153.01836	4.5
159.04486	1.6
161.02347	3.2
161.04462	1.3
163.00243	5.1
163.03899	3.3
164.01086	4.7
165.01956	1.3
165.98982	4.4
166.99751	4.6
169.01382	1.0
171.04343	2.4
173.02283	1.4
173.04478	3.6
174.03131	1.1
175.03886	1.5
177.01797	2.9
178.99788	11.8
179.03360	5.8
180.06648	1.2
181.01401	1.6
181.12317	1.0
183.04385	1.5
183.10046	1.1
185.02328	1.2
187.03938	3.8
189.01871	1.3
189.05467	1.3
190.02747	1.7
191.03462	1.7
191.05510	9.0
198.03061	1.3
199.03876	4.5
199.09550	1.0
200.04636	1.4
201.01834	2.2
202.02516	1.2
203.03419	2.8
207.04919	1.3
207.10197	2.4
207.53569	1.0
209.11768	2.5
211.03951	1.9
213.01717	1.3
214.02626	3.0
215.03421	4.3
216.04115	2.4
217.04915	1.1
218.02019	1.1
219.02747	1.6
225.11230	1.5
226.02661	1.7
227.03412	7.7
227.12883	4.6
230.02351	1.0
231.02980	5.1
233.06648	1.5
241.01381	1.7
241.14345	1.7
242.02164	7.8
243.02965	11.0
244.03523	3.1
245.00891	1.6
245.04266	2.5
251.07693	9.6
253.09192	1.2
255.02890	5.3
259.02444	3.7
260.03159	1.7
269.13913	1.3
270.01666	10.2
271.02472	40.7
272.03146	10.4
273.04007	5.2
287.01944	18.9
287.04919	1.6
287.14893	1.9
288.02652	11.4
289.03278	1.3
293.08786	4.5
298.01129	2.5
299.01962	31.3
300.02448	3.0
301.03427	2.0
316.02203	61.1
317.02921	28.5
329.13837	1.0
359.27924	1.3
361.65878	1.0
377.29047	1.8
385.07913	1.7
460.25159	1.3
461.20181	2.2
477.10419	2.5
478.20279	2.3
479.07910	1.6
503.08054	2.9
503.21271	2.0
520.27002	8.9
520.34283	2.0
521.09338	100.0
521.21033	24.8
522.09589	14.8
522.21979	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	521.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	10.7
63.02263	2.2
65.00209	5.3
67.59150	1.1
69.58968	1.9
69.59373	5.9
71.01268	2.6
73.02801	2.6
74.85978	1.5
79.95654	1.4
83.01242	4.1
85.02786	1.0
87.00772	1.1
93.03329	5.2
95.01253	5.0
98.19850	2.3
101.02311	2.5
107.01274	6.6
108.02023	2.1
109.02805	1.6
111.00758	10.2
117.03337	3.2
121.02799	1.9
123.00754	4.2
124.01518	3.4
124.23019	1.1
125.02332	5.0
130.04106	1.4
132.02055	2.7
133.02835	2.2
135.04407	4.0
136.98663	1.3
137.02338	5.3
139.00250	13.5
143.04892	3.1
145.02841	4.6
149.99458	1.7
151.00261	19.4
151.03868	1.4
152.00992	3.4
153.01846	1.4
155.04927	2.0
157.02815	2.4
159.04469	6.1
160.54689	1.2
161.02357	2.8
163.00275	4.7
164.01025	4.0
164.98222	1.8
165.01854	2.5
165.98859	1.6
166.99754	2.1
168.00502	1.5
169.01352	2.4
171.04417	5.9
174.03159	2.5
175.03841	3.2
177.01793	1.1
177.98935	2.5
178.99794	16.6
179.03383	1.6
183.04434	3.3
187.03947	5.7
188.04678	2.6
189.01863	2.5
189.05592	1.8
190.02641	1.2
190.99695	1.4
191.05400	1.1
192.00578	4.3
193.01237	1.9
194.99278	1.5
199.04031	5.5
201.01907	1.6
201.05591	1.3
203.03404	4.3
205.01210	1.6
206.99222	3.1
208.00002	1.7
211.03851	1.4
214.02684	3.6
215.03471	7.4
216.04185	7.9
217.05014	8.2
218.01926	1.1
227.03447	7.6
229.04927	1.8
231.02953	4.1
232.03729	2.2
241.01282	2.2
242.02133	4.7
243.02969	14.7
244.03658	2.1
245.04578	2.7
254.69958	1.1
255.02913	9.5
259.02420	12.4
260.03186	1.2
270.01617	7.2
271.02451	53.7
272.03046	8.8
273.04016	4.4
283.02429	5.0
285.03949	4.3
287.01971	18.8
288.02466	2.5
289.03503	3.7
297.03879	2.0
298.01230	1.8
299.01932	42.8
299.05347	2.3
300.02432	3.5
301.03400	3.7
316.02228	51.9
317.02942	25.8
355.10303	1.3
401.07129	1.4
421.11273	9.7
484.24176	1.2
493.09647	4.1
503.08105	2.7
521.09320	100.0
522.09692	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	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51805	0.2
54.64740	0.2
56.42908	0.2
57.71569	0.2
59.01236	0.8
60.20248	0.2
63.55993	0.2
66.54562	0.2
69.40074	1.7
76.80099	0.2
78.95772	46.6
92.20999	0.2
96.96839	5.9
138.93906	0.2
150.97905	1.9
152.99483	100.0
153.99806	1.5
171.00542	3.6
184.24965	0.2
189.05432	0.2
211.78979	0.2
275.26318	0.2
279.23273	2.4
280.23676	0.9
335.56238	0.2
433.23569	21.3
434.23898	2.6
520.26727	3.9
521.27246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0934
Annotation	Quercetagetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.73903	0.3
59.01253	2.7
63.02266	1.5
65.00180	2.6
67.01746	0.7
68.99709	0.6
69.03326	0.4
70.52803	0.6
70.53107	0.4
71.01262	1.5
73.02802	0.9
81.03310	0.3
82.00420	0.4
83.01268	1.2
85.02831	0.4
88.59568	0.3
89.02322	0.6
93.03320	0.8
95.01263	2.8
96.95918	0.5
96.99197	0.4
99.00750	1.0
101.02328	0.5
103.98705	0.3
107.01273	3.1
108.02051	0.9
109.02846	4.3
109.99972	6.3
111.00768	4.2
113.02274	0.3
119.01237	0.6
119.04884	0.8
121.02814	0.6
123.00769	4.2
124.01575	3.5
124.98651	0.5
125.02336	2.0
133.02823	1.0
135.00783	0.9
136.01552	0.7
136.98726	1.9
137.02347	1.1
137.99484	2.2
139.00273	6.6
139.03880	0.5
141.01807	0.9
141.98891	0.3
143.04889	0.7
145.02861	0.8
146.03671	1.5
146.14354	0.3
147.04364	0.5
148.01559	1.6
149.02382	1.5
149.99478	0.4
150.03104	0.6
151.00272	12.0
151.01501	0.6
151.03847	0.3
152.01054	7.3
153.01862	1.9
155.04892	0.4
158.03622	0.5
159.04404	2.0
161.02318	1.7
163.00302	4.2
163.03952	0.9
164.01067	4.3
164.98203	0.4
165.01804	1.3
165.98985	6.7
166.99776	5.3
169.01302	1.1
171.04454	1.7
172.01442	0.3
172.05092	0.5
173.02361	1.3
173.04388	0.3
173.06020	0.5
174.03134	1.8
175.00291	0.6
175.03865	1.6
176.01051	0.9
177.01830	0.8
178.99779	12.0
180.00447	1.0
181.01321	0.7
183.02946	0.4
183.04436	1.7
185.02357	0.6
186.03127	1.7
187.03941	3.4
188.04639	1.2
189.01912	2.3
190.02606	1.1
190.99773	0.9
191.03357	0.9
191.05481	0.4
192.00534	1.2
193.01331	1.1
193.98485	1.0
194.99281	0.7
197.02353	0.7
198.03148	2.3
199.03943	5.7
200.04555	1.0
201.01872	3.0
201.05548	0.9
202.02629	1.1
203.03474	3.3
204.04010	0.5
205.01389	0.9
206.02126	0.5
206.99300	1.4
207.02974	0.4
207.09926	0.3
208.00055	1.2
209.00984	0.3
211.03954	1.0
213.01849	1.3
214.02664	4.1
215.03409	5.9
216.00598	0.6
216.04219	2.5
217.01315	1.1
217.04904	1.0
218.02161	0.8
219.02974	1.0
225.01939	0.7
226.02611	1.9
227.03464	7.5
228.04050	1.1
229.01340	1.7
229.04929	0.5
230.02170	1.5
231.02948	4.3
232.03748	1.6
233.04390	0.7
241.01427	2.5
242.02153	8.4
243.02934	13.5
244.03671	3.4
245.00897	1.9
245.04463	1.6
253.01447	0.5
254.02197	1.0
255.02957	6.2
256.03513	0.7
257.00940	0.7
257.04617	0.4
258.01498	0.6
259.02454	5.7
260.03210	2.3
261.03937	0.4
269.00992	0.5
270.01672	12.8
270.04584	0.6
271.02463	52.6
272.03143	12.3
273.03943	4.9
274.04462	0.4
281.00995	0.7
282.01740	0.4
283.02435	0.4
287.01971	24.9
288.02621	11.5
289.03290	1.5
298.01144	3.7
299.01932	38.1
300.02417	4.6
301.03461	1.4
315.01407	2.3
316.02203	89.2
317.02902	28.6
318.03146	1.9
348.15155	0.3
353.08655	0.5
354.38803	0.3
359.04016	0.6
385.07724	1.4
409.07791	0.5
477.10547	2.0
479.08249	2.8
503.08127	3.4
504.08667	0.6
521.09326	100.0
522.09656	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	520.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.2
57.26668	1.9
57.48847	2.0
59.01242	24.8
62.81322	2.1
65.00204	5.2
65.99722	3.6
67.41724	2.2
67.48972	2.1
67.83507	2.2
68.00262	2.2
68.01273	2.9
71.01250	20.9
71.57398	2.3
73.02828	8.7
83.01285	3.8
85.02814	10.8
87.00771	5.2
89.02324	5.9
91.75912	1.9
93.03339	7.5
94.80101	2.5
95.01311	4.6
96.95863	11.3
97.02809	2.5
99.00748	2.6
101.02325	7.3
107.01279	8.8
108.02050	3.7
109.02845	16.8
111.00785	2.8
113.02344	7.1
121.02869	6.1
123.00772	3.9
124.01556	4.7
125.02357	7.0
133.02802	4.2
134.02388	6.6
135.00839	3.2
135.04448	4.4
137.02339	15.6
145.02904	3.0
148.01567	16.1
148.03981	2.5
149.02396	7.9
151.00258	24.4
152.01038	4.8
159.04420	3.2
160.00346	5.3
160.03963	3.0
161.02399	3.5
161.04486	5.3
162.01819	15.5
163.00302	6.6
163.02600	3.0
163.03908	3.9
164.03471	9.4
165.01927	3.2
166.99770	3.5
169.01334	3.1
171.04442	3.1
173.04602	4.9
175.00285	5.0
175.03964	2.8
176.03450	2.2
177.01865	32.9
178.99800	13.5
179.03511	3.0
181.46165	2.1
186.01933	8.2
187.04033	3.3
190.01355	6.0
191.02014	6.5
191.03696	3.6
191.05504	25.9
192.00572	2.8
192.05891	4.8
193.01381	4.9
194.08229	2.4
199.03990	4.3
201.05504	3.0
202.01395	3.5
202.99854	5.4
203.01985	3.1
203.03654	3.3
204.02910	30.2
205.01526	2.6
207.02934	2.9
208.00198	2.6
215.03546	4.8
217.05031	2.8
227.03488	8.6
229.01445	3.1
230.00986	7.1
241.05051	2.5
243.03017	6.0
255.03038	7.2
268.02536	5.9
269.00867	4.7
270.01538	5.1
271.02454	30.4
272.03232	9.8
273.04117	6.3
281.06726	3.3
283.02374	3.1
285.04016	5.8
286.03625	4.0
287.02011	5.3
294.04150	7.5
295.02420	3.9
299.01959	37.0
300.02606	11.3
301.03616	3.2
303.09216	2.3
310.03711	3.8
311.07684	2.5
312.02072	3.8
313.03531	12.1
314.04196	6.2
315.04773	3.2
316.02112	16.1
317.02997	27.3
318.03577	3.0
322.03476	14.1
323.04263	2.9
339.03818	19.2
340.00986	27.5
340.04678	40.4
341.01474	3.6
341.05096	3.7
343.06360	3.0
355.06744	10.8
357.04953	18.6
358.05493	12.0
366.08508	2.7
384.09409	27.6
385.10016	3.5
410.07129	19.8
411.08014	2.7
462.08505	3.6
479.08182	13.9
480.08749	3.4
490.23016	2.7
502.09937	35.4
519.24493	3.0
520.11066	100.0
520.26361	4.7
521.11029	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	519.3326
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
57.03330	0.3
59.01250	10.1
60.99154	1.3
70.92262	0.8
71.01257	1.9
71.04897	1.7
73.02811	1.6
74.02341	0.3
75.76422	0.3
76.12280	0.3
77.71693	0.2
78.95767	0.3
83.01264	0.4
85.02824	1.3
87.00721	0.5
89.02306	0.9
91.16206	0.3
93.03326	0.7
95.01255	0.3
95.04974	0.3
96.95890	0.8
97.02787	0.3
99.00765	0.3
99.04391	0.4
101.02316	1.5
106.06566	0.3
109.02814	0.6
113.02301	0.9
115.04967	0.3
119.03388	0.4
119.04871	0.5
120.99483	0.3
133.02843	0.3
134.03673	0.5
134.05948	0.8
135.04404	1.4
153.01836	0.3
161.04401	0.4
173.04480	0.8
179.03418	0.6
191.05608	1.5
219.07591	0.3
243.02916	0.7
271.02411	0.7
285.03894	0.4
299.01950	1.1
314.04330	0.4
343.87201	0.3
353.24829	0.5
357.24924	0.3
361.25461	0.3
363.26920	0.3
369.24164	0.4
375.27289	0.7
377.28577	0.6
381.27808	0.4
389.28149	0.7
391.26236	1.6
393.27853	0.8
395.29520	0.4
399.23599	0.5
403.26169	0.6
405.26431	39.1
406.26788	5.0
407.29568	3.5
408.30011	0.8
413.30646	0.6
419.29633	1.7
423.28915	2.0
424.29510	0.5
425.30621	3.6
426.31107	0.9
437.30695	1.0
439.32242	0.9
445.32953	0.4
455.31787	0.7
457.33408	1.2
460.18796	0.7
469.29559	0.8
471.30951	0.9
475.34314	0.9
501.32272	0.9
519.33240	100.0
520.21191	0.6
520.33569	17.0
546.37756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3327
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
50.28738	0.5
57.03316	1.9
59.01253	37.7
60.01578	0.8
69.03307	0.7
71.01255	8.4
72.99174	1.7
73.02823	3.6
74.02336	0.9
81.03343	0.6
83.01232	1.3
83.04893	1.5
85.02825	3.9
87.00732	2.0
89.02329	3.0
93.03334	3.4
95.01276	0.8
95.04905	0.6
96.95896	2.5
98.19798	1.8
98.49966	0.6
99.00763	1.1
99.04369	0.7
101.02341	4.7
109.02826	1.8
111.04393	1.4
113.02312	2.4
119.03442	1.1
119.04889	1.9
121.02843	0.7
123.00742	0.6
133.02846	0.8
134.03618	0.9
134.06042	1.1
135.04437	3.3
135.98233	1.3
137.05960	2.2
143.03391	0.9
151.00278	1.5
151.03981	0.6
153.01816	1.0
155.03470	0.8
155.10703	1.0
161.04469	1.5
163.03889	1.9
171.04518	0.8
173.04457	4.2
175.03935	1.2
177.01857	1.0
179.03412	1.5
181.04994	6.1
191.05592	6.7
192.05943	0.7
193.04924	1.1
195.04257	0.6
199.03981	2.1
207.04939	0.8
209.11739	1.2
215.03503	1.3
224.27928	0.6
227.03458	2.4
229.62753	0.7
231.81265	0.6
242.02165	1.1
243.02963	4.2
255.02975	0.9
267.10928	0.6
270.01746	1.4
271.02475	28.4
272.02911	3.0
285.04041	2.1
299.01962	49.5
300.02533	8.0
314.04282	10.2
315.04846	2.8
337.09338	0.6
342.77518	0.6
347.23978	0.8
357.26346	0.8
375.27280	1.9
377.28415	0.9
379.26407	1.1
393.27945	6.6
394.28424	0.9
395.29645	3.5
396.29697	0.8
399.23776	2.3
405.27411	5.7
406.28162	0.9
407.29495	2.5
408.29437	0.7
409.31375	1.3
413.30600	2.4
419.29892	0.7
423.29153	1.3
425.30609	25.9
426.30774	3.5
427.32004	0.8
437.30545	6.5
440.46365	0.7
441.76816	0.7
443.31570	4.9
445.33221	2.5
455.31644	0.8
457.33328	9.2
458.33517	1.2
469.29544	2.4
470.29861	0.9
475.34268	3.0
488.16602	0.6
489.32236	1.0
501.32260	2.4
519.11493	44.3
519.33264	100.0
520.11786	7.7
520.17969	0.6
520.33588	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	519.3175
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01762	0.7
57.03316	1.1
58.00453	1.0
59.01250	26.0
69.03336	1.1
70.76048	1.4
71.01248	12.2
71.04911	0.5
72.99180	1.4
73.02821	3.2
78.95772	1.5
83.01263	2.0
83.04872	0.8
85.02821	6.2
87.00748	1.9
89.02305	4.8
93.03330	2.1
95.01271	1.4
96.95915	0.8
97.06468	0.5
99.00764	1.2
101.02322	7.4
111.00758	0.8
113.02336	4.2
113.93195	0.4
119.03414	1.1
119.04894	0.5
122.05186	0.5
125.02391	0.8
134.03578	0.8
134.05989	0.7
135.04393	1.4
137.02393	0.6
155.03389	0.7
161.02437	0.6
161.04407	0.9
161.69264	0.5
163.03941	0.7
171.10243	0.7
173.04466	2.6
178.02545	0.8
179.03281	0.9
185.11748	1.0
191.05542	5.5
192.05913	0.9
201.01704	0.6
211.13487	0.6
283.13556	0.7
309.24380	2.3
315.01617	0.6
315.25311	0.8
321.24469	0.9
325.23764	0.9
327.25375	7.2
328.25632	1.1
332.56296	0.5
339.21729	1.0
339.25394	10.8
340.25598	0.6
341.26895	1.9
357.26456	22.8
358.26889	2.9
399.14618	0.7
459.29617	1.4
477.30594	1.5
485.23416	0.5
489.30844	1.4
501.30722	0.8
518.59698	0.5
519.31738	100.0
520.32141	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	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.6
59.01249	32.0
59.84624	0.6
61.98683	1.4
62.66526	0.6
63.86919	0.6
67.30126	0.6
67.65264	0.6
69.03320	2.7
71.01250	7.8
71.04883	0.6
71.58208	0.7
72.99194	0.7
73.02811	2.1
73.59660	0.5
76.86567	0.5
78.95776	1.4
83.01237	0.9
83.04894	1.2
83.76517	0.5
85.02818	4.8
85.06499	0.7
87.00748	2.4
89.02312	3.9
93.03336	2.7
95.04885	0.6
96.95912	1.1
97.02853	0.5
99.00751	0.7
101.02318	6.4
105.11876	0.5
109.02802	0.8
111.04362	1.0
112.70668	0.5
113.02317	3.4
119.03371	0.7
123.32162	0.6
125.09557	0.7
127.11176	0.6
133.02853	0.8
135.04451	1.5
137.02350	1.1
155.03461	0.5
161.04434	1.9
167.10674	2.5
173.04440	4.8
173.05853	0.9
179.03407	1.1
179.10706	1.3
179.14325	4.0
191.05519	10.2
195.13844	10.7
205.10472	1.1
205.12242	9.4
207.05164	0.6
209.11800	2.9
223.13338	100.0
224.13684	7.6
235.08211	1.4
253.09265	18.3
253.11890	1.1
271.02283	0.9
283.13416	2.0
310.85379	0.7
315.01486	1.0
327.15848	0.8
459.22473	9.5
459.28964	1.2
460.23074	1.3
504.21063	1.1
519.19745	0.8
519.32440	6.5
520.22815	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	519.1871
Annotation	(-)-Pinoresinol glucoside
Peak:m/z	Relative Intensity
55.01766	0.5
57.03323	2.0
57.27859	0.5
59.01250	25.9
59.73637	0.5
69.03326	0.8
69.71001	3.1
71.01256	15.9
72.99197	1.3
73.02824	3.7
74.02346	4.0
75.00736	0.8
83.01260	1.5
85.02833	7.2
86.03147	0.5
87.00751	4.1
89.02312	4.5
93.03334	4.4
95.01304	0.8
96.95909	2.1
97.06495	0.5
99.00751	2.3
99.04427	0.6
101.02326	6.7
107.01240	0.5
108.02063	1.8
109.02837	1.0
111.04395	0.7
113.02322	6.0
115.00254	5.0
119.03407	1.7
119.04918	1.3
121.02838	4.5
122.03594	2.2
123.00832	0.7
123.04429	1.5
125.02380	0.9
127.03932	0.7
133.02866	1.2
134.03606	1.0
135.04413	2.7
136.01559	72.0
137.02251	2.6
139.00267	0.9
141.09186	0.5
143.03403	0.8
148.04933	0.6
151.03912	100.0
152.04277	5.2
153.01805	0.9
155.03366	0.7
155.10687	0.8
159.02995	0.5
159.04417	1.2
160.01570	0.7
160.05151	1.2
161.02374	3.9
161.04449	3.9
162.03162	1.0
163.03909	2.7
171.02931	0.8
171.04416	0.7
173.02266	0.7
173.04475	5.2
174.03113	0.7
175.02432	10.5
175.03902	1.5
175.07561	1.3
177.01848	1.1
178.99809	0.7
179.03426	1.8
179.05591	0.7
181.04974	1.8
186.03215	0.6
187.03938	0.9
188.04698	0.6
191.05527	15.6
191.06834	0.6
197.09644	2.1
201.01906	0.9
241.01326	1.1
242.02260	0.7
243.02899	1.1
257.00781	0.8
257.11819	0.7
258.01627	1.2
261.00262	0.8
269.00854	1.2
270.01572	0.7
271.02509	1.7
286.01233	0.9
287.01996	1.8
296.10547	0.6
297.00464	1.7
298.01105	0.7
299.02084	1.6
300.02545	0.7
301.10675	2.9
311.12811	1.0
315.01456	2.8
323.07669	0.9
339.12503	0.6
342.11002	4.2
343.10757	1.0
357.13422	90.0
358.13788	10.7
370.08130	0.6
375.27652	0.7
387.19913	0.8
441.14160	0.6
463.09048	0.8
478.26703	0.7
491.08023	0.8
519.08691	3.4
519.15265	4.0
519.23468	5.2
519.31976	2.7
520.08337	1.1
520.15656	0.8
520.27637	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	519.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81633	0.7
55.01758	1.3
57.03319	3.4
58.00473	0.8
59.01249	48.2
60.01561	1.1
65.67141	0.8
65.69569	0.8
68.63342	0.7
68.99686	2.3
69.03310	1.5
69.23505	1.9
69.23914	7.4
71.01254	18.0
72.99170	1.4
73.02821	8.0
75.00740	8.4
78.95750	0.8
81.03346	1.5
83.01250	4.7
83.04873	0.7
85.02817	17.1
87.00733	6.0
89.02306	4.7
91.17090	0.7
93.03324	12.5
95.01256	1.4
96.95870	2.5
97.02822	1.6
99.00759	7.5
101.02333	9.7
109.02831	1.8
109.06478	1.2
111.00776	2.2
111.04407	2.8
113.02317	9.4
113.99474	10.0
115.00228	5.2
117.01846	1.7
119.04935	2.5
121.02868	1.0
121.06473	1.8
123.08058	1.8
127.00276	2.9
127.03931	2.1
129.01826	1.5
135.04422	1.1
135.08083	2.4
136.05200	1.9
137.02330	1.5
137.06047	1.9
137.09637	2.5
139.00281	1.2
139.07494	0.9
141.01764	1.0
143.03416	1.6
149.05991	1.8
151.00284	1.4
155.03400	1.7
155.10680	19.2
156.00603	1.1
157.01315	4.6
157.06465	1.1
161.01932	0.9
161.04501	2.5
163.03966	0.9
169.01343	1.3
169.06470	1.4
173.04466	18.8
174.01605	7.2
175.02412	3.2
182.07298	2.6
185.05910	1.3
191.05534	71.8
191.10692	3.5
192.05966	2.1
195.08144	2.7
195.13791	4.4
197.09645	19.3
198.09944	1.6
199.09641	5.5
209.11725	3.9
211.11247	2.4
213.12823	5.9
221.11737	1.9
223.07684	1.4
227.07140	2.5
239.10907	1.4
239.12851	5.1
241.08640	5.3
241.10820	1.2
245.11998	1.2
257.11816	9.0
271.06116	1.7
283.09772	3.6
283.30014	0.8
301.10779	29.5
302.11160	2.6
313.10773	2.3
345.09818	8.1
353.15906	1.7
371.16995	7.9
372.17462	0.9
413.18341	1.6
433.17249	2.3
459.14993	9.0
460.15204	1.4
475.17914	2.9
501.15851	1.9
519.17072	100.0
520.17310	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	519.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
59.01249	5.6
62.95814	0.2
67.01755	0.6
67.75990	0.2
69.03324	0.4
71.01250	1.9
71.40585	0.2
71.58002	0.3
73.02821	0.8
78.25302	0.2
81.03327	0.6
83.04890	0.4
84.21937	0.2
85.02823	9.6
87.00753	2.2
89.02314	0.6
93.03331	7.9
96.07211	0.2
96.95889	0.8
97.02829	0.3
99.00773	0.3
99.04390	0.4
101.02338	0.6
109.02839	0.9
111.00764	0.7
111.04404	1.3
113.02360	0.7
119.03360	0.2
119.04918	1.3
123.00756	0.3
127.03899	2.0
133.02834	0.3
133.06453	0.2
139.00169	0.2
143.03371	0.4
148.05405	0.2
153.01823	0.3
163.03857	0.3
164.25932	0.2
171.02916	0.8
173.04448	1.8
177.01904	1.5
181.12851	0.2
191.05531	100.0
192.05887	3.5
195.08086	2.7
196.08583	0.2
197.09642	1.0
211.07578	0.5
223.07587	1.6
236.96176	0.2
239.10719	3.9
241.08626	0.3
249.88893	0.2
274.58994	0.2
283.09796	5.8
284.10153	0.7
301.10703	0.3
327.08517	1.6
455.22974	0.2
475.15958	0.4
519.15198	3.4
519.25592	0.7
519.33130	0.3
520.10516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
59.01253	11.1
60.01576	0.3
61.98677	0.2
67.01762	0.4
68.99689	0.3
69.03313	0.4
71.01252	3.0
71.57191	0.3
72.99174	0.4
73.02812	1.1
74.86860	0.2
75.00737	0.3
78.95764	0.3
81.03349	0.5
83.01237	0.4
83.04908	0.7
85.02824	9.5
86.03138	0.3
87.00752	1.9
89.02316	0.8
90.98405	0.2
93.03336	7.9
94.03677	0.4
95.01297	0.5
96.95905	0.6
99.00758	0.5
99.04397	0.5
101.02320	1.4
107.04915	0.3
108.02062	0.3
109.02843	0.9
111.00760	0.9
111.04392	1.3
113.02329	1.0
119.03307	0.3
119.04929	1.6
121.02837	0.8
123.04393	0.3
125.02299	0.4
127.03915	2.4
127.96543	0.2
133.02896	0.3
135.04398	0.5
137.02321	0.7
145.06500	0.6
149.06024	0.4
151.00262	0.7
151.03879	0.2
155.03381	0.4
155.10663	0.3
161.04530	0.3
161.40259	0.2
163.03893	0.8
171.02924	0.9
173.04480	2.7
175.03949	0.3
177.01863	0.6
178.02675	0.2
180.06618	0.4
181.04967	0.4
182.07115	0.3
187.07593	0.2
191.05540	100.0
192.04221	0.4
192.05904	4.2
195.08083	2.8
196.08804	0.3
197.08119	0.2
197.09662	1.4
207.13860	0.2
211.07579	0.5
221.36911	0.2
223.07616	1.1
227.07176	0.3
227.12755	0.3
229.08568	0.4
237.09167	0.4
239.10744	3.9
241.08727	0.4
271.06207	1.1
283.09750	5.0
284.10123	0.6
301.10651	1.0
327.08774	1.2
337.09293	0.2
338.36072	0.2
357.13770	0.2
405.26410	0.3
473.09006	0.2
475.16129	0.5
519.15417	3.1
519.25635	0.4
519.33228	0.6
520.15527	0.5
520.24164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65540	0.3
57.03319	0.5
59.01247	9.7
60.99160	0.6
67.01758	1.2
69.03323	0.7
69.66005	0.6
69.66409	1.8
71.01252	3.9
72.99181	0.8
73.02805	1.6
75.00737	0.5
81.03327	1.0
83.01266	0.6
83.04887	1.9
85.02824	9.7
87.00750	3.5
89.02322	1.3
93.03333	13.2
94.03680	0.4
96.95873	2.1
98.19755	0.6
99.00725	0.4
99.04398	0.7
101.02322	1.5
106.06517	0.4
109.02824	1.0
111.00775	0.5
111.04392	3.0
113.02308	1.3
125.02287	0.3
127.03883	1.9
127.49483	0.3
129.01836	0.6
130.08633	2.3
137.02354	0.6
139.07593	0.5
143.03415	0.5
155.03419	0.6
159.04410	0.4
160.97453	0.4
161.04523	0.5
171.02911	0.5
173.04462	6.7
175.11115	0.4
177.02060	0.4
191.05537	100.0
192.05870	3.6
195.08128	1.1
197.09621	1.4
223.07607	3.6
239.10605	2.0
241.08707	1.4
257.11804	0.7
283.09814	1.9
301.10797	0.6
327.08746	2.9
345.09796	0.4
411.12018	0.6
415.14221	2.2
459.13568	0.5
475.16138	5.9
476.16986	0.9
518.26031	1.2
519.15076	15.3
519.26678	3.1
520.15393	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	519.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78588	0.8
57.03316	1.7
59.01250	62.6
60.01584	1.3
67.01759	3.7
67.02682	0.8
69.03313	2.0
71.01250	11.8
71.57636	1.2
72.99162	1.1
73.02817	4.2
74.02341	1.4
81.03340	1.6
83.01265	1.4
83.04903	1.6
85.02823	12.8
87.00753	3.4
89.02312	3.2
93.03336	32.0
94.03706	0.9
94.10337	0.9
95.01273	1.4
96.95882	2.6
99.00764	1.4
99.04403	1.3
101.02298	4.3
104.69560	0.9
107.01273	0.9
109.02845	2.7
111.00749	2.4
111.04419	5.4
113.02323	4.2
115.00272	1.5
119.04899	4.9
120.99467	0.9
121.02833	1.5
123.00800	1.9
123.04314	1.0
127.03900	2.5
133.02859	1.2
135.04414	2.5
136.01564	7.1
136.41025	0.9
137.02356	6.0
143.03380	1.6
145.01563	0.8
145.02797	1.4
145.06532	1.1
149.02347	1.1
149.05995	3.4
151.00276	2.5
151.03908	11.7
155.03409	6.1
156.93707	0.9
161.02359	1.8
161.04550	1.5
163.03903	1.7
169.06488	3.0
171.04446	0.9
172.01636	1.0
173.04469	65.9
174.03226	1.3
174.04706	2.0
177.01859	1.8
178.99718	2.7
182.07307	5.4
183.07930	1.4
185.02342	1.1
187.03847	1.4
191.05537	100.0
192.05843	2.8
195.08051	5.8
196.08629	1.1
197.09662	45.3
198.10170	3.1
199.03998	1.1
201.01804	1.3
202.02612	2.7
209.11684	1.1
211.07756	1.1
211.11179	4.3
213.12784	9.0
215.03458	2.2
217.01480	1.2
223.07646	2.3
227.10736	2.1
227.12817	1.4
229.01421	2.0
230.02231	1.3
239.10760	4.3
241.01381	2.0
241.08670	8.3
242.02116	2.4
243.02914	2.3
245.11678	2.4
257.00861	3.5
257.11804	21.5
258.01587	3.0
258.12161	2.3
259.02362	1.8
269.00830	2.9
270.01508	1.0
271.02515	5.1
283.09763	4.4
286.01129	3.7
287.01913	6.4
297.00543	5.7
298.01099	2.6
299.01984	3.1
301.10794	64.7
302.11081	5.4
306.49280	0.9
314.00696	3.1
314.04205	1.2
315.01465	18.2
315.04758	1.1
316.01831	1.5
318.40518	0.9
327.08621	2.1
345.09787	22.8
346.10178	1.4
357.13409	8.9
358.13705	1.3
460.56647	1.1
463.08636	1.1
475.16000	2.0
491.08304	3.6
519.07697	12.7
519.15045	33.4
519.23187	2.5
519.31128	4.5
520.08173	3.4
520.15503	5.2
520.23468	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	519.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.7
57.03326	10.7
59.01233	11.7
68.33106	1.5
68.99731	1.5
69.99091	7.8
71.01240	6.1
75.00731	2.9
82.61636	1.6
83.01223	1.5
83.55270	1.3
84.02018	3.0
85.02818	100.0
86.03158	3.1
89.02319	1.8
91.63168	1.5
93.03304	3.0
96.95877	6.6
98.20477	2.3
111.00764	4.2
115.00198	2.0
117.16130	1.6
119.04909	6.8
123.04318	1.7
129.01831	10.3
134.03650	1.5
147.02869	20.9
191.01903	28.7
191.05573	2.7
209.02904	4.3
228.81157	1.6
237.09224	2.2
242.71643	1.5
267.10165	1.8
283.09760	2.4
327.08817	7.2
496.43964	1.6
519.14990	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	519.1143
Annotation	Isorhamnetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
50.25246	0.2
59.00983	0.3
59.01253	2.9
61.98692	0.4
62.36160	0.2
63.02272	0.2
65.00206	0.3
69.46097	1.7
69.95491	0.2
71.01244	0.4
72.99158	0.2
73.00173	0.2
73.02800	0.4
83.01247	0.3
85.02807	0.4
96.95813	0.3
101.02324	0.4
107.01248	1.2
109.02901	0.3
125.02302	0.3
134.06023	0.2
151.00285	2.6
163.00270	0.4
164.01042	0.3
169.01283	0.3
171.04405	0.8
173.04497	0.5
175.03912	0.5
178.99770	0.6
183.04362	0.2
187.03862	0.4
189.01836	0.4
191.05530	0.3
192.00612	0.3
197.02318	0.3
199.03915	4.1
201.01881	1.4
203.03470	0.7
204.04091	0.5
205.04988	0.4
215.03429	4.4
216.03944	0.3
223.06020	0.3
225.01920	0.4
226.02705	1.4
227.03452	4.2
228.03790	0.4
229.01315	0.8
241.01463	0.3
242.02165	9.5
243.02939	41.2
244.03290	3.3
250.38947	0.3
255.02934	1.1
257.04535	11.9
258.04941	1.1
270.01685	10.8
270.04108	0.2
271.02457	45.4
272.02814	3.5
283.02396	0.3
285.04031	23.9
286.04733	8.2
287.05261	0.6
299.01947	10.5
300.02667	7.1
301.03375	0.9
304.35144	0.2
313.03613	0.4
314.04309	44.3
315.04904	9.5
316.05347	0.5
357.05988	1.2
357.15121	0.2
411.30576	0.3
449.49643	0.2
489.32263	0.9
519.11420	100.0
520.11761	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	518.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67547	0.2
59.01243	0.4
67.03007	0.2
67.26331	0.2
70.86649	0.4
70.86988	0.3
78.95774	48.1
96.96840	5.4
110.84749	0.2
150.97911	1.8
152.99486	100.0
153.99854	1.2
171.00539	4.0
178.28438	0.2
277.21536	0.5
301.57541	0.2
431.21997	21.7
432.22281	2.5
518.25104	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	517.3175
Annotation	Jaligonic acid
Peak:m/z	Relative Intensity
56.76127	0.2
59.01097	6.7
59.01433	4.6
69.28548	2.6
71.01085	2.3
71.01534	1.0
72.99030	0.6
72.99365	0.2
73.02643	0.8
73.03091	0.6
83.01124	0.4
83.04741	0.3
85.02644	1.0
87.00597	0.6
87.04227	0.2
89.02121	1.7
93.03149	0.8
95.01132	0.2
95.04704	0.2
96.95766	0.4
97.06284	0.3
99.00591	0.3
101.02122	2.2
101.02827	0.4
109.02680	0.3
111.04286	0.3
113.02091	1.4
113.05836	0.2
115.07352	0.3
119.03155	1.2
119.04662	0.3
121.02649	0.6
133.02705	0.3
134.03383	1.0
135.04173	12.4
135.05316	1.5
136.04608	0.3
137.02148	0.4
137.09468	0.2
139.74525	0.2
143.03209	0.3
160.01306	0.8
161.02103	0.7
161.04225	0.7
162.93950	0.2
173.04427	1.6
175.03917	1.2
177.01570	1.1
178.02000	0.8
178.03531	0.3
179.03416	8.6
179.04906	0.7
180.03481	0.3
189.12576	0.5
191.05539	4.7
191.14331	2.5
193.04822	0.6
207.13617	0.3
297.08875	0.2
323.07571	0.7
337.09283	2.4
338.09402	0.3
341.08466	0.7
343.08142	0.3
355.24844	0.4
381.27853	0.7
393.27896	0.5
395.29843	0.3
397.22195	0.3
409.27359	0.4
411.29099	1.6
423.29034	0.6
441.29996	1.3
443.31641	100.0
444.31989	13.7
458.23914	0.4
473.14362	0.7
473.24472	0.3
475.30484	1.0
487.31119	0.4
517.31647	12.6
518.32037	1.9
535.05762	0.3
543.24963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.7
59.01249	100.0
71.01243	37.8
71.57325	3.7
71.57702	6.5
72.99181	4.4
73.02828	19.4
81.03360	6.4
83.01260	11.4
83.04893	8.7
85.02832	15.7
87.00757	7.8
89.02315	16.0
92.69579	3.5
93.03342	11.5
95.01273	4.5
96.95872	20.0
99.00740	5.3
101.02302	22.9
101.40878	3.6
102.72010	3.6
108.02089	3.8
109.02847	4.5
113.02325	11.9
119.04885	4.6
123.94119	4.0
132.99339	3.5
133.86916	3.9
135.04424	8.3
137.02386	4.0
139.07547	6.4
145.06131	4.3
149.04498	7.4
149.05911	5.3
152.01009	5.5
152.29036	3.8
153.05484	9.5
159.08037	5.0
160.03894	5.0
161.04417	10.2
161.05991	7.5
163.03960	4.5
173.04572	3.8
177.09050	4.7
179.03450	4.6
185.30179	3.8
191.05525	35.9
201.09187	10.5
207.05096	17.1
219.10248	18.0
225.05838	6.4
517.12537	9.5
518.26233	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	517.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	5.5
59.01251	100.0
61.98704	1.7
64.62730	1.5
67.13619	1.8
69.34260	14.3
71.01256	20.6
72.99171	3.2
73.02830	12.3
75.00759	2.2
76.14263	1.6
81.03339	1.7
83.01231	2.9
85.02827	13.0
87.00747	5.0
87.04395	33.0
89.02321	11.5
93.03331	8.3
95.01277	2.5
96.95891	3.7
97.06469	2.1
98.20519	2.4
99.00762	3.1
101.02332	15.2
111.00783	3.1
111.04418	2.6
113.02328	10.6
115.07520	3.4
118.97969	6.5
119.03389	3.1
119.04856	2.2
121.02853	2.4
123.04420	4.5
125.68885	1.6
130.08630	2.7
133.02792	1.8
135.04416	7.9
137.02354	3.0
137.09596	1.7
143.03433	1.7
149.02409	2.9
155.10637	2.9
161.02177	1.4
161.04466	4.3
163.03946	1.8
173.04482	12.8
179.03395	5.8
191.03758	1.7
191.05539	34.8
207.17508	1.9
269.17575	53.4
270.17853	5.2
293.17581	6.4
355.24243	2.2
373.25632	4.5
397.22403	3.7
426.12735	2.0
457.19775	2.4
517.22040	3.1
517.31152	9.3
518.30353	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	517.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77934	2.3
57.03321	7.4
59.01250	70.8
63.00017	2.1
69.03331	6.5
69.35104	23.8
71.01251	46.0
72.99177	6.2
73.02818	41.4
75.00729	3.4
81.03330	7.2
83.01260	13.6
83.04902	4.4
85.02824	34.7
85.49299	2.2
87.00744	21.0
89.02296	15.7
90.64182	2.3
93.03336	7.6
94.57119	2.3
95.01259	5.4
96.95893	8.2
97.02817	7.0
99.00759	11.7
99.04403	7.3
99.56345	2.2
101.02319	40.6
103.00237	2.7
109.02833	22.5
109.06466	4.9
111.04395	4.1
112.68209	2.8
113.02324	17.8
119.03402	6.3
119.04907	22.3
122.03613	6.8
125.02322	3.1
125.05985	6.0
127.03896	10.0
127.07534	4.9
129.01846	10.7
132.02054	2.9
134.03621	16.1
135.04385	10.6
137.05989	32.5
143.03380	5.9
147.08043	2.8
149.04478	3.3
149.05968	7.7
155.03395	2.3
156.50275	2.4
158.80362	2.7
160.01566	18.5
161.04439	6.4
161.91310	2.3
163.03931	8.0
165.07915	2.5
165.09102	13.9
172.10863	2.6
173.04485	6.9
173.06024	10.4
175.03914	28.8
179.03455	3.6
189.03992	21.9
189.09126	31.2
191.05573	40.7
191.07118	3.5
192.04146	2.5
192.05949	2.3
193.04985	17.6
207.05037	100.0
207.10211	28.5
208.05304	2.5
235.05972	6.4
237.06024	6.0
237.09328	2.4
251.09258	4.3
253.10788	9.1
255.10271	2.7
316.30920	2.3
327.08615	4.1
353.08762	2.8
380.40100	2.5
431.15656	7.7
432.16165	2.9
452.40430	3.2
457.17255	3.7
473.15195	17.1
474.15506	3.3
517.13849	43.0
518.13580	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	517.1348
Annotation	CHEBI:66280
Peak:m/z	Relative Intensity
55.01753	0.6
57.03324	2.9
59.01248	10.0
65.03835	2.0
67.01769	0.9
69.03324	1.5
71.01247	7.8
71.22783	0.8
72.99184	3.4
73.02818	8.1
75.00753	0.5
81.03330	7.2
83.01264	1.5
83.04890	1.6
85.02819	20.3
86.03113	0.5
87.00748	6.1
89.02328	1.4
93.03345	2.2
95.01244	2.2
96.95885	2.5
97.02819	2.9
99.00749	4.7
99.04407	3.8
101.02320	12.4
101.02998	0.6
103.00244	2.3
108.02065	2.2
109.02829	23.3
110.03171	0.5
113.02322	1.3
115.03848	0.5
117.01836	1.4
119.04907	23.5
120.05241	1.1
122.03620	0.7
123.00817	0.5
125.02311	2.4
127.03899	10.6
129.01823	11.0
134.03638	1.0
135.04434	3.0
137.05980	1.5
143.03418	0.9
147.02899	0.9
149.06003	0.8
151.00119	0.6
155.03375	0.5
159.04486	0.5
160.01529	1.1
161.04533	0.6
163.03917	8.3
164.04291	0.6
165.09146	0.8
166.02597	0.8
173.04486	2.1
173.05821	0.5
175.03896	1.3
179.03401	1.7
181.05020	0.8
189.02237	1.1
189.03966	22.3
189.09113	1.9
190.04343	0.8
191.05504	6.0
193.05002	1.0
205.12479	0.5
207.05029	100.0
207.10252	2.1
208.05396	3.9
209.11801	1.0
223.07637	2.2
237.09203	2.0
255.10072	0.9
283.09717	1.2
327.08691	1.7
343.08228	0.9
353.08624	2.6
473.14453	11.6
474.14883	1.8
517.13446	42.5
518.13739	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	517.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11066	1.1
59.01252	12.6
61.35093	1.0
69.03306	1.3
69.76173	6.0
71.01259	8.5
72.99180	4.9
73.02813	3.1
75.00734	1.8
81.03322	2.4
83.01274	1.4
83.04904	1.5
85.02831	12.8
85.18617	1.2
87.00747	3.6
89.02324	2.6
93.03336	8.9
94.52148	1.0
95.01201	1.2
96.95882	12.0
99.00755	2.6
99.04396	2.1
101.02325	6.6
103.02765	1.1
104.14432	1.2
108.02039	1.7
109.02834	10.7
111.04369	1.0
113.02317	2.1
114.88786	1.0
117.01849	1.5
119.04906	3.8
127.03891	4.6
129.01840	6.4
135.04416	4.5
143.04900	4.9
144.87889	1.1
145.02858	1.3
149.04416	1.3
152.01025	2.0
163.03891	2.5
171.02901	1.2
171.04417	1.6
173.04436	3.5
179.03435	3.5
189.03986	7.4
191.05536	28.5
192.05788	1.7
193.04906	1.3
207.05038	100.0
208.05342	4.3
209.11806	2.3
211.07657	1.9
237.09221	1.6
255.10144	1.8
265.08786	6.9
270.41913	1.1
289.18747	1.2
305.10614	3.8
309.07584	2.1
327.08728	22.9
328.08823	2.5
337.09518	2.2
517.13269	21.7
517.19659	2.6
518.14014	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	516.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	1.1
57.03326	15.3
58.00456	0.9
59.01250	100.0
60.01577	1.5
61.98701	1.6
67.01733	1.2
69.03315	2.2
70.91274	1.2
70.91610	2.1
71.01256	14.8
71.04892	19.2
72.99161	1.2
73.02833	6.2
74.02358	1.2
81.03331	2.3
83.01251	1.7
83.04881	4.2
84.04408	4.3
85.02819	9.5
85.06464	1.7
87.00735	3.0
89.02306	7.8
93.03336	5.5
95.01293	2.2
95.04914	2.4
96.95884	6.3
97.06470	4.0
98.02365	1.2
99.00734	1.6
99.04383	1.9
101.02322	7.3
109.02829	2.5
109.06428	1.9
111.00732	1.1
111.04400	3.5
111.08042	1.1
113.02342	5.6
113.05970	16.5
113.09552	1.0
115.07528	0.9
116.92829	1.4
118.98024	1.1
119.03368	2.7
119.04832	1.2
121.02828	2.1
123.04424	1.3
125.02297	2.0
127.03880	1.8
127.07517	1.1
128.03415	9.1
131.07002	3.7
132.04489	1.2
133.02867	1.2
134.03619	1.8
134.06003	2.8
135.04411	10.3
135.08022	1.3
136.04726	1.4
137.02333	2.6
137.09634	2.2
138.09106	2.2
139.03883	1.0
139.11174	2.7
140.10699	6.7
143.03395	2.1
143.10706	1.2
147.04378	1.8
148.05185	14.3
149.02357	2.6
149.05695	1.3
151.00386	1.1
151.07510	1.2
153.57349	1.0
154.04941	1.1
155.10643	1.4
156.10205	18.5
161.04454	3.1
161.05835	0.9
165.01840	1.5
166.02582	1.3
173.04462	10.1
174.04765	1.0
177.01855	1.2
178.05025	11.6
179.03407	5.4
179.05426	2.0
180.03654	1.1
180.35617	0.9
181.12181	1.3
183.10214	6.4
190.05038	4.9
191.05536	26.7
195.13844	3.7
199.13356	2.4
200.09218	7.8
201.11293	1.1
207.05035	4.4
210.80566	1.0
213.14983	1.5
217.10786	2.8
226.10614	1.2
241.10841	1.3
242.10260	1.9
243.12332	16.8
255.16089	1.1
259.11734	2.4
261.13364	2.5
273.17184	5.6
274.17563	1.1
286.16757	1.3
297.10040	4.3
300.02731	2.0
312.12393	33.6
313.03439	1.4
313.12964	5.0
315.18140	18.4
316.18552	2.4
331.17429	1.3
340.21240	4.1
352.13736	1.9
354.09119	2.9
355.24503	1.1
358.22488	2.2
373.25995	1.0
375.87411	1.0
402.21213	7.3
403.21582	1.1
412.15851	1.1
454.28036	1.0
472.29337	2.6
516.28119	90.1
517.09412	1.5
517.28796	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	516.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.5
59.01250	13.2
61.48787	0.4
61.98690	0.6
67.54774	0.3
67.72919	0.3
69.03331	0.4
71.01262	2.7
71.04893	0.9
71.58279	0.7
72.99170	0.5
73.02807	0.9
74.02320	0.5
79.95609	0.4
81.03316	1.3
83.01248	0.6
83.04895	3.6
85.02804	1.2
85.10603	0.4
87.00745	0.8
89.02308	0.9
93.03338	1.9
95.04926	0.4
96.95888	1.6
97.06477	1.0
101.02307	1.7
101.05983	0.5
106.33859	0.3
108.01994	0.3
109.02829	0.7
111.04432	0.5
113.02341	0.8
113.05943	0.9
115.00308	0.4
117.00005	0.4
119.03393	0.7
119.04946	0.5
121.02836	0.4
124.01516	0.5
125.02371	0.4
125.05935	0.4
125.39408	0.3
128.03387	0.5
133.02853	1.2
133.05228	1.7
134.03630	3.5
135.04417	12.7
136.03828	0.4
136.04770	0.9
136.07613	0.7
137.02391	0.6
145.05005	0.7
147.04419	2.0
148.05200	39.3
149.05923	2.6
150.03136	0.5
155.10616	0.5
156.10222	0.6
161.02321	0.9
171.05347	0.3
173.04378	1.8
175.02493	0.5
175.03925	0.5
176.03436	3.8
177.04160	1.5
178.05013	28.7
179.03403	1.1
179.05365	1.2
181.12227	0.5
190.03441	0.7
190.05029	9.1
191.05544	6.1
192.05966	0.7
200.09169	0.4
207.05083	0.4
225.11246	0.6
227.12753	0.4
239.07108	0.3
243.12328	2.7
253.08774	1.8
256.48743	0.4
270.11475	0.5
272.41046	0.3
273.17053	0.5
280.11810	0.4
280.14932	0.4
296.09335	0.6
297.10068	12.2
298.10532	1.2
312.12396	100.0
313.12732	9.8
315.18073	1.0
324.05975	0.4
354.19464	0.8
372.64197	0.4
456.16577	0.6
474.17636	1.2
516.18512	4.8
516.26874	3.5
517.19116	0.9
517.29095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56335	0.1
55.01752	0.2
57.03328	0.1
58.00478	0.2
58.07331	0.1
59.01245	5.7
65.05384	0.1
68.02351	0.1
68.44178	0.1
69.03337	0.1
69.28032	0.3
69.28464	0.3
71.01248	4.1
72.77798	0.1
72.99190	0.2
73.02815	0.9
75.00737	0.1
83.01246	0.5
83.04888	0.1
85.02818	0.9
85.68726	0.1
86.00032	0.1
87.00748	0.4
89.02312	3.5
91.03909	0.2
95.01257	0.3
97.02833	0.3
99.00768	0.3
101.02317	4.1
102.02731	0.1
103.03909	0.1
113.02323	1.8
115.03922	0.1
119.03372	1.1
125.02314	0.1
131.03394	0.2
133.04973	0.3
136.86601	0.1
143.03413	0.3
145.04955	0.1
149.04459	0.1
157.04962	0.1
161.04443	1.6
179.05521	0.5
215.85696	0.1
235.08176	1.0
253.09256	13.6
254.09601	0.6
261.22116	0.4
279.23264	100.0
280.23608	10.3
336.05121	0.1
377.66269	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	515.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.3
57.03312	0.2
58.00478	0.2
59.01249	5.1
70.19641	0.5
71.01254	4.3
72.99188	0.4
73.02818	1.0
75.00739	0.3
76.33465	0.1
78.95763	0.3
83.01277	0.6
84.56207	0.1
85.02826	0.9
87.00766	0.6
89.02320	3.4
91.03906	0.1
94.31796	0.1
95.01247	0.4
97.02842	0.2
98.19859	0.1
99.00769	0.3
101.01685	0.3
101.02323	3.9
113.02329	1.9
119.03394	0.9
122.90183	0.1
125.02367	0.2
131.03429	0.2
132.62756	0.1
133.04930	0.3
143.03436	0.3
151.19125	0.1
152.99474	0.4
161.04485	1.5
174.37221	0.1
179.05583	0.4
235.08197	0.7
253.09262	14.3
254.09634	0.6
261.22318	0.3
271.69009	0.1
279.23279	100.0
280.23624	9.2
413.16837	0.1
509.76077	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	515.1197
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
50.87904	0.4
57.03316	1.6
57.91707	0.5
59.01248	16.3
61.98710	0.6
67.01756	3.8
68.41946	0.4
69.03323	1.4
69.55547	3.6
69.56116	0.4
71.01254	5.1
72.99161	0.8
73.02825	1.6
81.03298	0.9
82.02890	0.5
83.01257	0.9
83.04891	1.6
85.02816	5.4
87.00760	2.0
89.02332	1.7
93.03331	26.4
94.03706	1.1
95.04897	0.5
96.95879	1.3
98.20515	1.0
99.00788	1.1
99.04382	0.9
101.02306	1.6
108.02061	1.2
109.02814	2.3
111.00761	0.8
111.04392	6.2
113.02342	1.7
115.08650	0.8
115.87585	0.5
119.04877	0.8
121.02846	0.7
122.06019	0.7
127.03898	1.5
127.05016	0.8
128.03409	0.6
133.02858	2.1
134.03625	3.4
134.06042	0.7
135.04407	66.5
136.04750	3.6
137.02362	5.4
137.03325	0.8
141.00888	0.4
147.04395	0.6
148.05211	5.2
149.05988	0.7
152.07109	0.6
153.01784	0.7
155.03384	5.2
156.10248	0.9
157.09703	3.9
159.50986	0.5
160.03905	0.6
161.02380	5.3
161.04451	0.6
173.04463	100.0
174.04747	4.2
174.60970	0.5
175.03998	0.5
176.03442	0.5
177.04257	0.6
178.04996	3.1
179.03409	66.7
179.33598	0.5
180.03755	3.5
190.05019	1.5
191.05528	42.4
192.05847	1.8
203.03427	3.5
207.05043	2.1
217.14284	0.6
225.11374	0.6
253.04892	0.7
255.06465	0.7
297.10120	1.1
299.05554	1.6
310.17697	0.7
312.12396	12.4
317.06546	0.9
335.07492	0.6
353.08740	97.8
354.09094	10.4
369.07965	0.6
406.89410	0.5
471.17975	0.9
514.25635	0.6
515.11682	5.1
515.20178	0.9
516.12335	0.8
516.28003	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	514.324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02160	0.2
59.01250	4.4
61.98700	100.0
69.28857	2.2
71.01256	1.1
73.02801	0.9
83.04928	0.3
85.02819	0.9
87.00745	0.3
89.02350	0.3
89.86658	0.2
90.93243	0.3
92.92184	0.2
93.03345	0.9
96.95887	2.2
97.06463	0.3
101.02345	0.7
106.77016	0.2
108.02055	0.8
109.02848	1.1
111.04413	0.3
122.06025	0.3
135.04445	0.4
148.50067	0.2
152.01088	1.0
153.01706	0.7
154.02260	0.4
173.04512	0.7
179.03391	0.4
191.05511	3.4
207.05124	0.7
251.02049	0.2
251.07133	0.4
279.06763	0.3
279.92194	0.2
303.09116	0.5
317.16040	0.3
323.05771	1.6
408.51660	0.3
452.33313	0.5
453.33167	1.4
454.33780	2.3
514.16425	2.1
515.17920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.3
58.00467	0.2
59.01247	5.8
59.26716	0.2
65.41126	0.2
67.51105	0.2
69.82209	0.2
71.01257	4.4
71.12727	0.3
71.13062	0.3
73.02810	1.0
83.01257	0.4
83.04881	0.3
84.59016	0.2
85.02831	1.1
87.00758	0.4
89.02307	3.6
91.03876	0.4
95.01266	0.4
99.00754	0.2
101.02316	4.0
108.94676	0.2
113.02324	1.9
119.03365	1.4
125.02311	0.3
131.03384	0.2
133.04956	0.4
161.04456	1.8
165.62305	0.2
179.05501	0.6
183.02486	0.2
233.22766	0.3
235.08087	1.1
242.73083	0.2
253.09261	15.5
254.09628	0.9
259.20651	0.4
275.20059	0.4
277.21710	100.0
278.22070	10.1
381.86563	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
55.02591	0.0
57.03318	0.2
58.00458	0.3
59.01247	7.1
60.01582	0.1
69.03329	0.1
70.18851	0.1
70.19247	0.1
71.01250	5.2
72.01601	0.1
72.99173	0.4
73.02429	0.1
73.02814	1.1
75.00748	0.1
78.95745	0.0
81.03328	0.1
81.79697	0.0
83.01254	0.7
83.04904	0.2
85.02820	1.3
85.99977	0.1
87.00748	0.7
89.02312	3.7
91.03873	0.2
95.01265	0.4
97.02841	0.2
97.06462	0.1
99.00763	0.3
99.04414	0.1
101.02316	4.6
102.02656	0.1
103.03878	0.1
111.00738	0.0
112.01505	0.1
113.02326	2.1
113.05991	0.1
114.02666	0.1
115.03880	0.1
119.03380	1.1
120.39274	0.0
125.02319	0.2
127.07555	0.2
131.03394	0.2
133.04968	0.4
141.09129	0.1
143.03413	0.4
145.04887	0.1
149.04510	0.1
155.14197	0.1
157.04974	0.2
161.04460	2.0
162.04785	0.1
163.38719	0.1
179.05540	0.6
182.13106	0.1
187.06111	0.1
197.11826	0.1
202.33344	0.0
205.19502	0.1
229.12253	0.0
233.22754	0.4
235.08167	1.0
236.08693	0.1
253.09259	16.6
254.09624	1.0
259.20584	0.3
275.20148	0.4
277.21704	100.0
278.22046	10.3
291.22659	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	513.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98704	1.1
54.78197	1.3
57.03308	3.0
58.00492	1.2
59.01254	50.1
59.56429	0.8
61.98694	2.1
62.34706	1.0
69.03313	3.8
70.91673	2.8
71.01256	22.8
71.04897	1.2
72.99160	2.3
73.02823	8.3
74.02375	2.6
75.00704	1.0
78.95770	1.4
81.03322	2.0
83.01248	3.0
83.04889	2.6
85.02823	10.9
87.00729	2.3
87.04373	3.1
89.02335	6.6
89.05957	2.4
93.03329	10.6
95.01259	3.4
96.95892	10.7
97.02821	4.5
97.06462	1.9
99.04394	2.0
101.02324	9.4
101.05943	1.2
105.03350	1.3
107.04904	1.0
108.02058	2.1
109.02834	3.7
111.00741	1.2
111.04379	2.4
113.02326	6.4
119.03358	2.6
119.04907	2.2
121.02841	8.4
123.00780	9.1
123.04448	1.2
124.01571	17.7
125.02346	40.6
125.05979	1.4
128.03510	1.2
129.01807	1.8
129.05460	1.5
134.03645	1.5
135.04399	4.4
135.08037	5.4
136.03789	1.1
137.02344	5.1
137.05876	1.2
137.09691	2.3
140.10706	2.5
147.00696	1.2
149.02306	2.1
149.99506	26.1
150.06743	1.6
151.00204	2.5
151.07503	1.1
153.01826	1.4
155.03410	2.3
155.10678	10.2
161.02332	2.2
161.04419	1.7
165.01804	4.3
167.03375	2.5
168.00563	56.8
169.01326	10.2
173.04460	14.0
177.01826	1.5
178.02454	1.5
179.03473	2.9
179.10605	1.8
180.06567	2.8
191.05553	26.5
191.10544	1.3
199.09679	3.4
201.11179	3.2
207.05000	3.2
213.14885	2.7
217.10684	3.0
237.07649	3.9
245.06305	1.8
267.06976	1.7
275.09131	2.5
277.63574	1.2
288.18222	1.3
351.06714	1.1
351.21716	1.8
381.11877	2.6
409.14929	1.7
423.13339	1.4
425.12601	5.5
433.23505	2.2
439.22879	2.0
481.13330	1.2
495.29626	2.1
513.15985	100.0
513.27661	8.1
514.16217	13.6
514.26367	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	511.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
57.03329	0.3
58.00490	0.3
59.01249	10.7
71.01253	5.9
71.57577	0.2
72.99198	0.4
73.02811	1.1
75.00784	0.2
81.03344	0.2
83.01248	0.8
83.04915	0.6
83.81620	0.1
85.02825	1.5
87.00762	0.5
89.02315	4.9
91.03899	0.3
95.01285	0.4
97.02831	0.2
99.00770	0.3
101.02321	5.9
113.02325	2.6
119.03394	1.4
121.10093	0.2
131.03386	0.2
133.04994	0.4
143.03407	0.5
161.04462	2.2
177.16382	0.9
179.05525	0.8
203.18010	0.4
231.21124	3.7
232.21394	0.3
235.08113	1.2
253.09265	21.9
254.09651	1.1
257.19092	0.6
273.18506	0.2
275.20139	100.0
276.20496	9.5
276.23590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91592	0.3
59.01246	1.9
62.05769	0.4
71.01280	0.5
71.57761	0.5
72.72931	0.3
80.02540	1.4
81.03303	1.8
83.01266	0.6
83.04892	6.1
84.02016	1.2
93.03336	1.3
95.04897	1.6
97.06477	0.9
109.06490	0.9
111.04389	0.7
123.08015	0.7
125.05894	0.4
125.09631	2.9
127.11119	0.5
135.08020	1.2
149.09624	0.9
156.47081	0.4
163.11185	4.5
165.12717	2.2
171.10173	28.8
172.10547	1.6
173.04393	0.7
181.12251	0.6
185.11839	2.2
185.13182	0.4
191.05582	0.8
191.08968	0.4
191.10698	0.9
197.11795	0.6
203.10715	0.5
203.14352	0.7
207.10204	0.7
209.11760	100.0
210.12114	5.2
211.13406	0.5
221.11745	1.7
223.13307	1.1
225.11165	0.8
227.12827	10.1
229.12292	0.9
231.13760	0.7
239.12720	0.5
247.13351	10.1
247.15825	0.8
248.13605	0.5
249.14890	0.4
265.14404	3.1
321.17017	0.7
331.22839	0.7
357.20627	0.7
375.21182	2.1
375.25748	0.8
383.22296	0.6
401.23352	1.3
419.24387	1.2
431.24451	0.7
437.25269	1.1
449.25626	2.9
450.26535	0.4
457.25861	0.7
475.26917	2.6
493.27985	2.5
511.29120	3.6
512.29230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13473	0.3
53.54086	0.3
57.03320	0.3
59.01250	1.7
69.03308	0.3
71.01252	0.8
71.04886	0.6
71.57438	0.5
80.02536	1.5
81.03329	1.8
83.01247	0.4
83.04391	0.4
83.04893	7.2
84.02037	1.1
85.02799	0.3
87.00741	0.4
93.03313	1.6
95.04893	1.6
96.95912	0.3
97.02826	0.4
97.06467	1.1
101.02248	0.3
107.04961	0.3
109.06456	1.0
111.04405	0.8
122.21468	0.3
123.08057	0.9
125.05965	0.6
125.09615	2.8
127.11127	0.4
133.02855	0.3
135.04453	0.4
135.08037	1.7
149.09639	1.0
163.11220	4.7
165.12762	2.7
171.10173	31.3
172.10559	1.4
173.04483	0.5
177.12857	0.4
181.12236	0.6
185.11739	1.7
185.13150	0.4
191.05559	1.1
191.10713	1.9
197.11790	0.4
199.13257	0.6
203.14359	1.1
205.12340	0.4
207.10219	0.8
209.11761	100.0
210.12102	6.9
211.13425	0.3
219.13867	0.4
221.11826	1.6
221.15401	0.3
223.13327	1.7
225.11288	0.7
227.12852	10.2
228.13232	0.7
229.12302	0.8
231.13832	0.6
235.13445	0.4
237.14969	0.5
247.13361	9.8
248.13744	0.7
249.14912	0.5
265.14389	3.1
275.20145	0.4
321.16965	0.8
331.22852	0.5
357.20532	0.8
375.21631	1.5
375.25623	1.1
383.22336	0.3
393.26978	0.3
401.23215	1.3
419.24045	1.4
420.24435	0.3
423.51639	0.3
431.24310	0.8
437.25638	0.8
449.25320	2.5
457.25705	0.4
475.27023	4.5
476.27710	0.7
493.28043	2.5
511.29187	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	511.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.2
57.03327	1.4
59.01250	9.0
59.03551	0.9
61.98686	1.0
65.43490	0.8
66.22146	0.8
69.03318	2.3
71.01241	3.1
71.04877	1.1
73.02815	1.7
78.95776	12.0
80.03491	0.8
81.03350	1.7
83.01218	0.7
83.04910	5.0
85.02811	1.5
92.50123	0.7
93.03318	3.2
93.39190	0.8
95.04901	1.1
96.95885	2.3
97.06439	2.0
99.08035	9.1
101.02323	1.7
109.02828	1.3
110.98416	9.0
111.04397	1.7
121.10131	1.4
125.02367	0.9
125.09633	4.6
133.02827	2.2
134.03583	1.8
135.04375	2.4
137.02351	1.4
137.09576	1.9
137.77809	0.9
141.62196	0.8
148.05214	0.8
151.00209	1.0
151.07538	0.9
152.99390	0.8
153.09065	0.9
154.12238	0.8
155.10698	1.3
161.02443	0.9
163.07587	0.9
163.11165	1.6
165.12758	1.7
167.01039	3.0
171.10187	34.5
172.10521	1.3
173.04419	3.5
177.01808	1.0
178.02631	3.5
185.02144	8.8
185.11772	2.0
191.05547	4.5
193.12276	18.9
194.12636	1.3
197.15427	1.1
209.11771	37.5
210.12057	1.9
211.13341	5.6
223.13266	1.4
225.11440	1.3
225.14911	22.8
226.15294	2.2
227.12929	5.0
243.15962	7.1
247.13402	4.0
265.14371	1.3
293.21259	2.7
325.23639	1.6
333.01840	0.9
343.24869	100.0
344.25220	8.8
375.25323	1.0
401.23306	1.3
449.25458	1.1
475.26913	1.4
496.58673	0.9
511.18933	2.1
511.26700	44.0
512.26990	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	511.268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50714	1.2
57.03302	1.7
59.01248	14.5
61.98705	1.9
69.03316	2.5
70.97910	2.6
70.98254	1.4
71.01241	4.8
73.02824	2.2
78.95772	12.5
80.02554	1.7
81.03328	2.5
83.04881	5.7
85.02818	2.7
89.02309	1.3
91.88162	1.2
93.03330	5.9
96.33913	1.3
96.95882	3.1
97.06464	3.4
99.08035	11.9
101.02303	2.0
110.97721	1.1
110.98392	8.1
111.04398	2.3
113.02257	1.4
119.50244	1.2
121.10120	1.3
125.09656	6.1
127.11189	1.0
130.65910	1.3
133.02824	4.5
134.03619	2.8
135.04420	2.6
135.07956	1.7
137.02353	2.9
137.09630	2.9
139.11209	1.7
143.62169	1.2
148.05219	1.6
151.07513	1.7
163.11227	3.8
165.12700	2.4
167.01009	3.8
171.10179	34.7
173.04474	7.2
173.05768	1.2
175.11284	1.4
177.01793	2.0
177.09131	1.5
178.02583	5.0
185.02144	8.3
185.11740	2.5
191.05554	10.2
193.12294	20.0
209.11771	75.3
210.12131	4.8
211.13286	5.6
223.13322	1.6
225.14897	23.2
227.12834	7.9
238.28828	1.3
238.33688	1.5
243.16010	7.9
247.13370	6.7
265.14468	3.5
293.21170	2.6
317.30341	1.3
325.23734	1.4
343.24878	100.0
344.25281	10.8
375.25500	1.8
449.25287	2.7
475.26959	2.9
493.28094	2.0
511.26776	45.5
512.27203	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	511.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.5
57.03325	1.0
58.00476	0.6
59.01250	9.2
59.20620	0.3
59.82278	0.3
61.98695	0.9
69.03330	0.7
71.01255	3.6
71.19233	1.0
72.00864	0.4
73.02813	2.7
75.00717	0.4
80.02534	0.4
80.96358	0.4
81.03316	0.6
83.01279	0.6
83.04915	0.6
85.02829	1.8
87.00758	0.6
87.04389	6.8
89.02315	2.1
93.03331	1.1
95.01285	0.6
96.95892	2.0
97.02839	1.2
99.00745	0.5
99.04402	0.7
101.02323	3.3
108.02049	32.5
109.02309	0.7
109.02925	0.6
111.04398	0.6
111.08054	0.6
113.02332	0.7
119.04867	0.5
121.02750	0.5
121.06475	0.4
123.00784	2.1
123.04404	13.1
123.05293	0.8
123.08025	0.4
124.01563	1.5
124.04731	0.5
125.02345	5.7
134.99959	0.3
135.04445	0.9
135.08064	0.8
137.02339	1.4
137.05975	0.6
137.09621	4.6
139.00255	2.0
139.07507	1.1
139.11198	0.5
141.80888	0.4
142.32845	0.3
146.71536	0.4
149.04471	1.7
149.09586	0.7
149.99516	1.4
151.07578	0.5
151.11211	0.7
152.01054	72.1
153.01413	2.8
155.10680	25.6
156.11035	1.6
163.03862	0.5
163.07591	0.4
163.11194	0.6
165.05508	0.4
167.03409	100.0
168.00565	4.4
168.03723	4.5
169.01169	0.6
169.12184	1.3
173.04459	0.7
177.09058	0.5
179.03415	0.5
179.10678	2.4
180.06584	0.8
181.07179	0.6
181.08533	2.4
181.12151	0.5
191.05521	2.3
191.10684	1.7
193.12213	0.6
195.10201	1.5
199.09689	30.2
200.10011	1.8
213.11240	1.3
223.09663	0.9
225.11397	0.7
237.11197	0.6
241.10764	8.8
253.10777	3.0
254.11333	0.5
255.12325	1.5
262.04999	1.8
283.11856	15.5
284.12140	1.2
289.18158	0.5
333.46567	0.5
343.10187	0.5
343.14023	6.2
344.13937	0.6
387.41187	0.4
427.07932	0.5
447.14700	0.4
467.19525	0.7
474.78421	0.4
511.13733	6.5
511.29227	0.5
511.36023	0.5
512.15063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.4
57.03312	2.7
59.01249	24.7
61.07463	1.1
61.98698	3.1
69.03342	1.9
71.01257	10.8
71.57602	1.8
72.99182	4.6
73.02817	6.9
78.95769	2.1
79.95603	1.5
83.01219	1.5
83.04896	1.8
84.33466	1.0
85.02829	8.1
87.00748	3.6
87.04391	15.2
87.80640	1.0
89.02335	2.9
91.89451	1.2
93.03323	4.2
95.01265	1.5
95.04903	5.8
96.95879	13.7
97.02839	2.8
99.00764	2.0
101.02316	5.2
102.13375	1.2
105.03434	1.2
107.04877	1.5
108.02049	1.8
109.02846	3.1
111.04333	2.0
113.02319	3.5
118.89545	1.3
119.03393	1.3
119.04863	1.7
121.02821	2.2
123.04408	76.6
124.04742	3.1
125.02351	1.1
134.05969	1.5
135.04442	5.0
135.08038	3.6
137.02357	1.6
137.09615	16.4
139.03891	4.7
139.07516	2.2
139.11154	2.0
149.02345	17.6
149.06067	1.4
150.03143	1.1
151.03812	1.3
151.11185	2.1
152.01006	2.8
153.01826	1.6
155.10684	61.1
156.11035	2.9
161.04471	2.1
161.09578	1.1
163.03886	1.5
167.03421	17.5
169.12265	3.0
173.04427	3.3
179.03398	3.3
179.10689	4.2
180.06583	4.7
181.07008	2.3
181.08650	5.4
181.12323	1.2
181.75139	1.2
191.05554	8.2
191.10732	2.8
192.05901	1.9
195.10201	2.7
199.09683	28.3
200.10013	1.6
207.05037	6.6
209.11836	1.5
213.11275	4.6
223.09702	1.8
223.98740	1.2
225.11195	1.4
241.10776	9.0
242.11145	1.5
255.12451	2.3
283.11841	9.1
289.11090	3.0
343.13950	3.6
431.18854	4.5
433.40521	1.3
439.12900	1.7
451.22665	1.5
467.19455	3.0
511.18179	100.0
512.18604	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	509.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.4
60.27657	0.4
62.91172	0.4
74.12412	0.4
78.95773	19.9
96.96839	1.6
98.19798	1.3
103.25330	0.4
150.30217	0.4
150.97978	0.5
152.99486	31.4
153.99817	0.9
171.00578	1.4
209.83975	0.4
224.06834	0.6
227.03279	4.1
229.36754	0.6
245.04247	2.0
249.10808	0.4
251.87479	0.4
281.24835	100.0
282.25208	10.5
283.26324	2.3
284.26736	4.3
509.28745	51.9
510.29047	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	511.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.4
57.31360	0.8
58.00474	1.7
59.01250	17.9
68.99706	0.9
69.03328	1.8
70.98081	1.6
70.98434	0.7
71.01250	9.3
72.99179	1.4
73.02821	7.1
80.94177	0.8
81.03310	1.0
83.01277	1.0
83.04900	2.4
85.02814	8.5
87.00742	1.6
87.04388	20.7
93.03338	1.3
95.01273	1.2
95.04913	1.5
96.95892	3.0
97.02834	3.5
97.06494	1.5
99.04409	4.6
100.62798	0.8
101.02307	5.3
108.02061	9.6
109.02843	7.7
109.06471	1.5
111.04367	1.1
111.08007	1.4
113.02342	4.1
119.04898	2.4
121.02891	2.3
121.06454	1.0
122.03621	29.3
123.04420	37.3
123.08049	0.9
125.02353	2.6
125.05961	1.5
127.07506	1.1
135.04399	1.2
135.08070	4.8
137.02336	6.4
137.06018	1.7
137.09625	22.2
139.07550	4.0
139.11191	1.6
145.91644	0.9
149.02377	1.8
149.05980	1.2
149.09631	1.3
151.07611	0.9
151.11188	2.8
155.10680	100.0
156.11040	3.7
161.04503	0.8
163.03911	1.0
163.07607	1.4
163.11226	2.5
167.10710	2.6
169.12285	3.7
177.09059	1.4
179.10666	8.6
181.08604	9.2
181.12315	1.1
191.05565	1.4
191.10669	5.7
193.12245	1.2
194.13857	0.8
195.10207	6.2
199.09691	47.8
200.10117	1.8
213.11255	2.5
223.09731	2.0
225.11368	1.9
237.11302	1.1
241.10799	11.4
253.10793	3.7
255.12392	3.3
283.11920	19.4
284.12173	0.9
343.13879	2.7
366.34857	0.9
380.66522	0.9
467.19199	78.2
468.19577	10.6
493.16937	3.2
511.18262	55.6
512.18512	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	509.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
57.03314	2.4
59.01251	36.6
64.55431	0.7
71.01254	12.1
71.57348	1.2
72.99191	1.4
73.02825	3.4
74.98966	1.0
75.00757	1.4
80.61945	0.7
80.96394	2.2
83.01258	1.7
83.04894	1.3
85.02836	4.4
87.00758	1.8
87.04395	1.2
89.02322	5.8
93.03352	1.0
95.04916	0.8
95.67567	0.9
96.95893	4.3
98.01117	0.8
99.04426	1.0
101.02336	9.3
109.06451	0.7
111.00739	1.2
113.02355	4.5
119.03377	2.1
120.99580	1.3
121.04934	4.9
122.06004	3.3
124.53542	0.7
132.04436	2.0
134.06020	1.1
135.04459	0.9
137.09622	1.1
139.11182	28.9
140.11539	1.2
143.03413	0.9
152.07091	7.3
153.01820	0.9
155.10687	2.7
161.04483	1.7
162.05580	0.8
163.11168	0.8
163.86461	0.8
165.04318	1.1
165.09102	1.0
169.12242	7.6
173.04503	0.8
175.54471	0.9
179.10663	1.0
180.06567	2.1
181.12285	6.6
183.10188	35.2
184.10553	1.9
191.05560	4.4
197.11748	10.1
199.09666	1.3
212.99036	0.8
222.53551	0.9
225.11272	7.1
243.12416	1.8
253.09499	0.9
257.12735	1.7
265.09323	1.8
267.11594	1.1
268.12213	0.8
269.12985	1.0
278.90350	0.9
282.12390	0.8
283.10391	1.4
285.12372	3.7
305.23438	1.4
312.12503	3.0
320.36014	0.9
422.20654	1.7
449.20346	2.2
449.27676	3.8
466.19754	14.8
467.28531	1.4
477.19778	7.2
491.21259	4.9
509.22482	100.0
510.16852	1.0
510.22873	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	509.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12045	1.5
57.03321	35.2
59.00988	2.3
59.01251	34.4
65.45237	1.5
71.01261	7.4
71.21510	3.5
72.99167	3.5
73.02808	4.5
74.98956	2.0
80.96379	3.2
82.02856	2.8
85.02838	1.6
89.02336	3.2
93.03316	3.3
96.95885	3.9
99.04396	23.6
101.02321	10.9
113.02338	1.8
119.04930	1.9
123.04411	1.6
125.02316	6.5
136.87357	1.6
137.02377	2.6
145.07616	61.7
146.07971	2.4
161.04486	13.1
163.04031	2.4
170.07140	2.8
181.04985	3.1
188.08232	38.9
189.08511	1.8
206.50401	1.6
214.09810	30.6
215.10139	2.3
229.01390	1.8
253.09184	2.1
256.10916	17.8
268.11005	2.3
273.17007	10.8
275.95859	1.5
286.12015	2.0
304.13016	26.4
305.10861	1.7
322.14059	100.0
323.14355	7.5
347.24301	1.9
365.14786	3.9
372.45343	1.8
418.65402	2.1
444.46164	1.7
509.09875	4.3
509.17001	4.4
509.29660	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	508.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.3
59.01245	3.6
59.02276	0.4
69.03307	0.7
69.79211	1.1
69.79623	2.4
71.01247	1.1
78.95771	11.1
82.89039	0.5
83.04893	1.6
84.02041	0.6
93.03355	0.7
95.04885	0.5
96.95898	1.1
97.02837	0.5
97.06458	1.0
99.08026	2.2
109.06458	0.8
111.04442	0.6
111.08022	0.7
113.02284	0.5
113.09609	2.3
121.10079	0.6
123.08031	0.5
125.09618	0.9
129.09122	3.6
134.03664	0.5
135.04439	0.8
137.09543	0.6
139.11154	2.6
140.01067	4.8
147.10373	0.5
151.11136	0.8
152.99493	1.1
153.12776	0.7
155.10724	0.5
163.11203	1.4
165.12823	0.8
169.12268	2.0
171.10168	8.5
171.11610	0.6
172.05237	0.5
173.04387	0.5
181.12213	3.2
182.13002	0.5
183.13829	2.2
185.11771	1.0
189.09207	0.7
191.05566	0.7
193.12305	3.4
196.03719	2.4
197.11766	7.0
199.13359	3.4
201.11214	1.5
207.10205	1.4
209.11761	5.7
211.13316	13.7
212.13626	0.8
214.04797	5.9
225.11237	2.2
227.12791	1.3
251.12778	0.6
265.21747	0.7
275.20096	1.4
293.21201	13.3
294.21606	1.6
311.22260	100.0
312.22592	9.9
473.25488	0.5
491.26468	0.6
508.26746	42.6
509.27109	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	508.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.3
58.12485	0.9
59.01241	7.8
61.98705	12.6
67.05460	1.0
71.01254	2.6
71.58389	1.6
73.02835	2.3
74.05204	0.9
76.19785	0.9
77.63438	0.9
78.95779	35.9
83.04885	1.4
84.02020	1.0
85.02818	1.8
93.03324	1.3
95.70896	1.0
96.95906	2.3
97.06471	1.7
99.08030	2.6
101.02307	1.9
109.06447	1.0
111.07967	1.1
113.09583	2.4
129.09084	5.0
140.01089	6.0
147.54219	1.0
151.11172	1.5
152.83723	1.0
152.99498	6.5
153.12723	1.2
163.11273	1.1
169.12274	3.6
171.00543	4.9
171.10165	3.0
173.04477	1.4
181.12253	6.6
183.13811	2.3
185.11748	1.6
189.09129	2.3
191.05495	1.1
191.14442	1.0
193.12384	2.3
196.03712	3.0
197.11734	13.8
198.12105	1.1
199.13275	7.4
201.11314	1.4
207.10371	1.3
209.11754	7.1
211.13338	14.1
214.04781	6.0
225.11423	4.7
225.17458	1.1
227.12906	1.0
252.07063	1.0
262.89902	1.0
275.20148	1.4
293.21207	14.9
311.22278	100.0
312.22644	10.6
409.72095	0.9
508.26779	54.4
509.26987	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	507.2808
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
55.01763	1.1
57.03320	1.1
59.01249	99.8
60.01597	1.5
63.38358	0.3
69.03339	0.5
70.90165	0.3
71.01250	12.5
71.58585	0.4
72.99188	0.9
73.02810	5.3
79.95625	0.4
80.96383	0.4
83.01263	3.0
85.02821	7.3
87.00764	1.1
89.02327	1.7
93.03349	1.2
95.01261	0.9
95.56443	0.3
96.95895	1.7
99.00758	2.1
101.02319	9.5
106.06506	0.4
111.00785	0.4
113.02331	5.5
119.03403	0.7
125.02344	1.2
129.01787	0.5
129.09198	0.4
134.06024	1.0
135.04422	1.0
135.06419	0.4
137.02350	0.7
151.00279	0.6
152.07100	0.6
159.02884	0.8
161.04482	1.8
163.03827	0.7
171.10172	1.7
173.04510	0.7
178.99707	0.5
180.06474	0.4
191.05547	1.1
196.16206	0.4
243.19606	1.6
255.11397	0.7
256.11655	0.9
267.11429	0.5
268.11703	0.8
271.02356	0.5
289.11218	0.5
300.02893	0.6
301.03064	0.6
302.03311	0.9
303.21777	0.6
328.68582	0.4
387.23856	0.7
389.25433	0.8
403.18600	0.9
405.24939	2.0
429.24814	0.6
432.59354	0.4
447.26007	4.2
465.27170	3.7
466.26648	0.5
489.27017	3.9
507.28055	100.0
508.20862	0.8
508.28455	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	507.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10115	0.2
59.01254	0.5
65.69463	0.2
68.41956	0.2
69.50541	0.6
69.50966	1.0
71.80993	0.2
78.95775	21.4
88.83095	0.2
95.73318	0.2
96.96838	2.6
98.19758	0.2
110.14603	0.2
148.76697	0.2
150.97951	0.6
152.99492	18.0
154.83868	0.2
166.60403	0.2
170.98790	0.6
171.00574	1.4
179.01106	0.2
190.65897	0.2
227.01427	3.5
227.03314	0.8
245.02463	0.9
245.04541	0.5
261.22208	0.7
279.23273	100.0
280.23624	9.0
307.19095	0.2
315.05334	0.2
433.23462	1.7
474.94537	0.2
507.25864	22.4
508.26169	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	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07239	0.2
59.01245	0.5
62.68555	0.2
65.68487	0.3
71.13657	0.6
78.95772	8.1
96.96841	0.7
126.13448	0.3
152.99489	16.0
154.71457	0.3
171.00546	1.6
178.38843	0.3
211.87877	0.3
227.03249	2.9
245.04292	1.4
261.22180	0.4
279.23276	100.0
280.23605	11.0
367.72018	0.4
376.84357	0.3
507.27274	27.2
508.27606	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	507.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79001	0.1
57.68259	0.1
59.01235	0.4
64.71697	0.1
69.28291	0.2
69.28699	1.3
78.95774	7.2
93.15952	0.1
96.96834	1.5
108.48226	0.1
150.97888	0.2
152.99481	4.3
170.98770	1.1
171.00539	0.9
227.01443	0.9
229.12874	0.2
245.02502	2.1
247.63037	0.2
261.22116	0.3
270.51044	0.1
277.21625	0.3
278.22217	0.2
279.23270	100.0
280.23611	10.6
281.23932	0.7
282.24155	0.3
313.51517	0.2
320.91507	0.1
433.23376	0.5
507.25522	8.8
508.25854	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	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69336	0.4
55.01774	0.9
57.03327	1.5
59.01252	100.0
60.01594	1.0
67.39064	0.4
69.59807	1.7
69.60222	0.9
70.00943	0.3
71.01252	11.4
72.01616	0.4
72.99191	1.0
73.02823	6.6
74.98993	0.4
83.01248	2.2
85.02818	6.3
87.00758	1.3
89.02345	1.5
89.08112	0.3
93.03336	0.6
95.01261	1.3
96.95892	1.6
97.02812	0.5
97.06507	0.4
99.00777	1.6
99.04392	2.0
101.02324	9.7
109.06473	1.1
113.02337	4.7
113.70809	0.3
118.97961	0.5
119.03395	0.4
119.04923	0.6
121.06455	0.7
123.04436	0.5
123.76127	0.4
124.02704	0.3
124.48803	0.3
125.02341	1.1
127.21273	0.3
129.45697	0.4
134.06004	1.9
135.04396	0.6
135.06361	0.9
141.01839	0.4
143.03400	0.8
148.00635	0.3
149.99458	0.4
155.10606	0.5
156.62299	0.4
159.02913	1.3
161.04469	4.7
163.03961	0.5
163.11082	0.4
165.12794	1.1
168.77025	0.4
173.04474	1.0
175.03763	0.3
189.12752	1.4
191.05554	1.1
191.10818	0.5
207.13850	3.1
209.11780	7.1
213.11037	0.4
219.08693	1.0
225.11307	0.7
225.14905	6.4
227.12839	28.6
228.13155	2.3
237.09755	7.1
251.12810	0.6
253.09274	0.6
255.11281	1.2
256.11673	1.3
267.11462	0.8
268.11642	1.5
269.14008	2.6
279.10812	2.8
285.20810	0.5
287.15082	1.4
289.11258	0.4
293.66354	0.4
303.21783	1.4
333.13190	0.4
374.18823	0.5
387.23831	0.6
389.25409	1.1
403.18588	0.8
447.17667	1.0
447.25824	1.9
461.20432	0.8
463.20834	0.7
465.27036	1.8
471.22281	0.6
489.23520	11.8
490.23608	1.3
507.24435	79.4
508.24866	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	507.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
58.00461	0.6
59.01248	3.8
69.03339	0.3
71.01244	1.2
71.10583	0.4
71.10928	0.3
72.64636	0.2
73.02828	1.3
85.02814	1.7
87.00740	0.2
87.04391	4.7
89.02297	0.2
91.05431	0.2
93.03331	0.9
97.02831	0.8
97.06502	0.4
99.04382	0.4
101.02312	1.2
111.04408	0.4
111.08000	0.3
113.02336	0.4
114.03145	0.3
117.03355	0.2
119.04912	100.0
120.04425	0.4
120.05246	4.3
125.02293	1.0
125.05967	0.4
126.54565	0.2
127.07536	0.4
135.04407	0.6
135.08029	0.6
137.05995	0.3
137.09608	3.8
139.07539	0.9
139.11205	0.5
141.09140	0.2
147.56190	0.2
149.09618	0.4
151.07477	0.3
151.11211	0.6
151.89737	0.2
155.10672	18.1
156.11031	0.9
161.09705	0.3
163.03912	63.0
163.11212	0.5
164.04242	2.6
165.09137	0.3
167.10678	0.4
169.12256	1.1
173.04494	0.4
177.09210	0.2
179.03329	0.5
179.10699	2.0
181.08636	1.8
181.12195	0.3
191.10684	1.1
195.10184	1.4
196.10527	0.3
199.09682	20.6
200.09991	0.8
213.11247	1.2
223.09668	1.3
225.11253	0.4
227.12775	0.3
237.11299	0.5
241.10754	5.9
242.11099	0.4
253.10750	1.8
255.12292	1.4
267.19659	0.4
283.11859	11.5
284.12112	0.8
325.13034	0.3
342.28610	0.2
343.13922	6.9
344.14291	0.5
427.74139	0.3
484.87393	0.3
507.18680	15.9
508.18726	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	507.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19538	1.4
59.01243	5.4
71.04529	3.6
72.99187	2.4
75.00745	13.1
78.68275	1.5
79.60023	1.4
81.58987	1.4
87.00292	1.8
87.00764	15.8
95.28050	1.5
96.95876	2.2
99.00735	2.1
101.02329	2.3
105.01812	14.2
126.65332	1.6
129.01886	2.2
137.45126	1.4
145.04910	2.0
147.02890	2.9
165.03960	100.0
166.01721	3.4
166.04233	2.3
214.06462	1.6
282.15527	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	506.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.6
57.03313	3.4
59.01253	17.1
61.98708	2.2
69.03303	2.2
69.36655	20.5
71.01239	3.3
73.59566	1.9
78.95779	24.1
80.02546	2.0
81.03340	4.3
83.01261	11.7
83.04891	5.9
93.03339	3.9
95.04880	2.5
96.95877	4.4
97.06470	4.7
98.03642	2.3
98.19741	3.5
101.14337	2.3
111.04422	2.5
111.82924	2.2
123.08055	5.2
125.09622	12.2
127.11160	2.5
135.08073	3.2
137.09721	2.6
139.11177	7.0
140.01060	10.2
151.11195	3.6
152.99518	5.1
163.11142	7.9
165.12752	19.2
167.10693	6.7
173.04480	2.6
179.14307	3.0
181.12253	9.1
191.05573	4.5
191.10712	5.9
193.15923	3.5
196.03741	6.0
209.11763	100.0
210.12041	6.1
214.04768	16.5
247.20724	11.4
265.21851	5.0
272.02835	4.5
273.18643	5.9
281.21164	2.8
291.19672	87.2
292.19958	10.7
301.03073	6.9
301.71747	2.2
309.20709	88.0
310.21097	10.8
313.22787	2.2
365.16418	3.9
506.09995	5.9
506.25284	61.8
507.25635	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	506.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.0
59.01253	22.6
69.03341	2.0
71.01261	10.5
71.57613	1.7
71.58027	2.5
73.02821	4.7
78.95776	24.4
79.17632	1.4
81.03345	2.0
83.04914	1.8
85.02824	5.2
87.00765	2.0
93.03341	9.3
96.95854	2.5
97.06483	4.6
101.02335	6.0
109.02811	2.0
111.08041	18.7
113.02327	4.5
127.07510	2.0
133.02769	1.8
135.04390	3.8
137.02353	3.0
140.01111	8.5
151.11176	2.4
152.99512	3.7
169.12294	10.6
171.10135	2.3
173.04497	11.7
178.02672	1.7
179.03531	2.0
179.10756	2.2
181.12251	2.8
191.05556	16.3
192.05769	1.8
193.15964	1.9
196.03738	5.0
197.11761	94.5
198.12135	6.4
199.13264	2.2
209.11725	7.5
210.12152	5.9
211.13383	9.8
214.04822	12.2
227.12869	2.3
253.09140	1.9
256.03247	2.5
263.20114	4.8
265.17996	2.3
271.02472	3.1
272.02826	3.8
273.18567	2.1
291.19653	21.3
300.02771	3.6
301.03091	5.0
309.20700	100.0
310.21060	10.6
376.64786	1.6
505.34140	1.9
506.10162	8.2
506.18863	2.2
506.25244	59.9
506.33514	7.0
507.25659	12.4
507.34521	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	505.2572
Annotation	Amoritin
Peak:m/z	Relative Intensity
57.58694	0.3
59.01243	1.1
59.11986	0.3
70.06873	1.3
70.80200	0.3
71.01244	0.3
78.03904	0.2
78.95773	9.6
82.50673	0.3
83.04973	0.3
93.90941	0.3
96.96813	1.0
103.74403	0.3
107.37761	0.3
150.19049	0.3
152.99483	18.0
159.35309	0.3
170.10042	0.3
171.00516	1.7
178.11221	0.3
202.24734	0.3
227.03217	2.9
233.22859	0.5
245.04332	2.2
259.20670	0.7
277.21701	100.0
278.22049	10.3
505.25708	28.0
505.33472	0.4
506.25998	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	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27450	0.8
59.01251	28.4
61.98692	0.8
69.40539	3.3
69.40965	3.1
71.01252	4.4
73.02820	1.1
74.65414	0.8
78.95775	2.5
83.04905	0.7
85.02814	2.6
87.00765	0.8
89.02319	2.4
93.03345	2.6
96.95886	1.9
97.06432	0.9
98.19629	0.9
101.02332	3.8
109.02845	1.7
113.02324	2.3
119.03413	1.3
125.02378	1.0
133.02890	1.5
133.04951	0.9
134.28825	0.6
135.04410	1.1
137.02315	1.2
142.12222	0.8
146.29501	0.7
151.00256	1.7
152.99449	0.9
161.02274	0.9
161.04457	1.2
163.03966	1.3
173.04494	4.2
173.05788	1.0
174.04672	0.7
177.01892	1.0
178.02531	0.8
178.99783	1.2
179.03362	0.8
191.05539	5.8
191.06985	1.2
209.11772	100.0
210.12071	5.7
211.13380	1.2
227.03429	1.1
235.05774	0.7
235.08099	1.7
239.42328	0.8
243.02971	2.5
253.09216	11.4
254.09593	1.0
255.02974	4.2
271.02481	13.8
271.05136	1.3
272.02832	1.4
282.63666	0.9
299.01849	0.9
300.02750	20.9
301.03452	5.4
309.20609	1.4
445.20929	1.0
445.31760	0.8
463.09027	1.0
505.09933	12.0
505.33539	0.8
506.10272	1.7
506.25433	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	505.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.8
61.40442	0.2
78.95776	8.8
79.60095	0.2
81.18826	0.2
83.04913	0.2
88.99516	0.2
89.20557	0.2
96.96841	1.6
121.02833	0.4
141.15073	0.2
151.00262	0.2
152.99478	5.5
170.98773	1.0
171.00473	1.2
227.01427	1.2
230.97807	0.2
233.22694	0.3
245.02411	2.1
246.04732	0.3
247.04773	0.3
247.16687	0.3
255.02919	0.3
259.20584	0.4
271.02435	0.9
275.20181	0.6
277.21701	100.0
278.22061	12.0
279.22388	1.2
280.22556	1.2
300.02686	1.5
301.03354	0.3
319.54565	0.2
427.08932	0.2
431.22101	0.3
505.09674	0.7
505.23883	8.4
506.24417	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	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09447	0.4
55.01750	0.5
59.01249	20.3
69.03307	0.5
69.25697	1.9
69.26124	2.7
70.06111	0.3
71.01257	4.7
72.99161	0.5
73.02824	1.6
78.95775	1.6
79.61091	0.4
83.01256	1.0
83.39723	0.4
85.02829	1.7
87.00741	0.9
89.02319	2.4
93.03330	1.8
95.01248	0.5
96.95831	0.6
97.06414	0.6
99.00764	0.7
101.02322	4.1
109.02798	0.5
111.04389	0.5
111.08051	0.4
113.02338	2.7
119.03448	0.8
133.02859	1.0
133.04951	0.7
135.04442	1.0
137.02310	0.9
151.00349	0.6
152.99353	0.5
155.03430	0.5
161.02191	0.5
161.04498	1.1
171.10143	0.5
173.04431	2.4
174.18909	0.4
177.01788	0.8
178.02524	0.6
179.03326	0.5
191.05556	3.9
196.03720	0.5
197.11714	1.9
209.11768	100.0
210.12103	7.0
211.13260	1.0
226.02721	0.4
235.08212	3.0
243.02982	1.3
253.09236	12.8
255.03011	3.0
271.02460	7.3
272.02847	1.3
299.01962	0.5
300.02716	11.2
301.03375	3.0
309.20721	2.2
445.20914	0.6
505.09866	6.0
505.22070	0.6
505.34796	2.8
506.09988	0.9
506.25372	2.9
506.32266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01723	1.2
57.03313	2.3
58.61630	0.8
59.01251	100.0
59.68342	0.8
60.01571	1.4
62.89310	1.1
71.01254	21.4
71.58063	1.1
72.99180	1.5
73.02815	10.1
75.00718	1.1
83.01257	5.2
85.02824	6.6
87.00748	3.6
89.02315	8.0
93.03320	2.3
95.01263	1.9
96.95874	3.4
97.02770	1.1
99.00738	3.2
99.04375	1.6
101.02319	18.9
101.10259	0.9
107.93608	0.8
109.06422	0.9
113.02332	8.7
115.00243	1.1
119.03368	3.7
123.08009	0.9
125.02337	1.4
141.09117	1.3
143.03404	1.7
155.10681	2.2
159.02925	1.3
161.04489	6.9
161.09622	1.5
165.09108	1.5
169.08585	1.9
169.24506	0.8
173.04553	0.9
175.02391	1.7
177.02789	1.5
179.10704	1.8
183.70793	0.9
191.05531	4.6
199.09644	2.8
203.05562	1.5
205.12303	4.3
207.05252	1.0
223.13335	4.2
228.06406	0.8
241.14394	2.9
254.24995	0.9
255.02945	1.1
271.02451	1.8
300.02802	2.8
301.03113	1.1
334.70184	0.9
362.80432	0.8
385.18753	6.5
403.14923	1.2
403.19733	19.5
404.20120	1.7
415.15250	1.1
445.20764	14.1
446.20816	1.0
461.20291	5.6
505.09763	1.7
505.22559	1.3
506.15457	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	505.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.4
58.00444	1.1
59.01250	86.4
61.47225	1.0
68.13009	1.1
68.64807	0.9
69.03314	1.4
71.01255	21.1
71.57404	1.6
72.99171	1.2
73.02816	16.8
81.03314	1.5
83.01257	5.1
85.02829	5.7
87.00750	4.1
87.83752	1.1
89.02315	6.8
89.78365	1.0
93.03323	2.5
95.01257	1.2
95.04876	2.9
96.00783	1.5
96.95896	6.4
97.06463	23.4
99.00798	1.1
99.04394	1.7
99.08003	1.0
99.63529	1.0
101.02321	14.5
107.55006	1.1
109.06461	2.2
113.02335	4.3
115.00237	3.1
115.07486	1.5
119.03387	3.9
123.04366	1.8
123.08010	1.9
125.05979	5.8
127.07516	2.9
135.08051	1.4
137.09615	1.0
139.07545	4.2
141.09129	2.2
143.07057	1.4
151.07535	4.6
151.11186	1.0
157.01259	1.2
157.08633	8.0
159.45462	1.2
161.04448	3.1
169.08601	17.8
173.04527	2.1
175.02356	4.5
177.12730	1.8
179.10648	1.6
185.08044	1.8
187.09692	31.5
187.11365	2.1
191.05557	8.0
195.10129	2.1
195.13850	1.2
221.11790	6.7
223.13290	2.2
239.12833	26.8
240.13174	2.3
241.14172	1.5
257.13919	40.9
258.14304	3.3
270.44229	1.1
283.10809	2.0
303.09167	1.2
367.17490	2.2
375.94070	1.1
385.18707	7.0
403.19598	2.9
410.64816	1.1
419.19196	16.4
420.19638	2.1
427.19656	8.0
445.20749	4.4
461.20255	100.0
462.20602	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	505.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21695	0.4
55.61478	0.4
59.01237	1.2
71.57418	0.5
74.93702	0.3
78.95779	3.1
88.81549	0.3
109.84821	0.4
121.02843	100.0
122.03188	3.1
136.35724	0.3
152.99535	2.7
162.83849	0.4
171.00529	0.7
180.05685	0.6
181.06497	2.9
197.06036	2.7
207.04437	1.0
207.08046	0.4
223.04085	0.4
225.05589	1.7
245.04337	1.7
246.04720	0.4
251.07101	0.5
254.01836	0.4
255.02971	0.6
257.09607	0.4
271.02530	1.3
275.20230	0.4
276.20560	0.6
277.21713	17.3
278.22052	1.1
295.06232	0.5
300.02719	2.0
301.03461	0.4
313.07135	4.6
314.07660	0.5
339.08771	0.4
357.06076	0.8
373.10571	0.7
383.07739	0.9
417.09796	9.4
418.10336	1.1
461.12274	0.9
505.11404	8.6
505.25488	4.9
506.11880	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	505.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.7
61.00991	0.2
63.02259	0.6
65.00189	1.3
69.33340	0.4
69.33735	2.0
71.01250	1.1
73.02816	0.4
78.76050	0.2
79.44961	0.2
83.01255	1.0
85.02826	0.6
86.02325	0.2
87.00757	0.3
89.02321	0.4
91.01783	0.2
93.03349	0.3
96.95879	0.5
99.00716	0.3
101.02307	0.9
102.55711	0.2
107.01268	2.4
108.02048	1.4
109.02842	1.1
111.08086	0.2
113.02341	0.7
121.02834	1.6
123.00733	0.3
124.01551	0.4
125.02325	0.5
128.03462	0.3
135.00795	1.0
135.04417	0.3
148.01590	1.6
149.02414	0.3
151.00270	8.5
151.01492	0.4
152.01009	0.4
153.01823	0.2
159.04395	0.4
161.04437	0.4
163.00264	2.3
164.01041	0.7
169.01395	1.0
171.04478	0.3
173.05879	0.2
175.02341	0.4
175.03850	0.3
178.99776	3.8
183.04420	0.5
187.03912	0.8
190.99789	0.4
191.05577	0.7
192.00534	0.5
193.01337	0.3
198.03030	0.3
199.03885	1.0
200.04703	0.2
201.05486	0.3
203.03654	0.5
211.04024	1.0
213.01790	0.3
215.03467	0.9
216.04227	0.6
226.02698	1.8
227.03441	3.8
228.03857	0.4
229.04962	0.4
237.86380	0.2
239.03394	0.3
243.02950	11.3
244.03423	1.1
245.04538	0.6
254.02138	2.2
255.02957	27.7
256.03345	2.6
271.02460	59.9
272.02890	6.2
273.03946	0.6
283.02420	1.7
299.02078	1.3
300.02722	100.0
301.03409	32.7
301.40976	0.2
302.03870	1.7
343.04422	0.5
381.55652	0.5
402.56021	0.5
445.07693	0.3
445.20264	0.4
463.08783	4.3
464.09131	0.6
504.28268	1.2
505.09851	53.3
505.25705	1.3
506.10150	7.4
506.21454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.2
60.51671	0.5
63.02266	1.4
65.00187	3.5
67.01730	0.6
68.99694	1.3
71.01254	1.5
75.73882	0.5
76.12212	0.5
78.00744	0.5
79.01773	0.7
83.01265	1.9
89.07146	0.4
91.01802	0.6
93.03336	5.0
95.01241	3.5
95.89477	0.5
96.71844	0.4
96.95854	0.5
99.00768	1.8
101.02326	0.8
107.01273	2.8
108.02045	1.9
109.02869	1.3
109.99957	5.1
111.00778	3.4
113.02324	0.6
117.03371	1.5
119.01286	0.8
119.04926	0.6
120.35366	0.6
121.02861	1.1
123.00774	3.5
123.04438	0.6
124.01546	1.9
124.87920	0.6
125.02343	1.9
131.04916	0.7
132.02074	1.2
133.02834	1.5
135.00772	2.4
135.04448	0.7
136.01619	0.6
136.98723	2.1
137.02330	1.5
137.99483	1.6
139.00235	4.1
143.04932	1.6
145.02853	1.0
148.01607	0.9
149.02332	0.9
151.00264	7.9
152.01067	3.7
153.01802	1.8
154.04150	0.6
155.04938	1.4
156.05710	0.9
157.02846	0.6
157.06497	0.9
159.04395	1.9
161.02373	1.1
163.00269	4.3
165.01910	0.7
165.98984	4.7
166.99751	3.4
167.04869	0.8
171.04422	4.4
173.02280	0.9
173.06084	0.8
174.03195	1.0
174.20609	0.5
175.03900	1.0
178.99782	5.0
180.00404	0.7
181.01300	1.2
182.03629	0.8
183.04424	4.7
184.04936	0.7
185.02347	0.9
185.06004	1.5
187.03897	3.8
189.01836	0.8
192.00519	0.9
193.01270	0.5
193.98535	0.9
198.03127	2.1
199.03925	6.2
200.04637	2.3
201.05479	2.2
203.03435	0.6
210.03123	0.8
211.03961	5.3
213.05411	1.1
215.03461	4.6
216.04037	1.7
217.04747	0.8
225.96831	0.5
226.02690	4.4
227.03455	22.9
228.03981	2.9
229.01344	0.9
229.04961	1.5
231.02988	0.6
239.03448	2.1
241.01471	0.6
242.01881	0.6
243.02954	36.5
244.03520	5.0
245.04471	1.6
254.02180	4.6
255.02965	76.9
256.03430	8.1
257.04565	8.6
258.04718	0.6
271.02463	100.0
272.03094	24.2
273.03793	3.1
282.01416	0.7
283.02487	11.8
284.03021	1.8
285.04004	1.7
299.01846	1.5
300.02722	75.1
301.03430	25.5
301.06604	0.4
302.03952	2.1
441.72763	0.5
452.76746	0.6
461.10577	1.0
463.08926	1.3
487.08453	1.1
501.63449	0.5
505.09833	83.3
506.10132	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	505.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51795	0.2
57.45461	0.2
63.02266	0.6
65.00193	1.5
67.37552	0.3
70.25876	1.0
71.24407	0.3
81.89539	0.2
83.01237	0.9
88.48220	0.3
91.01790	0.3
93.03312	0.2
98.19875	0.3
107.01256	2.6
108.02042	1.4
109.02849	1.0
110.00111	0.3
119.01266	0.3
121.02835	1.3
124.01577	0.3
135.00758	1.2
148.01599	2.0
149.02272	0.4
151.00273	8.2
152.00702	0.4
153.01894	0.3
159.04395	0.3
163.00314	2.1
164.01030	1.0
169.01381	0.5
178.99785	4.1
183.04501	0.4
185.06070	0.3
187.03926	0.7
188.04684	0.2
190.99704	0.6
192.00484	0.3
198.03098	0.6
199.03909	1.8
201.01932	0.6
201.05602	0.3
203.03448	0.7
211.03935	1.0
215.03395	0.9
216.04263	0.6
226.02689	2.7
227.03453	4.2
228.03896	0.5
229.04921	0.4
243.02957	16.7
244.03424	1.7
245.04483	0.8
254.02176	4.3
255.02957	29.6
256.03369	2.5
271.02469	76.8
272.02881	7.8
273.03894	0.8
283.02484	1.1
299.02048	2.0
300.02728	100.0
301.03415	27.3
302.03879	1.4
343.04395	0.4
463.08817	3.9
464.08926	0.3
505.09857	50.4
506.10120	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.099
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.96534	0.2
57.03321	0.2
59.01250	3.7
60.99162	0.2
61.98716	0.2
63.02264	0.4
64.99899	0.3
65.00176	1.0
67.01763	0.3
70.71037	0.2
71.01252	1.8
71.58065	0.4
73.02811	0.5
78.95785	0.6
79.95612	0.2
81.03307	0.2
83.01247	0.9
83.04861	0.2
85.02837	1.0
87.00751	0.6
89.02361	0.3
89.15128	0.2
91.01765	0.2
93.03329	2.7
95.48036	0.2
96.95875	0.4
97.06489	0.5
97.49416	0.2
101.02317	0.8
107.01266	1.7
108.02043	1.7
109.02884	1.1
111.00682	0.2
111.04417	0.4
113.02331	0.6
117.05512	0.2
119.01260	0.5
119.04893	0.3
121.02828	1.2
123.00745	0.2
124.01546	0.3
125.02333	0.5
133.02798	0.5
134.03635	0.2
135.00780	0.8
135.04405	0.9
137.02328	0.4
139.03836	0.2
145.02841	0.2
147.00832	0.3
148.01579	1.5
149.02335	0.4
151.00275	8.0
152.00600	0.4
153.01843	0.4
155.03456	0.3
159.04405	0.3
161.02353	0.4
161.04446	0.2
163.00294	2.3
163.03864	0.5
164.01064	0.9
165.01819	0.2
169.01329	0.8
171.04404	0.3
173.04475	3.5
173.05896	0.2
174.03229	0.3
174.04678	0.2
175.03867	0.4
178.99780	3.8
179.03416	0.7
183.04495	0.4
187.03870	0.6
189.05617	0.2
190.02780	0.2
190.99843	0.4
191.05533	3.7
191.07112	0.4
192.00555	0.3
198.03177	0.4
199.03973	1.6
200.04497	0.3
201.01843	0.5
201.05486	0.3
202.02971	0.2
203.03421	0.5
209.11729	0.8
211.03909	1.0
213.01772	0.2
214.02631	0.3
215.03395	0.9
216.04205	0.6
223.13371	0.7
226.02661	2.8
227.03441	3.8
228.03885	0.4
229.01425	0.3
229.05046	0.5
230.02260	0.2
239.03632	0.3
243.02962	14.1
244.03526	1.4
245.04518	0.8
253.09299	0.3
254.02196	3.5
255.02960	25.5
256.03363	2.2
257.04773	0.2
271.02472	65.9
272.02911	7.3
273.03882	0.9
283.02499	0.8
283.13232	0.3
299.01999	1.8
300.02734	100.0
301.03397	29.9
302.03931	2.6
343.04532	0.6
382.88312	0.3
385.13324	0.7
387.24176	0.2
445.07733	0.3
463.08823	4.7
464.08847	0.3
505.09857	57.5
506.10181	8.7
506.17615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02504	0.4
59.01253	1.2
65.00166	0.4
67.43886	0.5
67.79996	0.4
69.43536	1.1
69.43954	2.3
69.69755	0.4
83.01245	0.7
106.23329	0.5
107.01265	1.7
108.02060	1.2
109.02825	0.9
121.02821	1.4
135.00792	1.2
148.01573	1.4
149.02264	0.6
150.99113	0.8
151.00264	8.9
159.04367	0.6
161.02362	0.4
163.00252	2.7
163.04166	0.4
164.01021	1.0
174.03120	0.5
178.99777	4.5
187.03857	0.6
190.16203	0.5
199.03860	0.9
201.01813	0.5
201.05568	0.8
203.03566	0.5
211.03960	1.0
215.03416	1.0
216.04228	0.9
226.02693	4.3
227.03467	5.0
228.03897	0.6
243.02960	16.0
244.03394	1.7
245.04456	1.2
254.02188	5.0
255.02966	22.4
256.03305	2.4
271.02466	75.6
272.02933	8.2
273.03986	1.5
283.02502	0.8
299.01935	2.2
300.02731	100.0
301.03436	39.6
302.03827	3.2
343.04590	0.5
417.26172	0.4
463.08807	2.6
505.09866	77.1
506.10168	12.2
506.17493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41417	0.1
59.01248	0.6
62.96279	0.2
71.01254	0.1
71.57243	0.1
71.81923	0.1
78.95773	24.6
92.38499	0.1
96.41420	0.1
96.96854	0.4
97.06474	0.1
104.97312	0.1
117.67152	0.1
117.68346	0.1
122.98465	0.2
124.24601	0.1
127.07511	0.1
133.02832	0.1
134.98415	0.2
152.99489	4.3
168.04225	3.6
169.04655	0.1
171.00578	0.3
194.05795	0.2
212.68709	0.1
224.06879	9.7
225.07185	0.3
227.03250	0.3
242.07957	2.3
243.08203	0.2
245.04309	0.5
255.03020	0.1
261.22256	0.4
265.05029	0.1
271.02560	0.1
277.21735	4.4
279.23273	100.0
280.23621	10.7
300.02838	0.3
301.03537	0.1
325.85580	0.1
399.24066	0.1
415.22247	0.1
422.90411	0.1
504.30942	22.7
505.10077	0.1
505.25488	2.0
505.31476	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	505.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	0.1
59.01249	1.7
63.02266	0.5
65.00188	0.9
65.56599	0.1
69.03364	0.1
71.01239	0.3
73.02821	0.2
75.19789	0.1
83.01268	0.7
84.70763	0.1
85.02800	0.3
91.01773	0.2
93.03338	0.2
94.08221	0.2
96.95872	0.2
98.19752	0.3
107.01268	1.9
108.02050	1.4
109.02824	1.4
119.04890	0.2
120.01999	0.2
121.02837	1.2
123.00779	0.1
124.01501	0.3
125.02345	0.3
135.00757	1.0
135.04362	0.3
137.02315	0.2
147.00819	0.2
148.01556	1.6
149.02335	0.3
151.00275	9.1
152.00880	0.3
153.01790	0.2
159.04404	0.3
160.01553	0.5
161.02324	0.3
162.33559	0.2
163.00293	2.0
163.03938	0.2
164.01117	0.7
165.01910	0.2
167.04961	0.1
169.01390	0.4
171.04495	0.2
173.04597	0.2
175.03897	0.8
178.99783	4.2
180.00082	0.2
183.04434	0.5
187.03932	0.6
188.04785	0.2
189.01964	0.2
190.99820	0.2
191.05576	0.3
192.00586	0.4
193.01215	0.2
198.03094	0.3
199.03918	1.1
200.04541	0.2
201.01976	0.3
201.05463	0.4
203.03452	0.6
209.11800	0.2
211.03954	1.1
213.01787	0.2
215.03340	0.8
216.04234	0.5
226.02637	1.8
227.03458	2.8
228.03955	0.5
229.01328	0.4
229.04997	0.5
229.62558	0.2
239.03494	0.2
241.06230	0.2
243.02962	11.9
244.03386	1.1
245.04454	0.6
254.02185	2.5
255.02960	27.0
256.03333	2.6
266.02118	0.2
271.02460	60.0
272.02881	6.7
273.03864	0.9
283.02325	0.9
299.02036	2.0
300.02722	100.0
301.03403	31.2
302.03857	2.3
343.04205	0.3
445.07901	0.2
461.14462	0.5
463.08810	6.5
464.09015	0.8
505.09863	44.9
506.10214	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	504.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
60.09185	0.0
65.87782	0.0
66.35585	0.0
71.01291	0.1
71.12657	0.1
76.42601	0.0
78.95772	6.8
83.04888	0.1
96.96835	0.2
104.97345	0.0
137.58569	0.0
152.99484	1.8
168.04218	1.7
171.00568	0.1
224.06857	1.0
224.08900	0.1
227.03189	0.1
242.07942	2.7
243.08292	0.1
245.04324	0.1
259.20721	0.0
261.22217	0.4
262.22476	0.1
277.21719	3.1
279.23264	100.0
280.23593	10.8
300.02792	0.1
384.94507	0.1
504.30936	6.5
505.25546	1.7
505.31534	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	504.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42143	1.9
55.76592	2.3
57.03313	8.0
59.01256	27.6
61.43622	2.4
67.01732	2.6
69.03330	3.8
71.01249	5.4
71.28746	4.4
73.02837	2.6
78.95769	32.0
80.02544	3.4
81.03323	8.1
83.01243	9.7
83.04893	5.7
84.22076	2.0
85.02821	4.6
87.00726	4.4
93.03323	11.9
93.30797	1.8
95.04891	4.1
96.95870	6.0
97.02800	4.1
97.06461	11.4
101.02315	4.4
105.03326	2.3
107.51711	2.0
109.02817	5.2
109.06467	3.6
111.00751	2.8
111.04442	4.5
123.04391	4.7
123.08041	2.4
125.09589	15.8
133.02849	19.2
135.04401	3.0
135.08025	4.0
137.02316	4.5
137.09592	5.8
140.01073	14.3
151.11105	3.2
152.99539	2.2
155.03461	3.3
163.07536	2.7
163.11172	14.8
165.12747	8.6
171.10236	2.4
173.04485	19.3
174.04716	2.4
175.53542	2.9
177.01849	7.4
177.09158	2.2
178.02686	5.7
179.10620	5.1
181.12230	7.5
185.11708	11.0
191.05562	19.9
191.10600	4.9
191.14322	16.9
196.03683	6.1
207.04816	3.3
207.10190	11.5
209.11755	100.0
210.12148	6.9
211.13342	15.2
214.04787	19.5
215.05428	2.3
217.15779	2.9
225.11235	7.5
227.12886	4.5
227.17853	2.4
243.02898	7.2
245.19066	27.6
255.03017	9.4
271.02429	30.9
271.17169	3.9
289.18103	91.0
290.18484	8.7
299.01843	8.0
300.02713	46.4
301.03357	10.6
307.19131	76.3
308.19464	6.6
504.23657	57.9
505.09906	24.4
505.23788	8.7
505.30490	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	504.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	31.9
63.49973	1.9
65.00181	2.7
65.99715	1.7
71.01244	9.7
71.58068	1.7
71.58437	2.2
72.99158	2.1
73.02812	3.4
75.00735	2.7
83.01261	3.9
85.02823	3.6
87.00760	2.1
89.02286	2.3
93.03334	8.1
95.01266	2.6
96.95895	5.9
101.02324	3.2
107.01248	7.8
109.02837	2.6
113.02374	4.0
121.02824	3.8
123.00822	2.0
125.02341	3.2
132.02092	2.4
134.02364	5.1
137.02353	10.9
145.02858	2.9
149.02350	3.0
151.00253	18.0
153.01857	2.2
161.02362	1.7
162.01895	13.5
163.00291	2.8
164.03423	17.3
169.01265	2.8
172.03949	2.7
173.04451	2.3
176.01106	2.2
177.01845	16.1
178.99768	7.1
183.04407	2.6
186.01906	3.8
189.39246	1.6
190.01422	4.3
191.05539	4.8
193.01279	2.8
203.02084	2.4
204.02946	12.0
211.03925	3.0
227.03465	9.0
229.04948	2.6
243.02985	3.2
255.03024	15.3
256.03500	1.9
257.04318	2.5
259.02490	1.8
266.04623	2.2
269.04596	2.3
270.01306	2.0
270.04132	5.3
271.02518	10.7
272.03235	4.1
278.04559	2.9
279.02866	5.5
283.02411	10.5
284.03122	8.0
285.03738	3.4
294.04083	3.4
295.08267	2.3
297.04077	6.7
299.04422	2.7
300.02606	12.6
301.03497	22.7
305.03339	2.9
306.04141	12.8
313.09213	2.4
323.04279	21.6
324.05081	36.7
325.05447	2.9
326.03033	1.9
339.07111	2.6
341.05347	26.3
342.05991	6.7
381.05597	3.4
384.09323	12.4
410.06985	3.0
447.09171	2.6
463.08829	15.6
486.10422	21.1
504.11484	100.0
504.27719	8.3
505.11435	11.5
505.26825	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	503.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45314	0.6
71.05841	0.8
71.06186	0.7
78.95772	44.9
95.54396	0.6
96.96819	3.3
106.02803	0.6
150.97908	0.7
152.99486	56.2
162.83870	0.7
171.00546	18.0
212.82632	0.6
227.03200	2.8
231.21132	35.8
232.21469	2.6
245.04279	100.0
246.04741	3.9
270.01331	0.6
275.20148	43.7
276.20493	3.8
277.21692	1.8
278.21988	2.9
342.89709	0.6
370.49179	0.7
503.24051	21.4
504.24756	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	503.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.1
59.01249	100.0
60.01584	1.1
64.98351	0.5
69.03335	1.3
71.01250	21.6
72.99182	1.0
73.02818	23.7
75.00723	0.6
83.01258	9.2
85.02838	5.6
87.00750	2.7
89.02316	7.4
93.03326	7.5
94.03686	1.0
95.01282	1.2
96.95878	13.2
97.02816	0.6
99.00764	1.1
99.04368	1.1
101.02319	28.1
102.02641	0.6
107.04924	2.2
111.04397	0.8
113.02325	12.5
119.03392	5.2
119.04954	0.8
121.02802	0.7
122.03619	2.1
123.04388	0.6
124.05183	1.4
125.02347	2.1
131.03369	2.8
137.05984	1.7
139.07550	8.0
139.76280	0.6
143.03392	3.6
149.04425	4.4
151.03807	0.6
155.03372	1.3
161.04445	14.4
162.04886	0.8
168.07823	4.6
171.04448	1.3
173.04504	0.9
179.03438	13.4
179.05473	1.8
180.03741	0.8
191.05528	18.1
191.10724	5.4
192.05853	8.7
193.05989	7.9
203.05560	1.7
203.07225	1.5
209.11795	1.3
211.07664	1.0
221.06607	3.9
221.11888	1.3
223.89630	0.6
239.12947	0.8
246.07576	0.6
265.08780	1.1
297.11230	3.0
305.10657	4.1
306.10959	0.9
323.15137	1.8
327.08820	1.7
328.08881	1.1
329.09302	3.3
341.10342	2.4
353.16174	1.0
371.17297	1.1
383.17026	3.7
401.18030	3.9
413.18298	1.8
443.19104	8.2
444.19507	0.9
459.18817	1.8
503.14417	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	503.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.8
59.01250	100.0
60.01594	1.3
71.01255	23.1
71.57166	1.8
71.57574	2.2
72.99146	1.5
73.02819	11.5
75.00764	1.7
83.01241	4.5
85.02831	9.5
87.00721	2.3
89.02322	12.3
93.03330	28.6
95.01281	2.4
96.95876	4.8
96.99163	4.7
101.02322	16.4
113.02328	10.6
119.03419	3.4
119.04942	2.2
121.02813	2.4
121.06461	1.2
123.08028	1.4
123.18162	1.4
125.02351	2.6
129.01823	5.8
130.33447	1.3
143.04955	2.2
151.00212	2.7
152.01151	1.4
161.04465	3.6
171.04477	7.2
191.05540	3.5
193.12303	4.7
203.07127	9.1
210.06821	6.3
211.07486	6.4
211.13310	1.8
221.11755	1.7
235.07599	1.7
237.09154	2.2
239.12840	4.1
263.07129	3.7
264.07913	5.6
265.08685	17.8
272.02728	1.9
281.09473	2.2
297.11322	22.1
298.11661	1.5
299.02103	2.8
300.02530	9.1
311.70959	1.5
341.04843	1.5
341.10281	6.4
342.10437	2.3
355.17670	15.3
356.18158	2.4
372.04446	2.1
373.13565	2.1
373.18585	16.3
374.19211	1.6
402.05756	3.0
415.19666	2.9
417.17520	4.9
427.13907	2.7
459.18585	5.0
503.09888	4.4
503.19366	1.6
505.09103	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	503.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61420	4.1
57.03310	4.0
59.01252	67.0
62.32700	3.5
71.01244	32.8
71.28257	7.5
73.02828	12.8
81.03358	3.3
83.01264	6.5
85.02376	3.5
85.02809	16.3
89.02332	7.9
93.03332	4.2
96.95872	9.9
101.02338	21.4
113.02316	12.7
119.03303	3.5
119.04922	6.4
135.04388	4.8
141.05460	8.7
151.07512	4.3
151.26724	3.7
179.03406	4.2
191.05565	6.9
193.12291	12.8
221.11777	11.6
237.11295	5.9
355.17737	5.8
417.17499	13.3
448.06973	4.0
459.18646	100.0
460.18921	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	503.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.8
59.01250	100.0
60.01594	1.3
71.01255	23.1
71.57166	1.8
71.57574	2.2
72.99146	1.5
73.02819	11.5
75.00764	1.7
83.01241	4.5
85.02831	9.5
87.00721	2.3
89.02322	12.3
93.03330	28.6
95.01281	2.4
96.95876	4.8
96.99163	4.7
101.02322	16.4
113.02328	10.6
119.03419	3.4
119.04942	2.2
121.02813	2.4
121.06461	1.2
123.08028	1.4
123.18162	1.4
125.02351	2.6
129.01823	5.8
130.33447	1.3
143.04955	2.2
151.00212	2.7
152.01151	1.4
161.04465	3.6
171.04477	7.2
191.05540	3.5
193.12303	4.7
203.07127	9.1
210.06821	6.3
211.07486	6.4
211.13310	1.8
221.11755	1.7
235.07599	1.7
237.09154	2.2
239.12840	4.1
263.07129	3.7
264.07913	5.6
265.08685	17.8
272.02728	1.9
281.09473	2.2
297.11322	22.1
298.11661	1.5
299.02103	2.8
300.02530	9.1
311.70959	1.5
341.04843	1.5
341.10281	6.4
342.10437	2.3
355.17670	15.3
356.18158	2.4
372.04446	2.1
373.13565	2.1
373.18585	16.3
374.19211	1.6
402.05756	3.0
415.19666	2.9
417.17520	4.9
427.13907	2.7
459.18585	5.0
503.09888	4.4
503.19366	1.6
505.09103	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	503.1192
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.13104	0.2
55.01759	0.3
57.03319	0.8
59.01252	11.5
59.57129	0.2
60.01596	0.3
62.25771	0.2
65.77688	0.2
67.01772	0.5
69.03341	0.4
71.01254	6.8
71.04882	0.3
72.01589	0.3
72.99187	0.7
73.02826	1.3
78.95767	0.3
81.03326	0.6
81.23061	0.2
81.28595	0.2
83.01263	0.9
83.04900	1.9
85.02831	3.3
86.03175	0.3
87.00758	0.9
89.02320	2.6
89.03843	0.3
91.05416	0.5
93.03336	3.3
95.01264	0.8
95.04858	0.3
96.95895	1.0
97.02827	0.5
97.06480	0.4
98.20612	0.7
99.00768	0.6
99.04409	0.2
101.02331	3.9
102.02653	0.3
106.04128	0.3
107.04887	1.5
108.02067	0.3
109.02827	0.4
109.06502	0.2
111.00758	0.5
111.04381	1.0
113.02332	2.7
117.03338	0.5
118.97989	0.2
119.03387	0.9
119.04869	0.3
121.02827	0.4
124.01599	0.3
125.02355	0.4
127.03868	0.2
133.02853	2.5
134.03630	5.4
135.04416	100.0
136.04742	4.3
136.05727	0.4
137.02316	0.7
137.09618	0.4
139.03908	0.5
139.07559	2.4
139.11188	0.2
140.07915	0.6
143.03404	0.3
145.81609	0.2
149.06041	0.2
151.00276	0.3
152.99525	0.2
153.09164	0.2
155.03421	0.5
155.10695	0.7
156.10205	0.3
158.11763	0.6
159.04407	0.2
161.02373	0.5
161.04460	0.7
163.03911	0.4
164.07089	0.3
173.04471	7.6
175.02400	0.3
177.01894	0.4
178.02571	0.6
179.03415	89.6
180.03767	4.1
181.12297	1.1
182.12469	0.3
188.32013	0.3
191.05525	3.5
193.04988	3.7
201.14865	0.4
209.02184	0.4
209.11736	0.3
209.65816	0.2
214.02798	0.3
224.12785	0.5
230.27974	0.3
231.10159	0.4
241.01418	2.2
242.02133	0.3
243.02888	0.4
245.00854	1.1
255.03003	0.4
270.01666	1.9
271.02332	1.2
275.09332	1.9
276.09503	0.3
285.03937	0.3
293.10306	0.7
298.01324	1.0
299.01974	2.0
353.30255	0.2
359.27975	1.1
404.19202	0.7
405.19702	0.6
442.68848	0.2
449.14511	1.5
489.10754	0.2
502.26413	5.5
503.07352	2.0
503.26740	8.9
503.32599	2.3
503.64441	0.3
504.27094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00983	0.1
59.01253	1.1
66.00210	0.0
68.66736	0.1
71.01250	0.3
73.39320	0.1
78.95774	7.7
83.04892	0.2
96.96832	0.1
97.06451	0.1
98.19762	0.1
99.04428	0.1
101.56999	0.1
101.65604	0.1
104.22419	0.1
127.07583	0.3
152.99481	1.1
168.04227	2.0
171.00557	0.2
205.19603	0.1
224.06880	1.1
231.21152	0.2
233.15582	0.1
233.22736	0.3
242.07973	3.4
243.08293	0.1
245.04282	0.6
259.20749	0.4
275.20160	0.7
277.21713	100.0
278.22052	9.0
340.06046	0.1
502.29391	6.8
503.23868	0.1
503.29919	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	502.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43764	0.1
59.01247	1.1
59.95035	0.1
59.98382	0.1
60.88487	0.1
62.96277	0.2
63.70609	0.1
64.64840	0.1
69.03309	0.1
71.01267	0.3
78.95773	28.4
83.04896	0.2
96.96840	0.4
98.03995	0.1
98.20633	0.2
104.97318	0.1
110.11192	0.1
113.05982	0.2
122.98421	0.2
127.07540	0.2
134.98412	0.2
150.97903	0.1
152.99486	5.6
156.60216	0.1
160.84128	0.3
168.04218	4.3
171.00575	1.0
194.05751	0.2
205.19495	0.1
224.06877	11.1
225.07173	0.5
227.03154	0.1
231.21136	1.6
233.22725	0.4
242.07948	2.9
245.04269	3.9
259.20578	0.5
275.20129	2.4
277.21704	100.0
278.22040	8.9
329.65829	0.1
413.21048	0.2
502.29385	24.0
503.23773	0.7
503.29800	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	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93361	0.4
52.25965	0.5
53.84523	0.5
55.01748	1.9
57.03307	1.5
58.00453	1.3
59.01250	36.7
60.01568	1.7
61.98695	0.8
67.01764	0.6
71.01250	24.6
71.04884	0.8
71.57953	0.9
71.58349	0.6
72.01598	0.7
72.99171	2.1
73.02820	4.7
78.95798	0.5
79.78362	0.5
81.03336	3.0
83.01254	4.0
83.04893	13.4
85.02821	10.3
87.00745	1.9
89.02315	12.1
93.03338	2.9
95.01266	2.2
95.04910	0.6
96.08052	0.8
96.95875	2.0
97.02816	0.8
99.00778	1.5
101.02315	16.0
109.02827	0.7
109.06456	0.7
111.00751	0.8
111.04376	1.3
113.02329	9.8
114.02685	0.7
115.07528	2.4
119.03371	5.0
125.02346	0.9
127.03874	1.3
133.02824	3.7
134.03587	1.9
135.04410	41.1
137.02332	0.7
137.09613	2.1
139.07539	16.9
139.11209	1.0
140.07866	0.7
140.10693	0.5
147.04359	0.6
155.10699	0.8
156.10220	2.2
157.08604	1.7
158.11772	6.0
159.02911	0.9
161.02409	0.6
161.04459	1.9
173.04488	8.6
177.01816	0.6
178.02425	0.8
179.03410	33.3
180.13829	1.4
181.12254	11.5
183.10202	1.1
191.05531	4.7
193.04988	1.4
194.00803	0.5
194.15485	0.6
199.13422	0.9
202.83516	0.6
206.11809	1.5
207.09912	0.6
224.12877	4.9
231.10135	0.7
235.49377	0.6
241.01363	2.2
245.00887	1.1
270.01697	1.8
271.02353	0.8
275.09250	1.7
298.01160	1.1
299.02182	1.0
320.16980	1.2
336.06851	0.5
359.28088	1.4
404.19217	7.6
405.19696	1.0
449.14569	1.4
484.25461	2.6
502.26529	100.0
503.08203	2.2
503.26251	12.4
503.32574	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24033	1.9
57.03326	3.5
59.01252	78.9
69.03355	2.2
69.52969	1.8
69.65579	6.4
69.66006	7.2
71.01232	13.8
72.99200	3.9
73.02818	7.1
75.00763	2.6
78.17483	2.0
83.04906	2.6
85.02821	30.1
85.03286	2.9
85.06036	1.8
86.03152	2.6
87.00759	5.2
89.02330	6.3
93.03333	11.0
96.04447	2.3
96.95901	11.5
99.00760	3.0
101.02346	9.2
107.04893	2.9
109.02833	11.0
111.04394	4.6
113.02297	4.7
115.00275	2.4
119.03380	3.3
122.05998	3.5
123.04383	2.0
124.03928	13.3
125.02298	2.4
127.03890	3.2
129.01845	2.7
130.08630	15.3
132.04451	2.9
133.02855	16.6
134.03622	5.9
135.04416	52.9
136.04778	3.0
137.02313	6.1
143.03386	2.3
145.02834	2.4
149.04628	2.7
150.05513	7.2
151.00258	4.2
155.03395	2.3
159.04419	36.4
161.02351	11.3
161.04501	2.6
163.03862	3.7
168.02887	2.6
173.04465	18.1
177.01860	12.0
178.02657	5.8
179.03426	32.1
183.64247	2.4
191.05545	100.0
192.05891	7.1
199.13312	2.3
203.03410	27.2
207.27219	1.8
240.06525	4.9
241.01285	13.4
241.07291	4.6
245.00870	6.2
254.08203	2.4
255.08829	2.9
256.09665	12.0
266.08185	5.6
270.01666	11.5
271.02478	5.8
282.07745	18.4
284.09293	9.2
298.01181	4.1
298.10861	7.9
299.01965	8.8
300.08759	7.0
310.07236	26.6
328.08411	9.6
352.07983	4.0
353.08807	34.2
354.08984	4.9
426.56964	2.3
474.13956	13.2
484.16907	4.0
502.13763	3.8
502.26526	20.2
503.08493	20.7
503.25824	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	501.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26124	3.5
56.52227	3.8
59.01252	100.0
71.01250	42.3
71.57409	5.0
72.99167	4.6
73.02814	38.7
79.94893	3.5
83.01277	10.9
85.02834	9.4
87.00759	11.8
89.02322	14.4
93.03339	10.8
96.95885	20.2
101.02325	36.8
105.05965	3.5
109.02843	7.0
113.02338	15.0
119.04899	8.3
129.35611	4.2
135.04445	4.5
141.01801	4.6
143.03395	4.5
151.00259	10.3
159.02904	4.0
161.04459	10.7
163.03937	5.5
173.04486	10.9
173.42197	3.7
178.99825	7.0
191.05550	35.3
191.10683	15.3
192.05902	4.8
202.45842	4.1
207.04944	3.9
243.02782	6.1
271.02432	35.4
294.04300	5.5
295.02493	4.1
299.01935	86.0
300.02863	10.7
301.03555	10.5
310.03616	4.8
313.03683	4.0
322.03436	4.9
324.05072	4.9
339.03812	28.8
340.04620	13.0
349.92465	4.0
403.32193	4.2
457.17053	25.2
462.07944	18.2
483.15262	4.1
501.14078	5.6
502.09937	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61669	1.5
59.01249	33.0
69.52112	4.0
69.52540	9.5
71.01243	18.5
72.99147	2.2
73.02812	29.7
81.03367	1.5
83.01270	7.5
85.02817	4.7
89.02319	5.6
93.03331	5.0
98.20523	3.2
99.00747	2.1
101.02320	22.2
113.02324	5.1
119.03386	2.0
119.04919	3.8
121.06508	2.0
122.03603	6.7
131.03423	2.3
133.47890	1.5
135.04448	2.5
137.05959	10.2
139.74286	1.6
161.04510	2.5
163.03893	2.1
173.04457	4.4
173.09581	2.3
191.05539	32.4
191.10681	19.5
196.87097	1.7
199.96384	1.4
235.09572	2.5
274.31482	1.5
327.08884	3.3
332.45404	1.6
415.16125	17.3
416.16458	3.1
457.17142	100.0
458.17529	9.9
501.14130	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	501.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10884	2.2
50.36594	2.7
55.01777	3.7
59.00982	4.2
59.01252	47.3
63.19133	2.7
66.53832	2.1
68.62154	2.5
69.03336	2.3
69.44821	21.1
71.01257	23.6
71.87846	2.5
73.02823	35.6
83.01245	7.7
85.02821	16.0
89.02304	5.5
93.03348	14.2
96.95885	23.4
98.19856	4.9
101.02309	20.7
109.02885	3.5
113.02319	7.9
115.08642	5.8
116.19994	2.5
119.03394	2.5
119.04905	9.0
121.06485	2.8
122.03614	10.4
127.04971	3.1
129.10207	2.8
135.04373	3.2
137.05968	9.4
143.04913	3.0
145.06070	5.4
149.09592	2.8
155.03374	3.9
163.03804	2.7
165.05524	5.2
173.04422	4.0
173.09599	3.0
191.05536	100.0
191.10641	14.6
192.05838	4.9
196.14505	3.8
198.96179	2.8
265.08667	4.6
305.10617	6.7
327.08755	9.4
367.13614	2.6
456.25043	6.0
457.17191	76.5
457.24109	5.7
458.17572	11.8
501.14108	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	501.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26124	3.5
56.52227	3.8
59.01252	100.0
71.01250	42.3
71.57409	5.0
72.99167	4.6
73.02814	38.7
79.94893	3.5
83.01277	10.9
85.02834	9.4
87.00759	11.8
89.02322	14.4
93.03339	10.8
96.95885	20.2
101.02325	36.8
105.05965	3.5
109.02843	7.0
113.02338	15.0
119.04899	8.3
129.35611	4.2
135.04445	4.5
141.01801	4.6
143.03395	4.5
151.00259	10.3
159.02904	4.0
161.04459	10.7
163.03937	5.5
173.04486	10.9
173.42197	3.7
178.99825	7.0
191.05550	35.3
191.10683	15.3
192.05902	4.8
202.45842	4.1
207.04944	3.9
243.02782	6.1
271.02432	35.4
294.04300	5.5
295.02493	4.1
299.01935	86.0
300.02863	10.7
301.03555	10.5
310.03616	4.8
313.03683	4.0
322.03436	4.9
324.05072	4.9
339.03812	28.8
340.04620	13.0
349.92465	4.0
403.32193	4.2
457.17053	25.2
462.07944	18.2
483.15262	4.1
501.14078	5.6
502.09937	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.98679	2.1
71.01251	33.4
71.58007	2.3
72.99187	3.9
73.02395	1.6
73.02815	32.0
75.00744	2.3
79.11040	1.5
81.03316	1.8
81.67247	1.2
83.01256	12.6
85.02827	10.9
87.00752	3.8
89.02324	11.6
90.04639	1.6
93.03313	3.1
95.01266	3.1
96.95877	18.2
99.00767	1.7
101.02316	35.1
109.02842	2.0
111.04412	1.7
113.02334	12.2
113.36964	1.4
119.03384	4.9
119.04900	4.8
121.02795	1.5
123.04396	1.6
130.08650	1.6
131.03389	2.3
134.03639	4.2
135.04442	1.6
136.01395	1.3
137.02304	2.2
137.05907	1.7
139.07513	3.1
143.03426	3.5
149.04584	1.8
151.07727	1.3
161.04439	5.8
163.03943	3.3
170.52602	1.2
173.04442	5.1
175.11203	4.7
179.05522	2.5
191.05519	22.1
191.10684	15.1
192.05823	2.4
207.04932	1.3
289.03787	1.4
299.10431	1.5
309.07822	2.2
311.11407	1.5
327.08533	2.4
353.16147	2.0
371.16843	2.0
379.16226	1.6
415.15903	3.3
441.12277	1.4
441.17636	8.8
457.17010	7.4
501.13998	2.3
514.08875	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	501.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85318	0.4
57.03327	1.0
59.01251	4.5
60.99181	1.3
67.01757	3.8
69.03323	1.0
71.01250	3.6
71.14760	0.8
73.02829	2.0
74.02350	0.4
81.03336	1.7
83.01270	0.7
83.04873	1.1
85.02816	7.9
87.00748	5.4
89.02319	0.7
91.16760	0.5
93.03337	27.3
94.03675	0.9
95.95345	0.5
96.95882	2.4
99.04428	1.0
101.02332	1.9
109.02820	1.3
111.04393	4.4
113.02341	0.8
119.04917	27.8
120.05267	1.0
122.03603	1.0
127.03915	1.3
129.01778	0.7
135.04413	0.5
137.02390	0.9
137.05968	0.6
143.04924	1.9
145.06471	0.9
155.03415	2.4
161.07109	0.8
162.07486	0.6
163.03923	15.9
164.04286	0.7
171.02942	0.5
171.04471	0.4
173.04474	21.9
174.04807	1.0
181.06351	0.4
182.07489	0.4
191.05539	100.0
192.05898	4.5
195.04382	0.7
209.05917	0.8
211.07587	1.0
223.07570	1.8
224.08328	0.7
235.07617	0.8
235.09814	0.5
237.09169	12.5
238.09686	1.7
239.10693	3.1
240.10875	0.6
253.08667	1.5
265.08664	1.1
283.09738	8.6
284.10104	1.1
327.08725	36.7
328.09036	3.7
337.09280	6.1
339.13855	0.9
415.16217	0.7
457.16095	7.0
458.16006	0.7
501.14038	19.0
502.14105	2.5
505.15625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.4
59.01252	20.8
60.99153	1.2
67.01759	4.4
67.56869	0.6
69.03317	1.7
69.46335	0.7
70.07822	0.8
70.08160	3.4
71.01263	9.8
73.02818	9.5
74.02337	1.2
75.59832	0.8
81.03330	1.3
83.01257	2.7
83.04889	1.4
85.02824	12.2
87.00747	7.0
89.02312	2.6
93.03336	32.7
96.95889	7.3
99.00745	1.0
99.04386	1.1
99.98008	0.7
101.02324	7.0
109.02844	1.7
111.04417	5.1
113.02301	3.0
115.03953	0.9
116.03420	2.4
119.04915	17.5
119.06207	0.8
120.05170	0.9
122.03638	3.2
127.03886	2.1
129.01863	1.0
131.04970	1.1
133.02856	1.0
133.06502	0.7
135.04480	1.0
137.02356	1.1
137.05975	1.9
143.04926	4.4
145.06439	1.0
155.03432	1.9
161.04576	1.2
161.05905	1.0
163.03922	10.5
165.05521	1.0
171.02977	0.9
173.03052	1.4
173.04469	16.6
177.09007	0.8
191.05540	100.0
191.10526	3.5
192.05873	4.0
201.09143	1.4
207.05034	1.3
211.07693	1.0
219.10150	3.7
223.07574	2.9
237.09221	2.5
237.95792	0.9
239.10699	2.5
265.08725	5.0
283.09720	1.3
289.20160	0.7
303.09052	2.3
309.07733	2.2
327.08734	21.0
328.09143	3.0
337.09381	3.0
415.16254	1.6
423.16537	0.9
447.80447	0.7
457.17068	21.0
458.17099	2.3
501.14011	16.3
502.14297	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	501.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
59.01240	2.5
60.99184	0.4
67.01769	0.8
69.03307	0.3
70.92573	0.8
71.01246	2.0
73.02829	0.6
81.03332	0.4
83.01256	0.3
83.04903	0.8
85.02818	10.3
87.00755	3.0
89.02284	0.3
93.03335	11.1
96.95891	3.1
96.99180	0.4
99.00729	0.3
99.04383	0.3
101.02358	0.5
109.02832	1.0
111.04389	2.1
113.02345	0.3
117.03355	0.4
119.04927	2.8
123.04343	0.3
127.03891	2.7
131.04900	0.9
133.02846	0.6
135.04425	0.4
137.02371	0.6
137.09016	0.3
143.04936	3.6
145.02814	0.7
155.03389	0.4
163.03917	1.6
171.02951	0.6
171.04344	0.4
173.04448	3.9
191.05528	100.0
192.05875	3.9
211.07565	1.8
223.07480	0.2
235.07625	0.7
237.09210	1.7
238.09621	0.3
241.22803	0.3
265.08691	5.5
299.38248	0.3
305.10547	1.3
306.02533	0.3
309.07571	1.8
327.08722	16.9
328.08997	1.7
457.17123	1.4
501.14020	8.3
502.14142	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	501.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82537	0.2
57.03309	0.4
59.01247	4.2
60.99162	0.5
61.98668	0.3
67.01767	1.1
69.03303	0.4
69.26031	1.2
69.26456	0.9
71.01244	2.1
72.99155	0.2
73.02800	0.8
79.95611	0.5
81.03330	0.7
83.01237	0.3
83.04878	0.8
85.02821	10.5
86.03168	0.3
87.00749	3.3
89.02325	0.3
93.03336	12.4
95.01254	0.3
96.95888	3.9
96.99189	0.4
98.95450	0.6
99.00758	0.3
99.04387	0.6
99.92440	0.8
101.02316	0.8
107.49974	0.2
108.02048	0.3
109.02846	1.2
111.04396	2.0
113.02279	0.6
115.00306	0.2
115.37669	0.2
115.91983	1.5
116.63614	0.2
116.92732	0.7
117.03402	0.4
119.04918	3.9
121.06481	0.3
123.04374	0.4
125.02386	0.3
127.03908	2.5
128.03374	0.3
129.01863	0.3
130.04118	0.5
131.04932	1.1
133.02869	1.1
133.06480	1.0
134.03625	0.5
135.04393	0.3
137.02335	0.5
143.03288	0.2
143.04935	4.5
144.05261	0.2
145.02821	0.4
145.06482	0.3
147.04471	0.2
155.03381	0.6
158.03603	0.2
159.04460	0.3
161.04462	0.3
163.03929	2.3
171.02852	0.9
171.04454	0.8
173.04472	4.9
173.09479	0.2
187.13150	0.2
191.05534	100.0
192.05876	3.8
207.04993	0.2
211.07568	2.1
219.10120	0.2
223.07530	0.4
235.07599	1.1
237.09206	1.8
239.10614	1.1
263.07199	0.2
265.08640	6.5
266.09177	0.6
277.07434	1.0
283.09924	0.4
289.05817	0.4
309.07663	2.4
315.60779	0.2
327.08719	22.6
328.09076	2.4
371.17068	0.2
397.98364	0.2
457.17316	0.7
465.08942	0.4
501.14133	15.7
502.14355	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	501.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90713	0.3
57.03325	0.5
59.01255	2.0
60.99177	1.8
67.01762	4.5
69.03327	1.1
69.23435	1.8
69.23866	1.1
71.01248	2.0
73.02775	0.3
81.03329	0.6
81.32558	0.3
83.04907	1.0
85.02347	0.2
85.02821	7.0
87.00748	7.4
89.91196	0.3
93.03334	32.7
94.03668	1.5
95.42997	0.3
96.95879	0.8
99.00773	0.9
99.04373	0.8
101.02314	0.4
109.02822	1.1
111.04397	5.1
113.02328	0.7
115.03876	0.4
117.03358	0.3
119.04914	15.1
120.05260	0.3
127.03902	2.2
129.01828	0.9
137.02325	0.6
143.04927	0.6
145.02824	0.7
155.03407	1.5
163.03918	8.1
171.02867	0.6
173.04463	17.2
174.04744	0.7
191.05533	100.0
192.05852	3.6
223.07532	2.3
237.09129	2.1
238.09743	0.4
239.10802	0.7
265.08643	0.4
270.29446	0.3
283.09741	1.2
284.26669	0.3
327.08728	3.5
328.08850	0.4
337.09183	3.2
338.09720	0.4
457.15027	8.6
458.15442	1.0
501.13980	13.2
502.14413	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	500.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.9
58.00475	1.0
58.02862	1.4
59.01250	100.0
60.01585	1.6
61.49554	0.5
68.83664	0.6
69.03346	1.2
70.87477	1.3
70.87789	0.7
71.01254	11.3
71.04887	10.9
72.99201	1.4
73.02810	4.1
83.01263	1.7
83.04919	1.5
84.04422	4.0
85.02804	5.4
87.00761	1.7
89.02311	5.0
90.68737	0.7
93.03347	2.5
95.01261	1.1
96.08074	1.1
96.95897	1.1
97.06462	5.8
99.00773	1.8
99.04404	2.0
99.71893	0.6
101.02316	8.5
109.02851	1.0
110.02357	0.7
111.04417	1.0
111.08054	1.3
113.02332	4.5
113.06018	0.7
113.09615	6.4
114.09120	0.9
115.07539	7.4
118.97965	0.6
119.03403	2.4
122.06010	0.9
123.08112	1.0
128.03423	9.0
135.04407	1.8
137.02353	1.0
137.09665	1.3
139.11194	3.4
140.10712	25.2
141.11046	1.2
143.03409	1.2
143.10707	2.1
149.02368	0.6
151.11310	1.1
153.19093	0.7
155.10686	1.7
161.04454	3.6
163.11259	0.8
165.12756	2.6
167.10693	4.7
173.04492	2.4
179.03304	0.7
180.13921	0.8
181.12273	1.5
182.15440	2.4
183.10205	2.5
183.13850	9.2
184.09706	3.1
185.11740	6.6
186.12241	0.7
191.05537	6.5
192.05887	1.4
192.13838	1.1
195.13831	4.2
199.13362	2.5
208.17003	4.2
210.14934	22.6
211.15274	1.0
211.17108	0.8
213.14902	1.7
225.11365	0.8
226.10873	0.8
227.12866	0.8
229.14420	0.8
243.12361	6.3
245.13943	9.9
252.15982	3.2
255.16035	3.1
270.17093	12.8
270.19824	1.2
271.17612	1.2
272.15085	1.9
273.17206	3.0
280.19168	0.7
314.16147	2.4
315.18115	21.6
315.21744	1.3
316.18561	1.2
338.20142	0.7
340.21274	5.0
341.21729	0.8
356.16473	0.7
358.22333	1.6
384.20499	0.8
397.26291	0.6
402.21262	2.6
424.10062	0.7
456.29630	1.0
479.98703	0.8
482.27460	0.7
500.28717	92.0
501.29285	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	500.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18563	0.5
51.28391	0.5
55.01753	0.9
57.03319	4.7
58.00483	0.8
58.02859	2.0
59.01250	100.0
60.01591	1.0
61.98700	1.2
71.01253	13.2
71.04891	11.9
72.01592	0.6
72.99194	0.9
73.02831	3.5
74.02365	1.2
75.60775	0.5
79.83645	0.5
81.03310	0.8
83.01262	1.1
83.04898	1.9
84.04426	4.0
85.02824	6.8
85.06480	1.2
86.02348	0.7
87.00752	1.0
89.02319	8.2
93.03352	2.4
95.01235	1.2
95.04917	0.8
96.08096	1.1
96.95901	0.9
97.06467	5.6
98.02336	1.3
99.00758	1.1
99.04416	1.5
101.02327	8.6
103.41721	0.6
109.02835	1.0
109.06493	0.7
110.05989	0.9
111.08053	0.9
113.02334	6.2
113.05988	0.9
113.09596	5.9
114.09123	1.1
115.00273	0.9
115.03939	0.9
115.07541	6.8
119.03392	3.3
122.05959	1.1
123.08006	0.9
125.02344	0.7
128.03433	10.7
135.04430	1.8
137.02339	0.8
137.09622	1.0
138.09171	1.1
139.11198	2.3
140.10709	22.1
141.09100	0.6
141.11105	0.8
143.03476	1.0
143.10646	3.4
151.11198	1.5
154.88226	0.5
155.10707	2.4
157.11043	0.6
161.02351	0.9
161.04442	4.2
163.11270	0.7
165.12753	3.3
167.10681	4.7
173.04543	3.1
179.05569	1.7
180.13811	1.0
181.12309	2.2
182.15439	4.5
183.10274	2.8
183.13799	10.4
184.09714	2.5
185.11757	9.3
191.05544	6.1
192.05904	1.4
192.13898	1.7
195.13826	3.4
199.13387	3.0
208.17036	5.3
210.14937	27.0
211.15201	1.9
211.17099	0.8
213.14941	1.9
225.11226	0.8
226.10849	0.8
227.12787	1.1
243.12341	7.5
245.13913	11.6
246.14218	1.4
246.64064	0.6
252.16129	3.1
255.16060	3.4
270.17123	12.2
270.19855	1.1
271.17422	0.9
272.15015	3.0
273.17160	2.1
297.17520	0.7
314.16205	1.9
315.18112	18.3
316.18451	2.0
322.19864	0.6
340.21292	5.0
356.17099	0.8
357.26556	0.9
389.41742	0.6
402.21313	2.3
439.53314	0.6
440.26160	0.6
456.29056	0.7
470.28064	0.7
482.27731	1.8
500.28671	94.1
501.17865	0.9
501.29251	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	497.196
Annotation	Conivaptan
Peak:m/z	Relative Intensity
57.03309	1.1
59.01245	6.8
61.98691	1.5
62.28788	0.6
67.01719	1.0
71.01251	2.0
71.13466	1.5
72.00774	0.8
72.04400	1.5
73.02812	1.0
74.02341	36.4
79.95602	4.0
85.02813	3.4
85.06426	0.6
87.00750	2.7
87.04396	1.1
93.03329	7.0
95.95132	1.4
96.95886	100.0
97.06459	1.2
101.02351	1.5
106.06526	0.9
108.02045	5.9
109.02833	24.4
111.04427	1.1
113.02335	1.0
113.05970	0.8
115.00179	0.7
115.07554	0.7
116.04942	10.0
116.47329	0.6
119.04917	0.9
121.02842	1.8
123.00806	0.7
123.04446	1.3
125.02322	0.6
127.03951	1.0
129.01819	1.0
130.06485	0.7
133.02888	1.2
134.03658	1.2
135.04417	2.1
137.02370	2.3
137.09656	1.3
138.39525	0.8
142.06467	3.0
149.02379	2.6
150.03152	2.4
152.01054	8.0
153.01836	26.1
154.02208	1.1
155.03378	1.1
155.10695	4.1
155.78867	0.7
156.10107	0.8
159.09222	2.9
167.07011	0.7
173.04469	9.9
173.05801	0.8
177.01927	1.1
178.02571	0.8
179.03470	2.4
182.15445	0.7
186.05447	0.7
189.04057	2.3
191.05545	14.8
192.05948	0.6
194.02205	0.8
199.09752	1.4
203.08192	32.2
204.08611	2.1
207.05113	1.1
251.73962	0.7
275.09451	1.1
288.18188	15.8
288.59644	0.6
289.18552	1.4
291.09085	0.8
293.10794	2.5
323.11578	2.4
373.24927	4.8
374.25613	1.0
417.23950	23.9
418.24521	2.7
465.14551	1.4
497.19922	94.3
498.20383	13.6
498.27255	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	497.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29927	1.5
57.03322	8.1
59.01252	45.7
61.07496	1.4
61.98693	4.8
65.03832	6.1
67.01759	4.1
68.64908	1.4
69.03306	4.4
71.01259	24.5
71.04851	1.4
71.58099	2.6
72.99165	5.7
73.02823	24.5
77.56699	1.8
78.95764	2.4
79.02935	1.4
81.03332	19.4
83.01257	6.5
83.04890	8.2
85.02823	62.6
87.00756	21.0
87.04382	2.0
89.02309	4.3
93.03333	6.9
95.01266	6.7
96.95889	5.4
97.02818	6.0
97.06430	1.6
99.00765	4.4
99.04397	12.1
101.02319	35.5
103.00261	11.6
107.04912	2.3
108.02052	8.3
109.02836	87.2
110.03172	3.3
111.04356	2.8
113.02321	5.8
119.04884	2.0
121.02881	2.1
123.04408	10.0
125.02324	4.7
127.03909	38.2
129.01845	17.3
131.03387	2.1
133.02852	10.6
134.03644	18.4
135.04443	17.2
135.08054	1.7
137.02313	7.0
137.09642	2.0
139.03891	3.2
143.03391	4.4
153.01784	5.7
153.05481	7.3
155.10715	7.0
161.02377	1.4
161.04430	1.8
162.03104	2.3
163.03951	1.6
171.02820	1.9
171.09998	1.7
173.04477	8.8
173.05779	1.6
177.01840	5.6
178.02606	21.7
179.03391	11.1
189.03976	95.7
190.04257	3.3
191.03928	1.9
191.05537	19.1
199.09708	5.7
200.10094	1.8
207.04948	7.5
231.10139	1.5
241.10707	3.7
256.91071	1.6
275.09280	5.2
301.12872	1.9
327.21628	1.5
368.07327	1.7
465.13977	100.0
466.14316	14.6
497.16605	77.5
498.16653	11.5
498.27255	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	497.1666
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
56.28733	0.3
57.03321	0.8
58.00471	0.3
58.68322	0.3
59.01251	3.3
61.98711	0.4
69.03323	0.9
69.32400	0.3
71.01250	1.8
71.35252	0.7
72.99173	0.4
73.02816	1.6
74.02342	0.6
81.03322	1.5
83.04868	0.4
85.02817	2.6
87.00753	0.6
87.04388	3.2
93.03337	1.2
95.01244	1.9
96.95882	2.4
97.02822	0.8
97.06482	0.4
99.04409	0.5
101.02322	1.0
108.02051	44.2
108.21202	0.4
109.02845	29.9
110.03161	0.9
111.08018	0.3
113.02304	1.0
116.04920	0.4
120.48402	0.3
121.02817	0.7
123.00755	1.2
123.04376	0.4
124.01571	0.4
125.02309	0.8
125.05999	0.4
128.47371	0.3
133.02811	0.3
135.00742	0.4
135.04398	1.0
135.08057	1.1
137.02361	0.6
137.09613	3.9
149.05989	0.4
150.03149	0.3
151.03897	0.6
152.01054	50.1
153.01846	21.4
154.02179	0.8
155.10684	16.0
156.11067	0.7
163.03856	0.9
163.11133	0.4
167.10706	0.4
168.00575	0.4
169.12257	0.6
170.59006	0.3
173.04544	1.5
177.01811	0.5
179.03383	0.3
179.10670	1.1
181.08624	0.8
189.03978	0.7
191.05539	1.5
191.10698	0.8
195.10168	0.8
199.09691	4.9
203.08191	0.7
207.04912	0.3
209.11858	0.3
213.11255	0.7
241.10767	1.3
255.12285	0.6
262.97952	0.4
283.11813	2.0
305.16949	0.3
323.11389	0.5
417.23834	0.5
447.07944	0.4
453.17722	5.9
454.17935	1.1
479.15561	0.6
497.16595	100.0
498.16965	14.0
498.27432	0.8
505.87808	0.4
506.44992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29927	1.5
57.03322	8.1
59.01252	45.7
61.07496	1.4
61.98693	4.8
65.03832	6.1
67.01759	4.1
68.64908	1.4
69.03306	4.4
71.01259	24.5
71.04851	1.4
71.58099	2.6
72.99165	5.7
73.02823	24.5
77.56699	1.8
78.95764	2.4
79.02935	1.4
81.03332	19.4
83.01257	6.5
83.04890	8.2
85.02823	62.6
87.00756	21.0
87.04382	2.0
89.02309	4.3
93.03333	6.9
95.01266	6.7
96.95889	5.4
97.02818	6.0
97.06430	1.6
99.00765	4.4
99.04397	12.1
101.02319	35.5
103.00261	11.6
107.04912	2.3
108.02052	8.3
109.02836	87.2
110.03172	3.3
111.04356	2.8
113.02321	5.8
119.04884	2.0
121.02881	2.1
123.04408	10.0
125.02324	4.7
127.03909	38.2
129.01845	17.3
131.03387	2.1
133.02852	10.6
134.03644	18.4
135.04443	17.2
135.08054	1.7
137.02313	7.0
137.09642	2.0
139.03891	3.2
143.03391	4.4
153.01784	5.7
153.05481	7.3
155.10715	7.0
161.02377	1.4
161.04430	1.8
162.03104	2.3
163.03951	1.6
171.02820	1.9
171.09998	1.7
173.04477	8.8
173.05779	1.6
177.01840	5.6
178.02606	21.7
179.03391	11.1
189.03976	95.7
190.04257	3.3
191.03928	1.9
191.05537	19.1
199.09708	5.7
200.10094	1.8
207.04948	7.5
231.10139	1.5
241.10707	3.7
256.91071	1.6
275.09280	5.2
301.12872	1.9
327.21628	1.5
368.07327	1.7
465.13977	100.0
466.14316	14.6
497.16605	77.5
498.16653	11.5
498.27255	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	495.2601
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
50.27889	1.2
57.03312	2.8
59.01250	100.0
60.01587	1.2
61.98697	3.9
69.03311	1.5
71.00889	2.2
71.01256	29.4
71.58772	1.8
72.99161	2.5
73.02820	17.4
78.95770	3.6
83.01260	7.6
85.02829	10.5
87.00739	3.3
89.02308	11.3
89.50674	1.3
93.03343	4.6
95.01274	2.8
96.95870	4.5
97.02831	1.7
98.37125	1.2
99.00750	2.5
101.02322	20.8
109.06452	1.4
113.02327	16.3
119.03371	4.3
125.02282	1.6
125.06001	1.6
131.32565	1.5
135.04443	2.9
137.02325	2.7
140.10683	1.7
143.03415	2.5
149.04485	1.7
149.05974	1.6
151.07524	9.3
152.08369	8.3
152.99469	3.7
161.04449	2.9
164.08305	1.8
165.09135	1.7
171.10280	2.1
173.04477	4.2
177.01851	1.4
179.03516	2.2
179.05515	2.0
191.05563	5.1
203.10707	2.8
209.11856	2.5
211.13293	2.3
217.12265	4.1
218.13094	1.8
243.68381	1.2
273.18597	4.0
291.19580	4.1
327.21689	3.4
380.72522	1.4
417.22897	1.9
435.23917	21.5
436.24106	3.9
438.22614	1.3
453.24850	20.9
454.39832	1.4
487.54929	1.4
487.62271	1.3
495.25800	24.6
496.16571	1.7
496.25586	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	495.26
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
51.72066	0.3
55.01753	0.6
57.03302	0.5
58.00468	0.7
59.01250	100.0
60.01579	0.9
61.98716	1.0
69.03326	0.8
69.27663	2.0
69.28087	1.8
71.01253	20.3
72.01588	0.4
72.99187	1.1
73.02817	14.8
83.01257	4.3
85.02824	4.7
86.35824	0.4
87.00761	1.1
87.04418	1.1
89.02316	8.6
89.02818	0.7
93.03344	0.5
95.01274	1.9
96.95917	0.7
98.19753	0.7
99.00774	1.0
101.02324	14.2
102.02658	0.4
107.14529	0.3
113.02328	13.7
114.02632	0.5
119.03410	2.8
119.04916	1.5
125.02350	0.8
125.05978	0.8
131.03395	1.2
135.04457	0.5
136.05206	2.1
137.02321	0.4
143.03445	1.6
149.04555	0.8
149.05991	0.7
151.07552	9.2
152.08340	11.2
153.08757	0.6
155.10695	0.6
161.04474	4.1
163.03917	0.6
165.09064	0.7
173.04498	1.0
176.94868	0.4
179.03485	0.7
179.05582	1.4
187.09627	0.4
191.05547	2.4
203.10757	1.4
215.10930	0.4
217.12233	1.8
218.13013	0.9
233.09322	0.4
251.57596	0.4
273.18716	1.3
276.21127	0.4
291.19754	1.0
301.16736	0.8
327.21841	0.5
391.01559	0.4
417.23090	0.4
435.23929	9.1
436.24487	1.1
450.98236	0.4
453.24979	6.0
454.25656	0.7
480.24396	0.4
495.19687	0.6
495.26089	6.1
496.26212	0.7
519.22565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.4
57.03323	5.1
58.00457	0.4
59.01248	100.0
60.01584	1.0
61.65413	0.4
61.98700	1.3
70.45594	0.4
71.01247	9.7
71.58689	0.6
73.02815	5.2
78.95774	0.5
83.01266	1.5
85.02815	3.5
87.00754	0.8
87.04385	5.4
87.91167	0.4
89.02318	3.6
90.50034	0.4
93.03292	0.6
95.01279	0.6
96.95904	1.6
97.02818	0.6
98.47478	0.4
99.04362	0.4
101.02316	5.7
103.03885	72.6
104.04215	1.4
107.24550	0.4
108.02031	1.5
113.02325	6.5
119.03394	1.3
119.04873	0.7
123.04362	0.6
125.39124	0.5
135.04398	1.3
135.38132	0.5
136.05199	0.8
143.03398	0.5
151.03917	0.6
151.07530	2.7
151.60486	0.4
152.01091	0.8
152.08342	6.5
161.04414	2.1
165.12500	0.4
173.04402	0.6
179.03334	0.6
191.05559	1.9
237.63432	0.4
296.11685	1.0
327.21622	0.7
358.26035	0.4
420.19214	0.7
435.23859	4.9
436.23901	1.2
453.25287	2.1
464.18036	2.0
495.18469	1.6
495.25107	0.7
496.19177	0.7
496.26132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.0
59.01253	34.7
65.00185	4.3
69.26726	15.9
71.01247	13.4
72.99179	2.7
73.02827	5.0
75.00766	2.1
80.96387	1.4
83.01257	3.0
83.04902	5.8
85.02813	7.0
87.00748	3.5
89.02322	4.4
93.03354	6.8
96.95863	8.0
97.02863	3.5
97.06460	1.9
98.20505	2.6
101.02324	7.9
107.01276	3.0
107.04904	1.2
108.02044	3.5
109.02850	3.5
111.00806	1.7
111.04427	3.1
113.02316	5.5
119.03349	1.6
119.04874	3.6
120.99545	3.3
122.03641	1.8
123.04399	3.3
124.01576	1.8
125.02344	4.4
127.03878	1.6
133.02910	1.7
135.04396	5.4
137.02341	3.4
139.07611	2.3
139.11215	5.2
140.11540	1.8
143.07027	1.8
151.00269	9.8
151.03906	2.3
152.01067	5.3
153.01869	2.1
155.10672	2.4
156.85049	1.6
161.04453	2.9
163.03915	2.8
163.11205	3.5
166.05037	5.6
173.04532	6.6
177.01854	2.5
178.99701	3.4
181.12218	3.5
183.10242	6.3
184.10530	2.6
191.05547	13.2
199.09578	1.8
209.11768	100.0
210.12068	8.8
225.11331	1.6
227.12856	20.3
228.13173	1.6
253.09285	17.2
253.17551	1.6
255.02866	1.6
259.15509	7.6
282.01630	2.9
282.51895	2.7
283.02408	3.5
291.02289	3.7
291.52618	2.3
292.02924	10.9
364.04953	3.3
373.05676	9.7
373.13681	1.8
375.04770	2.0
393.05222	1.7
393.55576	1.6
394.06152	22.3
403.04526	5.1
466.08475	2.1
495.23807	25.1
495.30920	2.7
501.20840	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	495.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03394	0.4
57.03322	3.8
59.01250	100.0
60.01584	1.2
61.98697	0.7
68.95909	0.5
71.01253	10.0
71.06565	0.5
71.06915	1.1
72.99185	0.8
73.02818	6.0
78.95779	0.5
83.01263	1.6
85.02818	4.1
87.00729	0.9
87.04385	7.1
87.83609	0.4
89.02307	3.9
93.03352	1.1
95.01270	0.9
96.95891	1.7
97.06419	0.4
99.00758	0.8
101.02309	5.1
103.03890	67.2
104.04207	1.6
108.02072	1.3
109.02821	1.0
110.48211	0.4
111.04502	0.4
113.02326	6.2
119.03362	1.0
119.04901	1.0
120.78123	0.4
125.02340	0.6
135.04437	1.0
136.05173	0.7
143.03395	0.8
149.04469	0.4
151.07561	3.0
152.01091	0.7
152.08331	6.7
153.01779	0.6
155.10608	0.6
156.97961	0.5
161.04486	2.0
163.03964	0.7
171.10034	0.5
173.04504	0.8
179.03302	0.5
179.05579	0.6
191.05510	1.7
198.66183	0.4
220.85231	0.5
273.18460	0.7
291.19601	0.5
295.10880	0.7
296.11334	0.8
307.17651	0.9
327.21432	1.2
337.70035	0.5
349.18607	1.0
403.14023	0.6
420.18890	0.9
435.23761	4.4
436.24066	0.8
453.24765	1.8
464.17902	2.0
495.18344	1.3
495.25012	0.7
496.25565	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	495.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35366	0.6
57.03297	3.0
59.01251	43.5
61.98699	3.8
69.03307	2.5
71.01252	8.6
71.57899	0.6
72.99155	0.7
73.02791	3.0
78.95774	10.4
83.01248	1.3
83.04897	1.5
85.02356	1.3
85.02822	15.1
87.00747	1.8
87.04377	2.2
89.02293	2.6
93.03336	4.2
95.01237	1.0
95.04869	1.3
96.95853	2.3
97.02805	2.1
97.06467	6.4
99.00787	1.2
101.02318	4.0
102.83778	0.7
109.02783	1.2
110.98407	9.0
111.04398	1.3
113.02318	3.8
118.74933	0.8
119.03413	1.3
123.04433	4.9
123.08002	1.2
125.02327	1.1
125.09566	1.6
127.11167	2.6
133.02835	0.9
133.60350	0.8
134.03635	0.7
135.04422	3.9
135.85912	0.7
137.02313	1.2
137.09583	2.8
151.00278	1.1
151.03831	0.8
153.05450	1.9
155.10655	1.7
161.04459	1.5
165.09126	0.9
165.12746	0.9
167.01022	3.0
167.14247	1.1
171.10185	30.9
172.10580	1.2
173.04431	4.8
177.01889	3.5
177.12749	1.6
179.03392	2.8
183.13824	6.9
184.14159	0.9
185.02106	8.6
185.11740	2.1
191.05528	15.4
193.12250	1.9
197.11636	1.0
199.13277	0.8
201.11206	1.4
203.10661	1.0
209.11728	2.4
211.13351	25.2
212.13666	1.8
213.05608	0.7
221.11749	2.5
229.14401	14.7
236.69882	0.8
239.12744	3.4
245.01634	0.8
247.13600	0.8
291.19724	4.1
309.20773	1.2
327.21762	100.0
328.22089	11.8
375.24005	0.9
405.22763	1.6
423.23694	1.2
434.28409	0.9
435.23245	1.8
435.28842	1.3
453.30017	0.9
467.00327	0.8
495.23715	67.4
496.24142	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	495.0777
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
59.01247	12.0
63.02275	2.8
65.00188	7.0
68.99691	2.5
71.01257	5.4
71.57719	1.6
71.58072	1.6
74.04637	1.5
75.00731	1.9
78.73730	1.7
80.64819	1.7
81.03358	1.5
83.01246	3.2
85.02863	1.9
87.00732	1.5
89.02316	3.7
93.03332	2.2
95.01254	4.9
96.95903	7.1
97.40589	1.6
99.00790	2.0
100.83680	1.4
101.02309	2.9
106.00490	5.8
107.01285	7.6
108.02061	3.3
109.02840	11.6
109.99948	4.3
111.00764	10.9
113.02289	1.7
120.99306	1.6
121.02850	2.6
123.00765	10.8
124.01549	4.5
124.98670	4.5
125.02333	7.7
133.02863	4.0
135.04350	1.7
136.98711	2.0
137.02318	2.2
139.00272	14.5
141.01787	3.7
143.04871	4.7
143.49638	1.9
145.02887	3.1
147.04422	1.6
148.01503	2.5
148.98798	1.9
149.02351	4.7
149.99481	4.1
151.00278	23.5
152.01027	7.2
153.01859	4.0
154.99748	6.0
155.10699	12.3
159.04459	9.9
161.02354	7.7
163.00304	5.6
163.03836	2.1
164.98219	3.3
165.01913	3.1
165.99068	2.5
166.99802	4.0
168.00557	4.3
169.01352	6.0
171.04428	6.2
173.02382	3.9
174.03093	2.5
175.03912	11.2
176.01042	2.0
177.01834	5.2
177.98985	10.5
178.99776	31.6
179.03375	1.7
180.00450	2.6
181.01294	1.9
185.02423	2.2
187.03938	13.2
189.01854	6.5
190.02690	4.6
191.03380	3.3
191.05547	4.8
192.00562	3.1
194.99326	3.7
195.99870	2.0
197.02321	2.2
198.03160	2.6
199.03963	7.7
199.09711	5.1
201.01874	6.7
202.02550	2.2
203.03398	14.5
204.04054	2.0
205.01381	3.9
206.99211	3.0
207.02945	2.7
208.00110	2.2
209.00803	3.9
213.01894	3.0
214.02547	2.4
215.03500	11.8
216.04065	2.1
217.01408	3.7
217.04970	2.4
219.02933	5.3
222.98769	4.1
227.03305	1.9
229.01407	4.0
230.02130	2.7
231.02986	13.4
232.03703	15.6
233.00844	2.7
233.04376	10.6
241.01347	3.5
242.02159	4.1
243.02985	17.7
244.03360	2.3
245.00822	3.5
245.04550	3.1
247.02409	5.8
257.00836	1.9
258.01605	4.2
259.02444	12.5
260.03113	7.4
261.04053	4.9
269.00949	4.2
271.02469	39.5
271.05453	2.3
272.02893	4.0
282.42621	1.9
286.01184	6.0
286.98734	2.9
287.01962	59.8
288.02625	14.8
289.03510	6.4
297.00424	5.4
299.01938	31.5
300.02463	6.0
301.03595	2.1
303.01501	5.6
304.02109	3.2
305.02847	2.5
314.00513	4.6
315.01453	100.0
316.01730	10.3
317.02908	1.9
332.01694	22.6
333.02441	16.7
343.06519	2.3
359.06070	2.8
395.09790	10.0
396.10101	1.9
423.09512	3.5
451.08752	5.4
462.08005	7.3
467.08240	3.9
477.06668	8.1
495.07773	69.3
495.20313	14.8
496.07770	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	493.2291
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
55.01754	0.8
57.03320	1.8
58.00439	0.3
59.01250	100.0
60.01585	1.0
69.83517	1.8
71.01254	9.2
73.02814	4.0
75.00738	0.8
78.21783	0.4
78.48126	0.3
83.01241	2.2
85.02827	5.9
87.00759	0.8
87.44797	0.3
89.02324	1.2
91.90184	0.3
95.01270	0.7
96.00822	0.7
96.95896	0.7
97.06466	0.7
99.00774	1.5
99.04399	1.9
101.02316	10.0
108.61834	0.3
109.06503	0.6
110.02383	0.6
113.02318	4.0
118.06493	0.4
119.04906	0.9
120.99579	0.5
137.15233	0.4
143.03406	0.6
155.10670	1.5
159.02888	1.0
161.04453	4.1
164.07030	0.6
165.12755	1.1
166.04926	0.5
167.10693	0.4
183.10155	0.7
189.12729	1.2
191.05472	0.5
199.09731	0.4
205.07054	0.7
207.13809	2.1
209.11743	5.6
210.12138	0.4
223.08182	7.8
224.08589	0.5
225.14861	4.3
227.12840	24.0
228.13097	2.1
234.64651	0.4
251.12759	0.5
255.23238	0.4
265.09293	3.1
269.13910	1.9
414.16663	1.3
457.20779	0.5
475.21808	9.7
476.22122	1.3
493.22913	67.4
494.23251	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	493.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03826	0.7
57.03315	3.1
57.96686	0.6
59.01250	73.9
61.98698	2.0
69.03314	1.0
69.57492	5.2
71.01257	12.9
72.99162	1.6
73.02816	7.0
74.98981	2.2
75.00723	1.1
83.01259	2.4
83.04893	1.1
85.02828	7.3
87.00749	2.2
87.04392	1.1
89.02318	4.8
93.03307	1.6
95.01250	1.0
96.95874	5.2
98.20479	1.5
98.95449	1.3
99.00762	2.2
99.04377	1.0
101.02322	10.1
105.05438	2.5
109.02840	3.9
109.06472	1.0
111.04344	1.0
111.69141	0.7
113.02321	5.0
118.97993	5.6
119.03397	1.7
119.04908	2.3
120.99529	1.4
121.02843	1.7
122.05984	1.0
123.04382	1.9
124.01562	1.1
125.02319	2.1
134.06018	2.0
135.04387	3.2
137.02281	1.1
137.05974	6.4
137.09613	1.0
139.11188	27.9
139.50262	0.7
140.11549	1.5
143.03355	1.0
151.00278	0.8
152.01053	1.7
153.01817	2.1
155.02290	0.9
161.04471	3.5
163.11203	1.6
165.09042	0.9
167.03427	4.6
168.00537	1.6
169.12285	0.8
173.04495	2.2
179.03375	1.1
181.04965	11.5
181.12273	8.9
183.10185	39.5
184.10516	2.4
191.05560	3.4
207.60608	0.7
215.41968	0.7
225.11333	4.7
236.38570	0.7
243.12328	3.2
249.09677	1.3
255.11331	1.9
267.10962	3.1
287.01996	1.2
292.58646	0.9
296.05267	0.8
311.07651	13.1
312.08087	1.6
331.08426	0.9
331.12766	0.9
373.22107	0.9
402.18274	2.7
433.20648	1.0
433.28033	2.3
439.12625	0.9
451.29337	0.9
462.20206	3.0
475.21802	7.4
478.30530	0.8
493.14047	3.6
493.22897	100.0
494.16525	0.9
494.23303	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	493.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.5
57.03326	2.6
58.00455	1.3
59.01252	100.0
61.98695	3.7
69.03350	1.7
71.01254	31.8
71.57292	1.6
71.57693	1.6
72.99197	3.6
73.02822	32.1
74.98983	1.5
75.00738	1.9
78.95786	1.5
83.01265	7.4
83.04893	1.4
85.02814	11.5
87.00763	4.6
89.02319	7.7
93.03324	3.0
95.01266	2.5
95.04899	1.3
96.95887	13.6
97.02839	1.3
99.00758	1.7
99.04402	2.1
101.02320	19.9
109.02840	1.5
111.08072	3.2
113.02328	8.3
118.97991	3.1
119.03359	1.7
119.04945	2.3
122.06004	2.0
123.04378	2.1
125.02297	2.3
125.06019	1.9
127.03904	1.7
131.03328	1.5
135.04385	2.9
139.11209	13.9
143.03444	1.7
151.00345	1.6
155.03404	2.1
155.10678	4.3
161.04538	4.9
165.12749	6.9
167.03423	2.6
173.04520	4.4
181.12302	5.3
183.10197	19.2
183.13866	11.5
184.10429	1.5
188.04977	1.3
191.05513	6.7
209.11835	3.3
217.10924	1.4
225.11359	2.2
227.12842	40.4
228.13191	2.7
232.15681	1.7
243.12213	1.4
245.13882	2.1
267.10995	2.1
285.04077	2.0
287.02063	4.7
313.03467	1.8
330.03876	3.9
403.15231	1.9
407.19135	3.8
408.19949	1.5
431.30600	1.6
433.20380	7.7
433.28601	1.6
449.20270	65.0
450.20804	8.8
451.21759	3.5
474.89728	1.5
475.21875	5.3
493.10077	10.6
493.17575	2.8
493.23123	60.2
493.30365	12.0
494.10641	2.2
494.23813	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	493.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98253	2.2
55.94984	2.4
57.03310	4.3
59.01249	47.6
65.19548	2.4
66.61154	2.2
70.84743	5.7
70.85102	4.6
71.01254	33.0
72.99181	100.0
73.02807	3.3
75.00716	2.6
81.03329	10.7
83.01260	3.3
85.02820	9.1
89.02322	24.0
96.95870	3.9
99.04384	10.3
101.02314	24.9
113.02342	14.8
119.03407	16.2
119.04090	3.0
121.06496	2.5
140.07062	7.1
140.69533	2.6
143.03365	3.2
161.04453	5.2
171.91560	2.3
175.68523	2.2
179.05450	2.6
224.96010	2.2
231.49330	2.7
315.85699	2.5
473.67432	2.4
475.18176	4.5
493.19482	23.6
494.19229	3.6
510.80786	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	492.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.7
59.01252	2.0
64.27967	0.2
66.07935	0.2
69.24889	2.3
71.01257	0.4
72.78754	0.2
72.87460	0.3
78.95775	13.0
82.35899	0.2
83.04878	0.4
89.12946	0.2
93.03346	0.3
96.95910	0.3
96.96825	0.4
97.06482	0.5
98.20499	0.5
99.08029	0.3
108.32484	0.2
113.09603	2.0
121.99986	0.3
125.09624	0.3
140.01089	3.4
150.43674	0.2
152.99461	1.8
169.12357	0.3
171.00511	1.1
171.10172	1.1
177.12756	0.5
179.14322	1.4
181.12248	0.6
195.13837	15.9
196.03752	1.5
196.14171	1.0
209.11766	1.7
214.04788	4.1
233.93184	0.3
247.13289	0.4
251.23703	0.4
251.60205	0.2
277.21719	15.4
278.22076	1.6
293.21164	0.3
295.22772	100.0
296.23099	11.0
325.23801	0.5
327.28503	0.2
434.22708	0.2
475.26785	0.6
492.27313	25.1
493.27628	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	492.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	13.0
71.01254	6.1
71.05804	2.2
73.02803	1.3
85.02830	2.0
85.17662	0.9
89.02309	5.9
91.26344	0.9
96.95882	1.1
101.02322	2.0
113.02319	1.6
123.03138	6.2
125.02293	2.2
128.03458	2.0
131.03413	2.0
136.78471	1.1
138.05504	100.0
139.05844	4.0
146.04536	1.0
149.04462	2.9
154.20186	1.2
180.06459	1.7
191.05522	2.5
193.91145	1.1
197.11986	1.0
293.08734	3.9
432.15115	30.8
433.15372	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	491.3013
Annotation	Lemnabourside C
Peak:m/z	Relative Intensity
50.43169	0.6
53.91547	0.7
59.01249	2.2
72.07968	0.7
73.16214	1.0
77.03874	0.8
78.95765	1.4
95.04921	1.7
99.08067	2.6
105.03352	8.3
115.08662	1.4
117.03345	0.8
121.02884	1.0
123.04395	1.5
132.02087	1.4
133.02846	35.9
134.03679	5.2
135.04410	5.2
137.02364	2.8
139.11212	2.7
147.04434	0.8
148.05208	4.4
148.06223	0.7
152.99478	1.4
160.01601	2.9
161.02348	7.8
161.06023	2.1
175.03920	3.9
177.01880	3.2
178.02641	3.9
179.03442	2.3
180.02098	0.7
193.05063	1.5
229.37816	0.9
233.08243	2.3
247.09819	2.4
248.52110	0.8
263.20108	5.6
275.12936	1.8
289.14523	3.9
309.10342	1.1
318.14783	3.0
319.15488	8.7
329.17581	5.9
333.17224	2.7
345.17285	1.3
347.18707	1.0
357.17194	3.0
358.17841	1.5
359.18814	0.9
373.20483	3.3
375.18045	5.1
376.18683	1.1
377.19809	0.9
391.21307	2.6
409.19125	1.7
476.28058	2.1
477.29010	0.8
491.30374	100.0
492.30984	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	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
58.00491	0.2
59.01249	4.2
70.05811	0.3
70.06182	0.6
71.01251	4.3
72.99166	0.2
73.02816	0.8
83.01250	0.5
85.02813	0.9
87.00742	0.4
89.02313	3.4
91.03887	0.3
94.40628	0.1
95.01254	0.3
97.02811	0.3
99.00791	0.2
101.02319	4.0
103.03875	0.1
111.00798	0.1
113.02327	1.7
119.03414	0.8
123.03764	0.1
125.02338	0.3
133.04987	0.3
143.03444	0.2
157.04941	0.1
161.04477	1.4
179.05501	0.3
202.70081	0.2
231.17390	0.1
235.08249	1.5
237.22113	0.1
253.09273	13.1
254.09706	0.6
255.23273	100.0
256.23618	9.5
453.80243	0.1
491.27127	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	491.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29605	0.3
55.01759	0.9
56.58021	0.3
56.78526	0.3
57.03323	1.1
58.00467	0.4
59.01252	100.0
60.01576	1.4
68.99709	0.4
69.03329	1.1
69.33031	1.6
69.33435	0.9
71.01255	14.8
71.04905	0.5
71.60492	0.3
72.99186	0.9
73.02820	4.8
74.98965	0.4
75.00729	0.4
82.47585	0.3
83.01252	3.6
84.02039	0.3
85.02825	8.2
86.00026	0.3
87.00765	1.2
87.04398	2.2
89.02329	2.9
93.03362	0.7
95.01247	1.4
96.95882	2.1
97.02836	1.1
98.20565	0.6
99.00772	2.5
101.02321	11.2
101.05964	0.4
111.00780	1.0
113.02335	9.3
114.02673	0.4
115.03928	0.6
117.05511	1.3
118.98008	1.2
119.03426	0.8
120.99518	0.5
125.02350	1.5
129.01826	0.3
131.03389	0.3
131.07030	0.6
134.03682	0.3
135.04454	0.9
139.11240	0.8
143.03427	1.7
147.04503	0.4
155.10722	0.6
159.02940	1.2
161.04468	4.7
163.03975	0.7
173.04485	0.8
179.03435	0.3
180.06534	0.3
183.10196	1.2
191.05571	1.7
203.67419	0.3
208.90248	0.3
227.03488	0.9
228.03888	0.6
229.03958	0.5
240.02423	0.5
251.20102	0.4
255.03107	1.0
256.03381	0.9
257.03775	1.1
269.17572	7.9
270.18033	0.7
284.03363	0.9
285.03711	1.7
286.03922	1.4
287.04587	0.7
287.22275	2.7
329.23486	0.4
371.20673	0.5
385.23703	0.5
389.21936	0.4
395.24234	0.5
413.25345	1.5
431.26544	26.0
432.26797	3.0
449.27576	15.1
450.27701	1.9
491.10718	2.7
491.24280	4.3
492.25055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25436	0.3
55.01767	1.1
57.03323	1.9
58.00468	0.8
59.01252	100.0
60.01588	1.7
61.98699	0.3
67.01797	0.3
69.03327	1.5
71.01255	15.8
71.11771	0.4
71.12085	0.5
72.97416	0.4
72.99195	1.0
73.02819	6.9
75.00758	0.4
81.03365	0.4
83.01267	4.2
83.04932	0.3
85.02821	9.0
85.90139	0.4
85.99984	0.6
87.00763	1.2
89.02312	3.6
93.03356	0.9
95.01286	1.4
96.95895	1.8
97.02853	1.1
99.00761	2.5
99.04419	0.6
101.02325	13.1
111.00800	1.3
112.01579	0.3
113.02329	9.0
115.03893	0.5
117.05409	2.0
118.97993	0.8
119.03401	1.2
119.04964	0.5
124.01506	0.3
125.02341	1.4
125.09590	0.4
129.01875	0.6
131.03464	0.3
134.03580	0.4
135.04439	0.7
137.09625	0.4
141.01895	0.3
143.02406	0.4
143.03392	2.3
149.04457	0.7
153.09126	0.9
155.10698	1.6
159.02905	1.1
161.04463	5.8
163.03780	0.4
173.04503	0.7
179.03354	0.4
179.05573	1.0
191.05598	1.3
199.09592	0.5
209.15407	0.6
212.86449	0.3
269.17743	2.1
269.20251	0.3
274.75189	0.4
287.22299	1.8
371.20563	0.6
371.24780	0.6
383.24277	0.5
395.24347	0.7
413.25540	3.0
431.26575	27.6
432.27072	4.2
449.27557	17.5
450.27902	2.2
491.11200	0.8
491.21625	0.4
491.27646	1.3
492.25922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2659
Annotation	Mucronine B
Peak:m/z	Relative Intensity
54.46386	0.3
66.03355	1.5
71.02380	3.5
82.01600	0.7
83.02379	0.5
97.00334	0.5
98.01111	0.7
99.01860	0.6
110.03493	1.1
111.01871	1.1
113.07090	0.5
115.08656	13.6
116.04966	1.8
118.06509	3.5
120.42388	0.3
125.07071	3.0
126.05500	1.6
137.07054	0.4
141.06596	5.2
143.08191	0.4
146.06018	9.4
152.05809	0.5
152.08179	1.1
152.92679	0.3
153.06583	1.2
153.08955	0.4
154.07285	0.7
157.05150	0.7
157.07608	0.5
163.08687	1.4
167.11780	0.5
168.07672	1.0
169.13394	0.6
170.09283	3.5
171.10101	0.4
173.07132	1.2
174.05551	0.8
179.11813	4.3
184.11205	0.4
187.83211	0.4
189.06747	0.5
190.18288	0.3
194.12909	1.0
196.14442	0.9
197.08018	0.4
197.12830	0.7
200.10738	1.8
201.06549	0.5
202.12292	0.8
214.15518	5.0
216.07707	0.6
217.13402	1.5
224.14099	0.5
226.10980	0.4
227.11789	2.8
228.10271	2.7
228.12141	0.4
232.06369	0.4
240.07741	1.1
240.13405	0.7
244.14473	0.6
245.12921	3.4
248.10750	0.6
262.15576	3.4
269.16156	1.2
272.37228	0.3
276.10080	0.7
299.17679	0.6
310.15714	0.5
316.20142	0.5
326.18719	5.8
327.19067	0.8
344.19720	3.0
345.20169	0.5
491.26617	100.0
492.26962	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	491.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79432	0.7
57.03314	0.8
59.01250	100.0
60.01577	2.2
61.01677	1.2
71.01251	12.4
71.37621	2.0
72.99181	4.0
73.02814	3.9
81.03310	1.0
83.01269	1.2
83.04881	0.9
85.02814	4.8
87.00759	2.6
89.02314	4.2
93.03338	3.4
96.95877	8.7
97.06425	0.9
99.00782	1.0
101.02325	8.0
113.02334	4.8
115.00238	1.6
119.03374	2.0
125.02336	1.8
133.01292	1.2
133.42964	0.8
134.06021	1.6
135.04387	1.9
139.07607	0.8
143.03391	1.1
153.05479	0.8
160.01445	0.9
161.04478	3.1
173.04474	3.3
175.03903	1.4
191.05530	4.1
265.12381	1.1
303.09036	1.7
341.14236	1.3
357.14426	1.0
371.20688	5.1
389.21783	4.0
401.16461	2.1
431.23099	5.3
432.23077	1.2
447.20328	2.4
491.30505	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.6
59.01252	100.0
60.01597	1.1
61.98698	0.8
67.91395	0.5
69.67391	1.0
69.67800	2.6
71.01256	12.1
72.99199	0.9
73.02818	14.5
74.98974	1.3
83.01256	5.3
83.04896	0.6
85.02840	2.0
87.00771	1.2
87.04413	0.7
89.02328	3.5
95.01255	0.8
95.04955	0.7
96.95895	6.6
97.02803	0.7
97.06491	2.5
99.00819	0.8
101.02322	13.9
101.05933	0.5
108.02073	2.5
109.02852	2.5
109.06514	0.6
111.00810	0.5
113.02341	5.8
118.97980	5.0
119.03423	2.7
119.04945	1.2
119.65756	0.5
121.28533	0.6
123.04435	2.1
123.08035	0.7
131.03406	1.3
134.03674	2.5
135.04416	24.6
135.98248	0.6
136.04774	1.3
139.11174	0.6
141.05505	2.1
143.03433	1.9
149.04492	3.3
151.00290	0.9
152.01024	3.1
153.01877	1.6
153.09122	4.4
155.03398	0.7
155.10736	0.6
158.03558	0.5
160.01576	0.6
161.04494	5.6
163.03954	0.6
163.07581	0.5
173.79855	0.6
179.03424	25.3
180.03830	1.6
181.05170	0.6
187.03912	0.9
191.05571	2.3
193.05031	2.3
201.01701	0.6
202.02672	0.9
203.03523	0.6
203.05550	1.0
209.07573	0.6
209.15392	4.7
214.02740	1.7
215.03532	1.0
221.06766	1.8
229.01437	1.0
241.01448	1.6
242.02213	1.9
243.02829	1.2
245.01253	0.6
246.01718	0.5
257.00897	1.3
258.01898	1.3
259.02618	0.9
286.01154	5.5
287.01929	4.1
311.07593	0.8
329.10764	0.9
371.20786	1.4
417.17780	0.7
431.22543	4.1
468.14944	0.6
491.08820	5.8
491.13989	0.8
491.21970	6.5
491.28781	3.4
492.09305	1.1
492.29123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40841	0.9
55.01756	1.2
57.03318	3.4
58.00458	1.2
59.01250	87.6
60.01573	1.3
61.98704	1.3
69.03317	1.1
70.09682	1.0
71.01254	13.4
71.57974	1.6
71.58378	1.0
72.04435	0.9
72.99191	2.9
73.02832	5.8
74.98975	1.3
79.66764	0.9
83.01249	2.2
85.02832	8.4
87.00738	2.2
87.04397	3.4
89.02306	3.5
91.01769	0.9
93.03335	1.1
95.01294	1.1
95.04857	1.4
96.95889	31.1
99.00755	1.2
101.02313	7.5
103.03885	1.5
107.04938	1.7
108.02057	2.7
109.02836	3.9
113.02328	5.7
118.97959	7.2
119.03391	2.2
119.13117	1.0
121.06483	0.9
123.04415	2.2
125.02390	1.3
133.02824	1.0
134.03636	4.1
134.05978	1.1
134.81352	1.0
135.04416	96.3
135.98257	2.1
136.04774	4.5
137.02332	1.3
137.09633	2.2
139.07607	1.1
139.11182	19.7
140.11601	1.0
151.00352	1.9
151.11238	1.0
152.01006	3.0
153.01819	2.4
155.10657	3.2
161.02269	1.9
161.04471	2.1
163.03793	1.2
163.11226	1.4
165.09137	1.4
167.03419	9.0
169.12262	6.6
173.04477	1.9
179.03412	27.0
179.10706	3.7
180.03816	1.3
181.11003	1.1
181.12291	12.7
183.10181	26.8
184.10461	1.2
191.05527	3.5
193.05049	2.4
195.13869	2.0
197.11784	3.8
199.09753	1.3
199.13295	4.4
225.11273	28.8
226.11560	1.5
230.93260	1.0
240.24405	1.1
243.12341	24.3
246.32829	1.0
267.12265	2.0
269.17639	2.6
285.13437	12.6
286.13470	1.1
287.01883	1.1
292.78906	1.0
296.05490	1.3
311.07703	34.5
312.08060	3.7
329.10559	1.7
345.15482	4.2
371.20276	1.1
399.54388	1.3
405.17731	1.4
431.18997	5.8
431.26413	4.2
447.12851	4.0
449.27155	1.5
473.20087	4.8
491.21335	100.0
492.21677	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	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.6
57.03316	2.3
57.54537	0.9
58.00471	1.1
59.01249	88.5
60.15352	0.8
69.03339	1.3
70.13914	3.3
71.01250	24.4
71.04919	1.4
72.99194	1.0
73.02814	11.2
74.98941	0.8
83.01256	5.2
85.02817	10.7
87.00738	5.0
89.02315	7.1
93.03342	1.1
93.29269	0.8
95.01263	1.9
96.95888	3.8
99.00755	2.2
99.04358	0.8
101.02321	13.9
107.01254	0.8
109.02818	1.1
111.00687	1.0
113.02325	9.5
118.97973	2.6
119.03394	1.4
119.04916	4.1
120.99485	1.1
123.08134	0.8
125.02374	2.0
125.09589	1.3
127.03965	0.8
129.01816	0.7
135.04440	2.4
137.02339	1.3
140.72977	0.8
143.03369	1.8
155.10721	1.0
161.04498	1.7
163.03905	3.0
171.10277	0.9
173.04425	1.7
179.03453	1.2
187.09628	0.9
191.05501	3.0
197.11812	0.8
207.05032	6.9
220.32599	0.8
225.14931	9.5
226.15097	0.9
242.92075	0.8
243.15973	12.9
272.82324	1.0
287.22159	1.4
290.31604	0.8
304.64261	0.8
373.25943	1.3
387.20212	9.0
405.21289	47.8
406.21426	4.8
431.26556	7.5
432.12149	1.5
432.40546	0.8
447.22333	100.0
448.22696	12.2
449.27686	6.0
450.27664	1.0
491.24326	2.5
491.28314	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	491.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73154	0.1
51.62751	0.1
57.03312	0.3
57.89939	0.1
59.01249	4.5
71.01251	1.0
71.04896	0.1
71.57523	0.2
72.99166	0.1
73.02824	0.2
74.98972	1.4
75.07510	0.1
83.01250	0.2
83.96977	0.1
85.02825	0.4
87.00732	0.2
87.04369	0.1
93.03300	0.9
95.04894	0.2
96.95898	0.4
97.06464	0.1
101.02319	0.6
108.78484	0.1
113.02332	0.2
117.03335	0.3
118.97980	11.0
119.04913	100.0
119.98328	0.2
120.05244	4.8
120.99487	0.3
133.06525	0.2
135.04382	0.4
137.02376	0.1
139.11156	0.2
140.05978	0.1
163.03915	83.0
164.04253	4.3
173.04491	0.6
180.06578	0.2
185.11783	0.2
191.05510	0.9
209.11938	0.2
307.08243	0.4
329.17624	0.2
371.24301	1.0
373.26019	0.8
382.61096	0.1
403.21313	0.2
431.26373	0.5
449.27304	0.5
491.18835	0.5
491.29669	0.9
492.29282	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	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10051	0.8
55.01765	1.0
57.03323	1.4
59.01250	38.1
59.72288	0.7
60.01572	1.0
61.98711	1.4
65.11040	0.7
69.52084	2.8
69.52510	2.8
71.01251	7.1
71.45676	0.7
72.36554	0.7
72.99204	1.9
73.02489	0.6
73.02808	4.1
74.02311	1.0
74.53432	0.6
74.98964	1.5
75.00755	1.1
81.03337	1.1
83.01254	1.0
83.04933	1.0
85.02832	3.8
87.00752	1.9
87.04391	1.3
89.02314	2.0
93.03359	2.1
95.01282	1.0
96.95888	6.9
97.06502	0.8
98.02355	0.8
101.02335	4.7
101.02893	0.8
107.04937	1.4
108.02052	31.1
109.02847	20.0
113.02354	3.9
114.98531	0.9
115.92004	0.8
117.03323	1.0
118.97968	4.1
119.04969	1.0
120.99535	1.8
123.00763	1.0
123.04434	2.3
125.02386	1.1
132.02080	3.2
133.02843	3.6
134.03650	7.8
135.04417	100.0
135.98296	1.7
136.04735	3.9
136.07509	1.0
136.17172	0.7
137.02365	1.1
137.09637	1.0
151.00345	1.1
151.04007	1.1
152.01054	36.5
152.87680	0.8
153.01848	19.6
153.09096	0.9
155.10661	2.6
160.01567	14.5
161.02348	9.5
161.04462	1.1
167.03430	1.7
167.10715	1.0
173.04500	2.0
175.03908	12.6
176.04369	0.8
179.03415	83.7
180.03787	3.4
181.05121	1.0
181.12332	1.1
191.05530	4.4
193.05026	3.2
195.10045	0.9
199.09731	2.0
227.03622	1.0
228.04141	1.3
237.98213	0.7
255.03122	1.3
256.03253	0.9
257.03552	1.5
267.15845	0.9
268.16476	0.8
284.03214	2.0
284.06787	0.7
285.03796	1.8
286.04013	1.6
297.06259	2.5
297.12234	0.9
311.07700	3.5
315.07272	9.5
316.07446	0.8
322.01428	0.7
323.07727	2.6
337.09268	0.9
431.26401	2.2
447.12784	1.1
447.22290	1.3
459.09805	1.0
464.27710	0.8
491.11868	48.2
491.22589	5.3
491.28510	5.2
492.12201	6.6
492.18076	1.2
519.60358	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	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10051	0.8
55.01765	1.0
57.03323	1.4
59.01250	38.1
59.72288	0.7
60.01572	1.0
61.98711	1.4
65.11040	0.7
69.52084	2.8
69.52510	2.8
71.01251	7.1
71.45676	0.7
72.36554	0.7
72.99204	1.9
73.02489	0.6
73.02808	4.1
74.02311	1.0
74.53432	0.6
74.98964	1.5
75.00755	1.1
81.03337	1.1
83.01254	1.0
83.04933	1.0
85.02832	3.8
87.00752	1.9
87.04391	1.3
89.02314	2.0
93.03359	2.1
95.01282	1.0
96.95888	6.9
97.06502	0.8
98.02355	0.8
101.02335	4.7
101.02893	0.8
107.04937	1.4
108.02052	31.1
109.02847	20.0
113.02354	3.9
114.98531	0.9
115.92004	0.8
117.03323	1.0
118.97968	4.1
119.04969	1.0
120.99535	1.8
123.00763	1.0
123.04434	2.3
125.02386	1.1
132.02080	3.2
133.02843	3.6
134.03650	7.8
135.04417	100.0
135.98296	1.7
136.04735	3.9
136.07509	1.0
136.17172	0.7
137.02365	1.1
137.09637	1.0
151.00345	1.1
151.04007	1.1
152.01054	36.5
152.87680	0.8
153.01848	19.6
153.09096	0.9
155.10661	2.6
160.01567	14.5
161.02348	9.5
161.04462	1.1
167.03430	1.7
167.10715	1.0
173.04500	2.0
175.03908	12.6
176.04369	0.8
179.03415	83.7
180.03787	3.4
181.05121	1.0
181.12332	1.1
191.05530	4.4
193.05026	3.2
195.10045	0.9
199.09731	2.0
227.03622	1.0
228.04141	1.3
237.98213	0.7
255.03122	1.3
256.03253	0.9
257.03552	1.5
267.15845	0.9
268.16476	0.8
284.03214	2.0
284.06787	0.7
285.03796	1.8
286.04013	1.6
297.06259	2.5
297.12234	0.9
311.07700	3.5
315.07272	9.5
316.07446	0.8
322.01428	0.7
323.07727	2.6
337.09268	0.9
431.26401	2.2
447.12784	1.1
447.22290	1.3
459.09805	1.0
464.27710	0.8
491.11868	48.2
491.22589	5.3
491.28510	5.2
492.12201	6.6
492.18076	1.2
519.60358	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	490.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72334	0.3
57.03319	3.9
59.01246	2.9
69.49657	1.0
69.50084	1.4
71.01274	0.4
78.95773	6.3
93.03348	0.5
97.06479	0.9
109.06480	0.6
113.09605	16.5
114.09951	1.0
120.62806	0.3
135.11679	0.5
139.11191	1.4
140.01079	2.5
141.09135	0.3
149.09656	0.7
152.99469	0.9
167.10658	2.5
171.10204	0.9
173.04434	0.4
177.12743	0.6
179.10664	1.9
191.05562	0.7
195.13802	2.5
195.17368	0.5
196.03735	1.6
209.11774	1.1
214.04797	4.8
217.12334	0.4
228.04042	0.4
231.88004	0.3
248.39880	0.4
249.22227	2.3
275.20193	0.5
293.21216	100.0
294.18234	0.5
294.21536	9.4
490.25690	15.0
491.26239	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	490.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.4
57.58938	0.3
59.01251	2.4
66.48617	0.3
67.05502	0.2
69.03329	0.4
71.01279	0.3
71.15379	0.5
71.15699	0.4
78.95777	13.4
93.03310	0.5
96.96839	0.5
109.06423	0.3
111.08043	0.7
122.00014	0.4
122.07028	0.3
135.04427	0.6
140.01088	4.2
152.99524	1.7
167.10738	0.4
171.00594	1.0
173.04428	0.8
179.14308	1.6
181.12239	0.4
191.05634	0.4
195.13840	9.3
196.03783	2.0
196.14439	1.1
205.12279	1.3
205.15926	0.6
209.11725	0.4
211.13307	0.7
214.04823	5.5
223.13358	7.7
223.15594	0.4
224.14003	0.5
228.13594	0.9
231.21146	0.4
256.13074	1.8
265.21722	0.6
275.20166	4.4
276.20358	0.4
293.21222	100.0
294.18256	0.5
294.21558	8.4
421.18823	0.4
490.25735	25.2
491.26102	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	489.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82458	0.2
55.01762	0.2
57.03330	0.4
58.79331	0.2
59.01251	100.0
60.01584	1.4
69.03336	0.3
69.38860	1.7
71.01253	2.9
72.67509	0.2
72.99177	0.3
73.02824	1.1
74.98954	0.4
78.95773	0.2
83.01265	0.7
83.04890	0.2
85.02818	2.0
87.00756	0.7
89.02338	0.7
93.03350	0.8
95.01285	0.3
96.95898	0.5
98.20599	0.3
99.00774	0.4
101.02312	1.8
106.06500	0.3
108.02058	0.8
109.02838	1.7
111.00819	0.3
113.02335	1.3
118.97945	1.0
119.03450	0.2
119.04906	1.7
120.99579	0.2
121.02857	0.3
123.04424	0.4
125.02338	0.3
129.03363	0.3
135.04384	1.1
137.02274	0.2
145.02858	0.4
146.03632	1.7
147.04402	2.3
155.10698	0.3
159.03192	0.2
159.04385	1.2
161.02362	0.2
161.04492	0.6
161.05914	0.3
163.03880	1.1
173.04524	1.2
173.05911	0.4
178.02502	0.2
179.03459	0.3
188.03429	0.6
189.12816	0.2
191.05536	2.4
192.05928	0.2
202.05029	0.9
207.13991	0.4
214.05156	0.3
216.06699	0.2
223.16920	0.2
225.14882	2.0
227.03442	5.5
228.03955	0.4
239.07153	0.2
249.25781	0.2
255.02960	6.1
256.03455	1.0
267.06754	0.7
267.16098	0.4
268.07324	1.4
283.09644	1.5
284.03265	5.1
285.04013	1.5
285.12839	0.2
285.20740	0.5
309.10175	0.5
322.10861	1.4
336.12112	0.2
399.23624	0.3
429.25049	2.7
430.25201	0.3
446.16052	9.2
447.26031	1.4
489.10367	5.7
489.21942	0.8
489.28186	2.4
490.10312	0.6
490.15738	0.7
490.27591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86787	0.1
52.96550	0.1
56.91074	0.1
57.03305	0.1
58.00467	0.3
58.29433	0.1
59.01246	4.4
62.02311	0.1
71.01245	3.8
71.56677	0.2
72.99173	0.3
73.02822	0.8
75.00771	0.1
83.01253	0.6
85.02828	0.9
87.00739	0.5
89.02308	2.9
95.01251	0.2
97.02814	0.2
99.00750	0.4
101.02317	3.6
101.46299	0.1
103.03918	0.1
110.12876	0.2
111.65895	0.1
113.02319	1.6
119.03420	0.9
126.99615	0.1
133.04971	0.3
143.03406	0.4
161.04478	1.3
177.99635	0.2
179.05486	0.5
182.45505	0.1
193.98264	0.1
218.35159	0.2
227.03468	0.2
235.08167	1.1
253.09279	13.0
253.21692	100.0
254.09641	0.7
254.22020	10.1
255.02934	0.4
284.03452	0.2
311.99283	0.1
358.25174	0.1
414.58524	0.1
489.10202	0.3
489.28510	0.2
495.01953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.5
59.01250	100.0
60.01586	1.3
60.40173	0.3
69.30910	3.1
71.01250	4.0
71.01614	0.4
72.99185	0.4
73.02821	2.5
73.04498	0.3
73.65324	0.3
75.00754	0.4
83.01268	0.6
83.04860	0.4
85.02837	1.3
87.00760	0.9
89.02287	1.9
92.58662	0.3
93.03360	1.4
95.01254	0.4
96.95868	1.8
99.00800	0.7
101.02322	3.2
113.02348	1.5
115.03874	0.3
119.03368	0.7
119.04951	0.9
131.03453	0.3
135.04449	1.2
137.02347	0.8
143.03429	0.6
150.03111	0.8
151.03978	0.4
161.04483	0.6
165.05515	0.7
173.04515	1.1
177.01860	0.4
179.03531	0.7
179.10806	0.4
191.05547	2.6
207.04988	0.5
211.07547	0.6
227.03459	1.8
255.02986	3.2
267.15973	1.2
283.15674	0.4
284.03259	4.3
285.03949	1.8
369.19269	0.6
387.20221	1.1
392.09286	0.6
417.49527	0.3
429.20810	0.8
429.25897	0.6
445.20880	0.9
455.04245	0.4
466.12061	0.6
468.62936	0.4
489.10437	2.2
489.22910	1.4
490.24115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26580	0.2
59.01251	100.0
60.01583	1.3
61.01696	0.3
71.01262	2.3
73.02827	1.2
82.96188	0.3
85.02827	0.9
89.02336	0.8
95.01325	0.3
96.95876	0.7
101.02308	2.1
113.02325	1.4
119.03378	0.5
134.06023	0.7
137.14738	0.2
146.06056	0.3
161.04443	0.6
176.43549	0.2
191.05585	0.9
192.06538	0.8
206.82530	0.2
229.92683	0.3
267.30414	0.2
339.13480	0.7
369.19000	0.5
387.20145	1.0
399.15536	1.1
399.20279	1.1
403.18927	0.3
429.21341	0.9
445.19846	2.0
451.32700	0.3
460.61807	0.3
489.30353	10.3
490.30237	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	489.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16325	1.0
51.73054	1.0
54.36449	1.5
55.01746	1.7
57.03316	2.5
59.01251	100.0
59.25647	1.2
60.01567	1.5
60.56052	1.4
63.47976	1.1
67.01749	1.4
69.63335	7.5
71.01256	24.2
71.04907	1.7
72.99162	2.2
73.02819	19.7
74.02356	2.4
74.98959	2.3
75.00751	2.7
78.84117	1.0
81.03267	1.1
83.00800	1.1
83.01262	3.8
83.04914	1.5
85.02825	10.3
87.00756	4.9
87.04388	2.2
89.02323	11.9
93.03322	3.7
95.01254	1.9
96.95896	4.5
97.02839	1.2
99.00739	3.0
99.04372	1.6
101.02328	18.3
107.01275	1.3
109.02888	1.3
111.08040	2.4
113.02340	10.6
118.97975	3.5
119.03384	3.5
119.04921	3.0
120.99499	2.0
125.02335	2.8
129.09123	2.3
133.02785	1.8
135.04436	4.1
151.00282	2.4
155.10672	1.8
157.07605	1.7
161.04413	2.1
163.03944	1.7
169.01324	1.4
173.04503	5.9
173.05818	1.6
174.03197	1.2
179.03397	2.4
179.10703	1.4
180.06508	1.8
191.05562	9.0
219.07573	1.8
223.13321	3.2
225.14935	5.4
227.03461	77.2
228.03821	5.9
229.05040	1.7
241.14420	6.7
255.02975	87.6
256.03540	13.5
257.04370	2.2
278.65363	1.3
283.02579	1.6
284.03284	68.5
285.03943	22.1
285.17029	1.9
286.04297	1.9
309.08405	1.3
369.10925	1.3
385.18674	5.2
398.79962	1.2
403.19748	37.0
403.25046	1.9
404.20245	3.5
411.23981	1.3
429.25217	3.3
445.20773	82.3
446.21240	10.1
447.26175	2.3
489.10410	90.0
489.21863	6.4
489.28107	11.0
490.10788	14.6
490.27512	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16325	1.0
51.73054	1.0
54.36449	1.5
55.01746	1.7
57.03316	2.5
59.01251	100.0
59.25647	1.2
60.01567	1.5
60.56052	1.4
63.47976	1.1
67.01749	1.4
69.63335	7.5
71.01256	24.2
71.04907	1.7
72.99162	2.2
73.02819	19.7
74.02356	2.4
74.98959	2.3
75.00751	2.7
78.84117	1.0
81.03267	1.1
83.00800	1.1
83.01262	3.8
83.04914	1.5
85.02825	10.3
87.00756	4.9
87.04388	2.2
89.02323	11.9
93.03322	3.7
95.01254	1.9
96.95896	4.5
97.02839	1.2
99.00739	3.0
99.04372	1.6
101.02328	18.3
107.01275	1.3
109.02888	1.3
111.08040	2.4
113.02340	10.6
118.97975	3.5
119.03384	3.5
119.04921	3.0
120.99499	2.0
125.02335	2.8
129.09123	2.3
133.02785	1.8
135.04436	4.1
151.00282	2.4
155.10672	1.8
157.07605	1.7
161.04413	2.1
163.03944	1.7
169.01324	1.4
173.04503	5.9
173.05818	1.6
174.03197	1.2
179.03397	2.4
179.10703	1.4
180.06508	1.8
191.05562	9.0
219.07573	1.8
223.13321	3.2
225.14935	5.4
227.03461	77.2
228.03821	5.9
229.05040	1.7
241.14420	6.7
255.02975	87.6
256.03540	13.5
257.04370	2.2
278.65363	1.3
283.02579	1.6
284.03284	68.5
285.03943	22.1
285.17029	1.9
286.04297	1.9
309.08405	1.3
369.10925	1.3
385.18674	5.2
398.79962	1.2
403.19748	37.0
403.25046	1.9
404.20245	3.5
411.23981	1.3
429.25217	3.3
445.20773	82.3
446.21240	10.1
447.26175	2.3
489.10410	90.0
489.21863	6.4
489.28107	11.0
490.10788	14.6
490.27512	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87967	0.6
57.03325	0.5
59.01250	28.8
70.32765	2.0
71.01253	18.8
72.99179	1.6
73.02816	2.9
74.03136	0.6
78.98433	0.5
79.95638	0.5
80.96393	6.1
83.01273	4.3
83.55976	0.6
85.02831	3.1
87.00753	24.8
89.02332	1.6
93.03329	1.1
94.97959	1.6
96.95895	2.8
99.00783	0.6
101.02316	4.0
102.13087	0.6
111.00761	5.2
113.02327	3.8
115.00256	51.6
115.48698	0.5
116.00582	1.6
122.97456	0.6
127.00259	1.9
129.01775	1.1
132.57417	0.6
134.97476	0.7
135.04457	0.6
139.00276	12.3
146.06046	1.0
146.80266	0.5
150.05527	0.9
152.98488	0.7
157.01332	25.2
157.02643	1.2
158.01636	0.9
158.06018	0.8
161.04538	0.9
164.98564	1.7
171.10156	1.9
173.04439	0.8
173.69261	0.5
175.02396	100.0
176.02718	4.0
191.05542	4.3
193.95714	0.6
203.68306	0.5
207.05234	1.1
211.07637	1.2
225.00681	3.0
226.12363	2.9
239.08093	0.7
241.07381	1.5
255.02869	0.6
267.16150	0.6
269.12976	12.7
270.13303	1.4
271.14914	0.8
283.14594	0.7
290.19724	0.8
297.12451	0.9
299.14075	0.9
305.10486	0.8
306.07803	0.6
313.11917	9.6
314.12357	1.3
327.08905	1.1
327.13474	1.0
337.09033	1.1
341.11453	1.2
343.12912	2.5
355.13013	0.6
371.12476	8.1
372.12909	0.7
373.14099	1.5
385.14053	0.9
389.13535	0.7
391.12991	1.1
409.14075	7.0
410.14178	0.9
427.15082	9.0
428.15598	1.2
429.13080	3.6
441.12665	0.8
453.13306	1.1
471.15253	4.7
489.16238	13.1
490.16638	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90589	0.2
63.02285	0.3
65.00202	0.5
69.81427	0.2
69.81657	0.4
69.82070	1.1
70.15638	0.2
82.64047	0.2
84.07208	0.3
93.03329	0.5
98.19725	0.3
107.01266	0.9
115.80774	0.2
118.34745	0.2
125.02344	0.5
132.02069	0.3
135.00763	0.5
143.04929	0.4
151.00307	2.0
153.01842	0.4
157.88266	0.2
163.00255	0.4
169.01352	0.6
174.03220	0.4
183.04472	1.4
185.02287	0.4
185.06004	0.4
187.03841	0.4
199.03935	0.3
211.03969	2.1
227.03445	67.0
228.03796	2.2
229.05035	0.9
229.59003	0.2
239.03410	0.4
255.02960	79.8
256.03613	7.5
257.04495	0.7
269.04343	0.3
283.02591	0.6
284.03253	55.1
285.03928	14.0
286.04288	0.7
327.05038	1.5
489.10370	100.0
490.03534	0.5
490.10693	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	489.1038
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
57.03303	0.2
59.01251	16.7
63.02273	0.4
65.00199	0.4
69.36092	0.9
69.36519	1.0
73.02810	0.7
79.95618	0.3
83.01261	0.5
85.02812	0.6
89.02328	0.5
89.03838	0.3
93.03323	0.8
95.01273	0.3
96.95877	1.0
98.19704	0.4
101.02316	0.7
105.03330	0.4
107.01262	1.9
108.02042	0.5
109.02837	0.5
110.71690	0.2
111.00815	0.3
113.02320	0.9
113.52352	0.2
119.04872	0.2
123.04424	0.3
125.02245	0.3
132.02063	1.6
133.02881	1.1
135.00757	1.5
143.04941	0.4
145.06503	0.3
151.00267	2.0
153.01813	0.3
158.03653	0.3
159.02951	0.3
159.04401	0.6
161.04533	0.2
163.00256	1.4
164.01041	0.8
167.03433	0.2
167.04881	0.4
169.01328	0.4
169.06514	0.3
171.04425	0.6
176.01091	0.3
177.01848	12.1
178.02155	0.9
182.03677	0.3
183.04445	0.8
184.05263	0.3
185.02409	0.5
185.05998	1.0
187.03935	1.9
189.05569	0.3
190.99811	0.5
191.05466	0.2
195.04443	0.7
197.05956	0.4
199.03932	0.7
200.04694	0.4
201.03941	0.3
201.05563	0.4
209.00787	0.3
211.03922	2.4
213.05521	0.9
217.04854	0.2
224.88336	0.2
226.02773	0.3
227.03445	35.0
228.03828	3.1
229.05031	4.6
239.03479	1.5
240.03914	0.5
241.05074	0.7
255.02959	72.5
256.03427	8.4
257.04541	3.4
267.03073	0.3
267.15982	0.4
283.02524	0.9
284.03250	100.0
285.03949	35.2
286.04376	2.2
327.05219	1.1
327.18094	0.4
369.19186	0.9
387.20297	0.5
429.08487	0.3
447.09293	2.1
489.10361	54.4
490.10651	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	487.3428
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01245	2.6
61.98677	0.8
71.04901	1.1
71.57419	0.9
80.35123	0.7
82.91537	0.6
96.95907	0.9
99.41378	0.6
104.86919	0.7
330.28088	0.8
407.33041	1.9
425.33923	0.6
427.32309	1.9
469.26907	0.5
469.33185	14.2
470.33694	3.3
477.37979	0.7
487.34280	100.0
488.34641	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	489.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52887	0.3
59.01248	5.2
63.02261	0.3
65.00202	0.4
70.93564	0.6
83.01275	0.4
87.63670	0.3
93.03349	0.4
107.01251	0.9
114.23451	0.3
121.03792	0.3
125.40446	0.2
129.27419	0.3
135.00790	0.5
151.00296	1.8
153.01811	0.5
159.04401	0.4
163.00241	0.4
169.01320	0.4
174.03026	0.3
175.03963	0.5
178.99792	0.5
182.03586	0.3
183.04501	1.3
185.02435	0.6
185.06026	0.6
187.03819	0.4
199.03870	0.4
211.03900	2.2
212.04541	0.3
213.05429	0.5
221.31990	0.3
227.03447	72.0
228.03822	5.5
229.04996	1.2
230.12881	0.3
239.03555	0.4
241.05096	0.3
255.02963	100.0
256.03549	14.4
257.04416	1.5
267.16016	0.4
269.04480	0.3
273.35028	0.3
283.02585	0.8
284.03253	82.4
285.03897	20.9
286.04385	1.4
327.05151	1.1
447.09045	1.5
489.10376	74.4
490.10715	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	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15188	0.2
57.03312	0.2
58.00478	0.2
59.01252	100.0
60.01590	1.1
66.89036	0.2
69.27914	1.9
71.01255	2.5
72.99191	0.2
73.02828	1.8
75.00732	0.3
83.01270	0.7
85.02835	0.8
87.00738	0.5
89.02293	0.9
93.03349	0.4
94.07619	0.2
95.01284	0.3
95.04916	0.2
96.95892	0.7
99.04413	0.5
101.02327	2.7
113.02332	1.1
119.03396	0.5
125.02319	0.2
131.03458	0.2
134.03656	0.2
135.04405	0.5
137.67998	0.2
143.03484	0.3
149.04478	0.3
152.89595	0.2
155.10738	0.2
161.02252	0.2
161.04533	0.7
173.04523	0.5
173.32471	0.2
177.01904	0.3
179.03488	0.5
180.06647	0.4
181.06879	0.3
181.12312	0.2
187.11221	0.3
191.05600	0.7
192.75793	0.2
205.12340	0.5
205.53926	0.2
237.06123	0.4
258.18997	0.2
300.02997	0.2
307.19080	0.3
427.20016	0.5
443.20422	0.2
487.15253	0.3
487.25690	0.6
488.13580	0.4
488.20016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.40065	0.4
59.01243	1.5
60.99172	1.5
69.03316	0.9
70.18909	0.4
71.57338	0.6
72.27695	0.5
73.72620	0.5
77.32534	0.3
94.04124	0.8
95.04893	2.7
96.56083	0.4
102.13937	0.4
123.04414	0.4
123.07997	0.6
136.14053	0.5
137.09627	4.9
139.11177	27.1
140.11511	1.4
164.83548	0.4
186.67746	0.4
190.51443	0.4
193.80576	0.4
243.17593	0.9
285.22290	0.7
349.22687	0.4
425.34140	5.3
426.34692	0.9
441.33771	1.1
469.33096	1.2
487.34259	100.0
488.34625	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	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.4
59.01250	100.0
60.01587	2.0
62.64781	1.1
69.44862	3.0
69.45284	6.3
71.01254	16.3
73.02818	21.9
83.01243	5.4
85.02821	5.1
89.02334	4.1
96.95883	4.3
98.95466	1.9
101.02339	15.6
113.02328	6.0
119.03352	1.5
131.03407	1.7
135.04434	1.4
138.06769	1.5
143.03319	1.3
149.04439	2.0
151.07581	2.2
152.08325	3.6
153.09126	14.2
159.11690	4.5
161.04457	5.9
173.04379	1.6
175.11240	5.9
176.11485	1.7
177.12799	1.6
191.05553	1.9
205.12253	4.8
221.11841	3.8
223.13338	5.3
227.45401	1.2
241.00168	1.3
284.58594	1.6
367.17590	6.7
401.18182	1.9
427.19553	6.2
443.19183	18.3
444.19592	2.1
487.14246	1.8
488.28796	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	487.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03895	0.3
54.25732	0.5
55.01752	1.4
57.03320	1.7
58.00475	0.8
59.01252	75.3
60.01602	1.2
65.03848	0.4
69.03320	0.5
71.01257	16.2
72.99184	0.7
73.02821	13.1
75.00747	0.5
83.01255	3.9
85.02827	6.9
87.00765	1.4
89.02317	2.8
95.01274	1.0
96.95897	0.5
99.00774	1.8
101.02327	14.3
107.55602	0.4
109.06466	0.9
113.02337	4.7
114.40048	0.4
119.03387	0.8
121.06477	2.5
123.08054	2.5
125.09510	0.4
129.93079	0.4
135.08107	0.4
143.03436	0.6
159.02895	0.7
161.04514	2.8
177.12732	2.9
195.13869	2.3
209.11755	1.2
211.44186	0.5
221.11771	5.1
239.12755	0.6
293.14081	0.4
357.19162	1.6
367.17465	0.5
383.17148	1.3
401.18137	17.0
402.18497	2.4
443.19202	100.0
444.19528	12.0
487.30539	35.0
488.30807	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	487.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.7
55.98062	0.6
57.03310	1.7
59.01253	44.5
68.07607	0.6
69.53696	2.9
69.54108	1.4
71.00884	1.1
71.01256	14.0
72.51261	0.6
72.99183	0.8
73.02817	13.9
83.01254	4.7
85.02821	5.6
87.00767	1.1
89.02314	3.1
95.01266	1.4
99.00765	1.6
101.02324	12.3
101.72559	0.6
109.06498	1.2
113.02342	4.3
113.07594	0.6
119.03329	0.6
119.93073	0.6
121.06461	2.3
123.08051	1.3
135.07988	0.6
146.02670	0.6
161.04485	2.0
177.12746	2.6
195.13849	3.1
221.11765	3.8
357.19183	1.5
383.16953	1.7
401.18130	18.3
402.18594	1.9
443.19208	100.0
444.19577	12.8
481.01077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	8.4
59.01252	19.4
60.81653	0.8
68.03345	0.8
69.49094	3.7
69.49513	2.9
71.01230	1.5
72.00791	1.6
72.04417	4.1
73.02807	2.0
74.02341	19.2
79.95607	5.3
80.96439	0.7
83.01257	1.2
84.28469	0.7
85.02817	1.1
86.06006	1.6
93.03339	3.6
96.95897	15.7
106.04139	1.4
107.04909	3.4
119.04914	10.2
124.07569	1.8
126.09151	1.2
128.25142	0.7
131.20084	0.9
134.03613	1.7
134.05984	5.1
136.07584	1.6
162.05536	2.0
163.03908	10.3
164.10696	0.9
167.54990	0.8
180.06590	32.4
181.07027	1.3
192.10315	2.3
214.01749	3.3
220.13364	2.4
222.11285	1.0
232.13396	2.2
238.14474	8.6
240.12389	9.0
244.13425	8.5
245.41046	1.0
264.12506	1.2
274.18222	2.2
284.16614	2.5
300.19666	7.2
302.17636	3.1
326.17606	1.1
344.18625	15.5
345.18930	1.7
346.16592	39.9
347.16980	5.0
370.16553	2.7
388.17630	9.2
389.17627	1.0
406.18686	100.0
407.19070	11.9
443.19284	1.9
486.14389	59.0
487.09448	0.9
487.14893	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	485.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.1
57.93414	1.2
59.01251	94.6
69.03322	2.3
69.31352	10.7
69.31773	3.8
71.01253	50.0
73.02819	100.0
74.03142	1.8
83.00795	2.0
83.01258	22.3
83.41531	1.2
85.02817	5.4
89.02309	9.9
93.03355	1.5
95.89510	1.5
99.00771	1.6
101.02323	52.7
113.02332	9.7
119.03341	4.0
131.03398	2.8
137.57030	1.3
143.03351	3.9
149.04416	3.3
159.08090	1.4
161.04451	8.1
175.09758	3.0
175.11198	49.3
176.11531	4.5
193.12256	2.3
219.10168	3.8
239.97066	1.5
337.16592	2.1
355.17624	2.5
399.16452	11.5
400.71555	1.4
441.17661	58.7
442.18060	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77998	0.4
67.74604	0.4
69.93581	0.9
69.93996	2.0
69.99184	0.4
78.95775	16.9
93.72359	0.4
96.96838	1.7
138.98972	0.4
150.97874	0.6
152.99484	29.6
153.99756	0.4
171.00542	1.1
227.03261	4.1
237.22095	0.5
245.04286	1.2
255.23254	100.0
256.23590	10.3
256.65833	0.5
266.46054	0.4
287.13373	0.4
391.22504	0.8
414.09467	0.4
483.27271	49.1
484.27661	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	485.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.0
59.01250	85.4
69.03368	3.1
70.97452	4.4
71.01256	31.2
72.99178	2.5
73.02820	24.2
81.03327	2.5
83.01258	12.9
85.02808	16.2
85.48913	1.6
85.99956	2.2
87.00772	3.6
89.02309	6.2
93.03362	2.3
95.01256	3.1
96.95880	24.0
99.00746	4.7
101.02322	30.1
111.74592	1.7
113.02333	10.1
123.07968	2.2
134.03659	4.8
135.04382	5.1
139.85666	1.8
153.80054	1.6
155.91539	2.3
159.08066	4.3
163.35284	1.7
173.04440	4.4
175.11203	100.0
176.11536	6.8
179.03403	7.0
191.05519	4.5
193.12279	50.5
194.12677	3.7
219.10161	4.1
231.10072	3.1
305.10669	13.9
337.16629	21.7
355.17615	56.4
356.18088	7.5
399.16519	4.0
426.00272	2.1
441.17685	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	483.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93755	0.3
57.03320	2.2
59.01244	1.3
67.01761	1.9
70.80219	0.7
70.80550	0.3
85.00028	0.3
85.02818	0.7
87.00746	9.9
111.00760	100.0
112.01093	2.6
169.12274	0.3
173.00830	7.9
185.11729	0.3
227.12657	0.3
245.14053	0.4
247.09695	0.3
291.19739	0.9
309.20813	0.6
483.21750	1.5
483.28482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33459	1.0
78.95771	6.6
92.78949	0.3
96.96806	0.5
108.97604	0.3
152.99490	14.5
153.49190	0.3
171.00522	1.2
179.44353	0.3
227.03220	4.4
245.04311	1.2
255.23264	100.0
256.23608	9.1
257.66748	0.3
448.47849	0.3
483.27277	28.2
484.27722	5.0
492.26819	0.3
492.67636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69890	0.3
53.97411	0.3
57.03318	1.5
59.01247	0.8
67.01758	1.8
67.64192	0.3
70.33733	0.3
71.18213	0.8
73.27775	0.3
75.79397	0.4
78.98551	0.4
85.02820	0.6
87.00751	5.9
88.47647	0.3
96.95891	0.4
111.00761	100.0
112.01083	2.5
118.49264	0.3
121.02834	0.6
143.13010	0.3
154.99707	0.4
171.10155	0.4
172.87973	0.5
173.00821	5.8
185.88432	0.5
195.34236	0.4
232.21507	0.3
247.97389	0.4
274.48572	0.4
291.19720	0.5
309.20673	1.0
327.56204	0.3
357.31699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.1
59.01260	3.1
60.99149	0.6
65.03845	0.4
67.01763	3.5
69.03336	0.7
70.71789	0.9
70.72163	0.8
71.01254	3.6
72.99157	0.5
73.02822	0.9
81.03326	2.0
83.04888	1.2
83.19027	0.4
85.02818	3.2
87.00751	1.6
93.03335	28.8
94.03667	0.9
94.21916	0.4
96.95876	0.5
99.00729	0.6
99.04411	0.6
101.01767	0.4
101.02326	2.0
103.00259	0.8
108.02042	0.7
109.02837	6.1
110.07455	0.3
111.00780	1.0
111.04399	5.5
113.02346	0.6
117.03331	2.0
119.04916	23.4
120.05258	0.9
122.65143	0.3
127.03907	3.1
129.01823	1.0
133.02896	0.9
134.03625	1.6
135.04440	1.8
135.22893	0.4
137.02338	15.0
138.02641	0.5
145.02855	8.2
149.02296	0.5
152.00977	0.6
155.03394	8.0
163.03920	31.6
164.04259	1.5
173.04469	100.0
174.04834	4.0
178.02623	1.1
179.03421	1.2
179.35634	0.4
189.03969	4.5
191.05522	4.2
200.06842	0.3
207.05029	1.5
275.09506	0.6
285.12485	0.5
319.08234	7.1
320.08435	0.8
337.09280	38.8
338.09677	3.3
388.60373	0.4
465.14096	4.5
466.14166	0.8
483.14676	3.7
483.33054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48298	1.4
55.01737	1.4
55.37779	1.5
57.03311	6.7
59.01249	40.9
61.98692	4.8
65.03835	6.1
67.01743	4.4
69.03316	4.5
69.51759	1.4
69.69434	2.7
69.69843	7.5
71.01248	22.9
72.99166	5.1
73.02816	24.0
75.00753	1.6
78.95760	1.4
79.68832	1.5
81.03330	19.1
83.01254	5.6
83.04906	8.2
85.02814	51.2
87.00758	20.5
89.02304	3.0
93.03330	27.7
95.01254	5.1
96.95884	8.0
97.02839	4.8
97.06483	1.8
99.00763	6.6
99.04404	9.0
99.24612	1.7
101.02316	34.6
103.00240	8.1
108.02071	8.6
109.02835	75.7
110.03158	2.2
111.00751	1.6
111.04402	7.9
113.02298	4.9
117.03364	7.1
119.04916	36.1
121.02849	6.3
123.04408	2.1
125.02351	4.1
127.03904	34.5
129.01140	1.4
129.01846	16.2
129.69321	1.5
131.03398	2.5
133.02809	10.4
133.16873	1.7
134.02638	2.0
134.03636	28.1
135.04411	31.1
136.04829	2.4
137.02339	19.4
137.92563	1.5
139.03914	3.2
143.03372	3.6
145.02853	39.3
146.03246	2.8
149.02344	7.1
150.03108	4.7
151.03920	4.2
152.01093	2.8
152.99443	1.9
153.01768	2.9
153.51723	1.6
155.03406	19.6
156.03726	2.3
161.02426	1.6
163.03900	37.8
164.04216	2.0
171.02954	4.1
173.04466	95.3
174.04817	4.7
177.01875	8.7
178.02621	23.1
179.03415	15.8
189.03969	100.0
190.04317	3.4
191.05547	24.2
207.05032	47.2
221.43857	1.5
231.10167	2.7
239.07019	2.1
275.09280	11.9
291.08734	3.0
293.10245	9.6
309.09784	7.5
311.07718	6.7
319.08197	37.5
320.08557	4.6
337.09296	19.0
338.09235	1.8
368.07043	1.8
465.14014	54.7
466.14130	7.9
483.14932	70.3
484.15216	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	483.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51619	0.3
55.54763	0.3
57.03312	1.0
59.01248	3.3
60.77382	0.3
60.99168	0.5
67.01762	3.5
69.03322	0.9
69.24885	3.4
71.01249	3.8
73.02811	0.7
81.03329	0.9
83.04893	1.1
85.02826	1.9
85.89837	0.3
87.00745	0.7
88.52643	0.3
93.03333	22.5
94.03098	0.3
94.03676	0.9
95.01241	0.4
96.95912	0.4
97.02831	0.4
99.00760	0.3
101.02305	1.0
109.02831	1.8
111.00774	0.9
111.04401	4.7
113.02345	1.0
117.03343	0.5
119.04915	13.3
120.05254	0.7
127.03913	0.5
129.01817	0.5
134.03543	0.3
134.70860	0.3
135.04378	0.8
137.02328	6.3
138.02708	0.3
143.03313	0.3
145.02847	1.5
155.03398	4.5
163.03911	19.7
164.04233	1.1
173.04460	100.0
174.04791	4.1
178.02740	0.3
179.03360	0.4
189.03938	1.0
191.05540	4.0
216.07742	0.3
225.49042	0.3
319.08221	1.3
337.09268	39.2
338.09644	3.9
465.13596	1.4
466.13452	0.4
483.14395	1.0
483.22913	0.3
483.29825	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	483.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60574	0.4
57.03322	1.6
59.01246	4.5
60.99182	0.7
65.03838	0.9
66.30718	0.4
66.59400	0.4
67.01757	2.5
68.70390	0.5
69.03325	0.9
71.01254	2.6
71.04584	1.0
71.90808	0.5
72.99228	0.5
73.02811	3.1
77.61094	0.6
81.03325	2.4
83.01274	0.5
83.04896	1.3
85.02822	6.8
87.00757	5.4
87.71187	0.4
89.02290	0.5
93.03332	17.6
94.03664	4.4
95.01234	0.6
95.03913	0.6
96.95899	0.9
98.20490	0.5
99.00784	0.8
99.04395	1.8
101.02305	4.5
103.00258	1.3
103.57417	0.4
108.02054	1.3
109.02132	0.8
109.02839	9.6
110.03185	0.5
111.04404	4.7
112.04770	0.8
113.02348	1.0
117.03360	1.7
119.04916	52.4
120.05242	2.9
121.02834	0.9
125.02316	0.7
127.03925	3.9
129.01840	3.3
133.02875	1.7
134.03621	5.0
135.04482	2.9
136.04115	0.5
137.02354	1.9
145.02852	6.8
149.02365	0.4
150.03137	0.7
155.03380	3.0
163.03915	100.0
164.04233	5.4
173.04466	21.8
173.05998	0.7
174.04797	4.2
175.04945	3.2
177.01843	1.3
178.02617	2.3
179.03391	1.7
189.03973	10.8
190.04279	0.6
191.05531	22.6
192.05878	0.9
203.08162	1.1
207.05046	5.2
275.09354	1.1
285.12390	1.2
293.10229	0.7
309.09631	0.8
309.27243	0.5
319.08237	8.7
319.11911	0.3
320.08569	0.7
337.09253	34.1
338.09460	3.7
451.15018	2.0
465.14072	9.3
466.14429	1.3
483.14941	9.7
484.14804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43718	0.5
55.01751	1.6
57.03323	1.4
58.79711	0.7
59.01250	57.4
60.01586	0.7
61.83206	0.5
61.90257	0.6
67.01765	0.7
69.03310	0.6
71.01252	18.0
71.57568	0.9
72.99165	1.6
73.02823	5.0
81.03362	0.6
83.01270	3.4
83.04889	0.9
85.02824	15.7
87.00741	4.6
89.02303	5.9
93.03333	6.0
95.01260	1.2
96.95876	3.5
97.02817	1.0
97.61857	0.5
99.00755	2.3
99.04363	0.7
101.02319	15.0
102.33985	0.6
109.02824	2.6
111.00760	0.7
111.04372	2.1
113.02332	7.7
119.03374	2.1
119.04906	1.6
122.06002	1.8
123.04376	0.9
124.03877	0.8
125.02330	1.4
125.32489	0.6
127.03890	1.3
129.01796	1.4
131.03294	0.7
134.06013	3.8
135.04384	0.7
137.02328	1.1
138.05484	1.6
140.67169	0.6
141.08974	0.6
144.12515	0.6
146.03683	0.7
152.07092	3.2
155.03409	1.7
158.03569	0.7
159.02997	0.7
159.04398	2.1
161.04465	1.8
163.03857	0.6
167.85526	0.6
171.02904	0.7
172.05267	2.5
172.47466	0.6
173.04463	5.7
173.05962	2.7
174.06593	0.9
184.06062	0.7
184.96779	0.5
187.03957	2.6
187.05876	1.4
187.07568	29.8
188.07965	2.9
191.05531	57.9
192.05907	2.4
197.06021	0.7
201.05446	3.2
202.06296	13.8
203.06615	1.1
203.10695	0.8
204.04279	0.7
207.04994	0.8
212.59726	0.5
213.09151	7.2
215.07101	5.1
219.10422	0.6
221.63803	0.6
231.10217	20.4
232.10634	1.6
245.08290	0.7
247.09790	0.8
259.19193	2.9
263.12845	5.5
264.13141	0.9
275.09247	15.8
276.09625	1.7
282.11429	3.6
283.11688	1.6
283.15009	0.6
289.10776	2.1
299.13983	2.6
307.11865	9.2
308.12292	0.6
319.20825	0.7
350.36099	0.7
421.24533	3.9
422.24506	0.6
449.14526	2.5
450.14871	0.6
463.16122	0.9
463.25540	4.4
464.17950	1.6
481.17151	10.1
481.26514	100.0
482.18622	3.8
482.26813	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	481.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.2
59.01252	47.6
67.01756	0.8
68.07423	0.7
68.99657	0.8
69.03326	0.7
69.76962	4.0
71.01258	13.4
71.14912	0.7
72.99168	1.8
73.02816	6.0
77.07242	0.7
81.03339	0.8
83.01265	3.2
85.02819	13.3
87.00755	4.7
89.02324	5.2
93.03330	6.2
95.01242	1.4
96.95901	4.9
99.00754	2.1
101.02322	13.3
109.02847	3.9
110.03200	1.1
111.04430	1.8
113.02312	6.1
118.41012	0.9
119.03362	1.8
119.04917	1.1
122.03588	0.8
122.05939	1.3
123.03118	0.8
124.03929	0.8
125.02318	0.8
127.03893	1.3
129.01794	1.5
134.06023	3.4
135.04370	0.9
137.02425	1.3
138.05489	1.1
152.07100	2.0
155.03404	2.3
158.03577	1.1
159.04379	2.2
161.04468	2.0
163.03877	0.7
172.05196	2.4
173.04466	10.2
173.06000	3.5
174.06659	0.8
183.04456	1.0
187.03929	2.6
187.07571	36.6
188.04642	0.9
188.07904	2.0
191.05540	82.9
192.05905	3.9
201.05525	3.8
202.06281	18.6
203.06891	1.4
207.05049	1.8
213.09117	7.7
214.09592	0.9
215.07129	6.0
216.07555	1.1
219.10062	1.0
231.10234	29.0
232.10567	3.1
245.08049	1.4
259.19128	3.0
263.12885	8.4
264.13116	0.9
275.09256	18.9
276.09616	2.2
280.57684	0.8
282.11456	1.7
283.11755	0.9
289.10873	2.9
299.14059	1.8
301.19998	0.8
307.11804	12.3
319.21323	0.8
421.24530	3.0
436.26050	0.7
449.14642	4.6
450.14615	1.0
463.16031	0.9
463.25266	4.1
481.17444	15.1
481.26529	100.0
482.18872	4.6
482.26871	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	481.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05207	0.7
71.34849	1.6
74.35041	0.7
78.95772	43.3
88.79314	0.8
96.96838	3.1
152.99483	52.2
170.99190	1.4
171.00558	16.9
180.26433	0.8
227.03209	3.6
245.04280	100.0
246.04688	2.6
253.21703	63.7
254.21896	5.4
255.23399	1.9
411.85638	1.0
481.25650	41.1
482.25958	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08134	3.1
70.08546	2.0
78.95773	55.2
85.56116	0.9
96.96825	5.4
98.20405	1.5
104.99937	0.9
121.08974	0.9
124.11978	1.2
142.48840	1.1
150.97905	1.1
152.99489	74.2
153.99866	1.2
171.00557	20.4
196.63710	1.0
211.03781	1.2
218.41606	0.9
222.78798	1.0
227.03246	2.9
245.04277	100.0
246.04663	3.1
253.21706	58.4
254.21992	5.1
378.08789	1.1
398.66931	1.1
481.25714	35.6
482.26010	4.5
489.70383	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	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52919	0.6
57.17442	0.7
59.64307	0.7
62.39661	0.7
70.86359	2.3
72.64549	0.8
78.95772	64.2
96.96844	4.5
99.17450	0.6
116.79941	0.7
118.63318	0.7
128.75151	0.8
131.53400	0.8
133.05232	0.8
134.98418	1.2
142.07620	0.8
150.97902	1.2
152.99484	100.0
153.99780	2.0
171.00551	18.5
227.03250	10.0
245.04272	73.9
246.04579	1.8
253.21686	55.3
254.22043	3.3
332.15448	0.7
359.54224	1.0
481.25696	89.8
482.25967	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	481.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
58.02843	0.4
59.01237	1.5
61.09961	0.3
69.79987	1.7
71.01255	0.6
71.04884	0.6
72.00784	1.8
72.04423	0.9
74.02342	39.3
75.02674	0.4
79.95611	3.2
82.82327	0.3
91.07127	0.4
95.95101	1.1
96.95886	93.3
97.03962	0.4
97.06425	1.1
99.08035	1.0
100.00292	0.8
110.05946	0.4
113.09597	1.4
116.04943	12.1
117.05315	0.4
127.11178	0.4
128.10683	1.0
130.06502	0.9
142.06540	2.7
159.09175	3.4
169.12254	1.1
173.04515	0.4
186.05650	0.6
194.15385	1.0
196.16931	0.6
203.08192	36.5
204.08504	2.5
210.18498	0.6
212.16400	0.9
214.18060	1.5
217.69293	0.4
226.18079	1.6
228.19627	0.9
229.07724	0.4
249.11708	0.4
254.17531	0.8
272.18671	14.3
273.18954	1.2
277.11029	3.5
294.13712	0.6
295.11392	0.8
297.17020	0.8
305.14929	0.5
319.23639	0.4
327.60342	0.4
357.25452	5.0
358.25406	0.6
373.21112	0.5
380.18640	0.6
383.12961	0.4
383.23425	0.6
385.21307	0.8
398.81638	0.5
401.24438	25.9
402.24762	3.4
410.38931	0.4
410.47433	0.4
437.21503	0.9
481.20105	100.0
482.20386	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	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.8
59.01253	4.7
60.99174	1.9
66.35912	0.5
67.01763	6.7
69.03327	1.8
69.31359	5.2
71.01250	4.3
76.85162	0.4
81.03339	1.5
83.04896	1.7
84.73123	0.4
85.02826	1.2
87.00762	5.5
93.03338	45.2
93.92390	0.5
94.03658	1.6
97.06464	0.6
98.20547	1.1
99.00754	1.0
99.04366	0.8
103.03853	0.6
109.02831	1.3
111.00759	1.1
111.04401	6.6
113.02329	1.0
119.04907	1.7
121.02802	0.5
124.36935	0.5
129.01871	0.6
133.02850	3.1
134.03647	6.7
135.04416	4.6
135.68227	0.5
137.02332	5.1
139.03908	1.0
150.37762	0.5
155.03381	4.9
163.03955	0.7
170.60170	0.5
173.04471	100.0
174.04823	3.6
177.01805	3.0
178.02637	10.0
179.03371	3.0
191.05562	6.0
201.84595	0.5
207.05022	0.6
214.49094	0.5
231.10262	1.1
275.09207	3.2
306.07401	0.9
307.11838	1.2
332.93192	0.5
351.07416	0.7
359.96143	0.6
366.56760	0.7
398.94962	0.5
449.14520	15.0
450.14871	2.2
481.17258	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	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.8
59.01250	3.5
60.99174	4.8
64.46134	0.5
65.03852	0.5
66.56721	0.4
67.01762	14.5
68.02097	0.6
69.03329	5.6
70.98081	1.1
71.01254	5.8
71.04929	0.6
81.03328	3.0
83.04896	2.0
84.14890	0.5
85.02819	1.4
86.31912	0.5
87.00754	19.9
93.03338	100.0
94.03671	2.6
97.06444	0.7
99.00767	1.9
99.04401	1.7
109.02840	1.8
110.63406	0.5
111.00755	0.6
111.04407	14.3
112.04694	0.4
113.02343	2.0
115.03872	1.2
119.04943	2.3
127.03908	0.7
129.01822	2.7
133.02875	3.3
134.03653	10.7
135.04430	4.2
135.60315	0.5
137.02344	3.4
137.06012	1.2
139.03859	0.6
143.03421	1.0
150.03151	0.5
155.03419	4.0
155.10648	1.2
168.35071	0.5
170.79919	0.5
173.04474	74.4
174.04790	2.7
177.01836	1.3
177.78183	0.4
178.02625	10.4
179.03403	2.6
180.56842	0.4
191.05562	4.4
199.09686	0.7
275.09204	1.6
306.07394	0.6
308.08780	0.8
351.07303	0.7
352.08078	0.9
449.14545	36.4
450.14920	5.0
481.17020	25.7
482.17303	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	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.2
57.03324	1.4
58.70650	0.2
59.01252	3.4
60.99175	5.0
61.98698	0.2
62.32253	0.2
65.03833	0.6
67.01759	15.2
68.02104	0.4
68.04628	0.2
68.77815	0.2
69.03329	4.2
71.01253	5.9
71.04895	0.2
71.58022	0.2
72.99187	0.5
73.02827	0.6
74.51509	0.2
77.22168	0.2
81.03326	2.9
83.01264	0.2
83.04897	2.6
85.02820	1.5
87.00750	19.4
88.01080	0.4
89.02307	0.2
93.03335	100.0
94.03662	3.3
96.95882	0.2
97.02837	0.5
97.06465	0.4
99.00760	1.9
99.04397	1.6
101.02336	0.4
103.03900	0.4
108.02048	0.3
109.02853	1.3
111.00763	0.4
111.04401	13.9
112.04727	0.6
113.02323	1.9
115.03876	0.9
119.04933	0.4
121.02853	0.6
125.02343	0.4
127.03910	0.5
129.01826	2.7
132.04410	0.2
133.02838	3.0
134.03633	9.4
134.05939	0.5
135.04416	4.7
137.02332	3.1
138.02574	0.2
139.03897	0.6
143.03410	1.3
145.02876	0.2
149.02344	0.2
150.03171	0.3
151.03954	0.6
153.01781	0.2
155.03407	3.0
161.02434	0.2
162.03191	0.5
163.03918	0.4
165.01862	0.3
173.04468	61.5
174.04811	2.3
177.01840	2.1
178.02626	9.8
179.03392	2.0
180.03760	0.2
187.07559	0.3
191.05533	5.8
192.05943	0.2
201.05492	0.3
207.05101	0.3
224.51337	0.2
231.10316	0.4
257.08179	0.3
275.09232	1.2
279.11429	0.5
306.07498	0.7
307.08307	0.5
307.11844	0.4
308.09088	0.9
339.13428	0.2
351.07150	1.1
352.07935	1.2
377.18445	0.2
449.14514	43.0
450.14865	4.9
481.17126	20.3
482.17401	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	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21840	0.2
57.03327	1.1
57.47020	0.2
57.88364	0.2
59.01247	2.2
60.99171	1.9
62.95715	0.3
65.03834	0.3
65.70541	0.2
67.01762	9.5
69.03328	2.6
70.97918	0.5
70.98267	0.3
71.01253	4.3
73.02827	0.3
74.69762	0.2
78.74155	0.2
81.03323	1.9
83.04887	1.5
85.02845	1.0
87.00745	7.1
87.04395	0.4
88.70504	0.2
93.03336	64.9
94.03667	2.0
96.02029	0.2
97.05901	0.3
97.06460	1.6
99.00788	0.7
99.04406	0.9
99.67273	0.2
101.02317	0.3
105.03306	0.3
109.02848	1.2
111.00760	0.7
111.04402	8.9
112.04719	0.4
113.02347	1.0
115.03887	0.4
129.01811	1.2
133.02817	1.7
134.03632	21.8
135.04489	3.1
137.02347	12.2
137.03445	0.4
137.09599	0.4
138.02710	0.5
155.03395	5.5
155.10681	1.8
173.04469	100.0
174.04811	3.6
177.01814	1.9
178.02634	6.4
179.03273	0.9
179.10736	0.3
183.89624	0.2
191.05571	1.6
199.09688	2.1
231.10178	1.0
241.10898	0.6
253.10692	0.2
270.83389	0.3
275.09183	2.1
282.46625	0.2
283.11920	0.8
307.11865	9.3
308.12143	0.9
343.14096	0.8
406.02536	0.3
449.14487	3.7
450.15161	0.6
481.17157	15.2
482.17334	2.0
493.50540	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	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.3
59.04279	0.2
65.03821	0.6
69.26533	2.0
71.01254	0.5
73.02827	0.2
85.02826	0.4
87.00766	0.3
87.04391	0.4
90.45641	0.2
93.03337	55.5
94.03654	1.6
95.01220	0.2
96.03103	0.2
96.95860	0.4
101.02329	0.4
106.87086	0.2
108.04417	0.6
109.04825	0.2
111.04414	0.2
112.22437	0.2
113.33710	0.2
134.03665	0.2
135.04486	0.3
136.04039	0.2
137.02344	100.0
138.02681	3.9
155.10701	1.8
162.08134	0.2
173.04440	0.5
179.10684	0.2
191.05537	1.0
199.09674	1.9
241.10756	0.5
253.11043	0.3
283.11844	1.0
343.13953	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	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21915	0.2
55.11507	0.2
59.01244	0.3
64.32378	0.2
69.53680	1.4
71.01254	0.5
81.03329	0.5
83.04899	1.2
85.02860	0.3
87.00772	0.4
93.03338	3.5
94.44573	0.2
97.06458	6.5
105.03282	0.3
106.04113	0.6
111.04406	3.4
121.02848	0.3
127.03951	0.3
129.01816	0.5
133.02843	3.7
134.03624	100.0
135.04486	7.4
136.04677	0.3
137.02354	2.2
139.03886	0.7
155.03403	4.1
158.41917	0.2
158.82384	0.3
173.04457	7.5
174.04770	0.4
177.01849	5.5
178.02623	20.5
179.03255	2.2
191.05473	0.9
231.10234	3.7
275.09232	4.9
276.09686	0.4
307.11841	91.9
308.12146	7.3
437.08920	0.3
481.17072	3.3
482.17538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3097
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
50.04085	0.5
59.01270	0.7
61.98682	0.6
71.48697	1.0
78.95776	24.3
79.08889	0.5
106.82899	0.5
122.00020	0.8
140.01071	4.6
152.99477	3.7
171.00577	2.1
196.03748	9.0
209.61540	0.5
214.04790	2.0
245.04298	1.8
253.21671	1.5
255.23340	0.6
257.47635	0.5
264.53372	0.6
273.07834	0.5
283.26416	100.0
284.26767	10.0
293.78323	0.5
355.41132	0.5
480.30954	28.5
481.31195	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	479.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20042	0.4
56.25695	0.4
57.03309	2.0
58.00471	0.9
59.01242	2.8
60.49218	0.4
63.30415	0.5
69.03308	0.6
69.94372	2.0
69.94784	0.9
71.01251	0.9
78.95770	9.6
83.04903	0.5
87.58823	0.4
91.28064	0.5
96.95908	0.8
99.08028	2.0
110.98409	10.1
111.08002	1.1
113.09611	3.2
125.09620	0.5
127.07511	1.1
129.09093	4.6
139.11153	0.5
141.09047	0.6
151.11177	1.1
152.99409	0.6
153.09100	0.7
153.12697	0.9
163.11214	0.8
165.12811	0.8
167.01001	3.6
167.10695	0.6
167.14279	0.7
169.12241	4.3
170.12509	0.6
171.10207	1.5
181.12270	5.1
183.13899	2.4
185.02118	9.3
193.12273	1.5
197.11749	10.7
198.12074	0.7
199.13344	5.2
201.11267	0.7
204.36577	0.5
207.10020	0.6
211.13339	16.0
212.13708	0.7
217.00273	0.8
225.11209	1.2
227.12859	0.6
243.12209	0.7
249.22099	0.5
251.05766	0.5
265.21710	1.1
275.20178	1.5
293.21191	12.0
294.21527	1.1
311.22260	100.0
312.22617	9.4
474.34274	0.5
479.24121	30.4
480.24774	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	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.5
58.00459	2.6
59.00990	2.1
59.01249	30.0
62.20308	1.5
64.54304	1.5
69.03335	1.7
71.00890	3.0
71.01254	46.4
71.04876	1.8
71.57903	1.8
72.99154	2.1
73.02832	12.4
74.81961	1.6
78.91746	6.4
81.03310	3.2
83.01251	2.9
83.04889	3.8
85.02817	9.3
87.00741	4.7
88.74165	1.8
89.02324	11.8
95.04903	3.8
97.02808	6.2
99.00734	10.7
101.02313	15.3
109.06471	22.2
113.02316	7.8
119.03309	2.0
123.07989	2.6
125.09607	11.2
127.11150	4.3
135.07951	2.1
139.07491	2.8
142.02596	3.2
144.93938	6.0
155.10674	6.6
161.04456	6.8
163.11182	15.7
164.11560	2.0
165.09111	3.5
171.10199	35.9
172.10524	2.1
179.05568	2.6
179.10706	2.5
181.12228	17.8
183.10164	3.6
185.11771	8.9
189.09155	3.4
197.11772	4.9
199.09708	3.3
199.13345	18.1
201.11250	52.0
201.96144	8.9
202.11583	2.8
207.10204	68.9
208.10497	4.9
215.12784	8.1
217.00255	3.3
225.11273	100.0
226.11604	5.4
228.81328	1.9
232.97549	2.7
243.12312	22.9
253.09250	27.6
295.10135	1.9
311.22131	3.9
348.24539	1.9
348.28860	1.9
461.20370	16.1
479.21259	78.5
480.21262	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	479.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.5
57.03325	0.6
58.00481	0.9
59.01251	10.4
60.17415	0.5
62.50844	0.4
63.79467	0.5
65.00182	0.5
69.26951	0.4
69.27291	5.2
71.01250	6.9
73.02818	5.0
74.89513	0.5
83.01249	0.8
85.02802	3.3
87.00753	0.5
87.04404	2.3
88.67647	0.5
89.02310	4.2
93.03364	0.8
94.45783	0.5
95.01258	0.7
95.04883	0.6
96.95898	1.4
97.02840	0.7
98.19827	1.3
99.00789	0.6
101.02319	4.6
107.01279	1.0
108.02076	0.6
109.02851	1.0
111.00789	1.5
113.02323	2.2
119.03401	1.4
120.99518	3.4
125.02330	1.5
127.07667	0.5
134.05989	0.9
135.04352	0.5
135.06544	4.3
135.08080	3.1
137.02321	0.6
137.09615	15.2
138.09962	1.1
139.00259	1.6
147.04416	0.7
151.00237	2.7
151.11247	0.7
152.01068	0.8
153.01674	0.5
155.10677	98.4
156.11037	5.7
159.04326	0.8
161.02419	0.7
161.04453	0.8
165.01897	0.5
169.12241	1.9
171.04424	0.8
178.99748	2.4
181.08659	2.6
187.03920	0.8
188.93010	0.6
191.05472	0.8
197.57457	0.5
199.09685	26.9
200.10040	1.5
213.11266	1.6
215.03491	1.4
216.04132	0.9
217.05074	0.7
227.03517	1.0
241.10838	5.7
242.02295	0.8
243.02966	1.9
255.02888	1.2
259.02405	1.4
270.01620	0.9
271.02509	6.5
272.02805	1.0
283.11841	0.7
285.04150	0.9
287.02097	2.6
288.02444	0.7
297.11917	0.9
299.01978	5.5
316.02243	5.6
317.03098	3.8
379.10403	1.0
473.92999	0.5
479.09000	9.2
479.21259	100.0
480.08255	1.3
480.21616	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	478.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.4
69.40875	2.3
78.95774	46.7
96.96844	2.9
100.39439	0.3
115.80943	0.3
119.06369	0.3
122.00021	0.7
140.01094	5.6
152.99481	7.7
171.00565	6.0
189.96776	0.3
196.03734	9.2
214.04803	2.3
217.28548	0.3
281.24838	100.0
282.25180	10.4
309.10941	0.3
352.66336	0.4
387.39682	0.3
478.29385	42.0
479.29742	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	479.083
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
52.74522	0.4
55.01775	0.4
58.38570	0.5
59.01246	6.4
62.94987	0.4
63.02282	0.5
65.00191	2.3
68.99677	0.7
69.03322	0.5
71.01245	2.0
73.02823	1.5
78.15653	0.5
79.50474	0.4
83.01257	1.2
85.02832	1.0
87.05904	0.4
89.02322	1.2
93.03344	1.0
95.01283	2.1
96.95868	1.1
97.02871	0.5
97.12122	0.4
98.20588	0.6
99.00775	1.7
101.02309	2.0
107.01244	2.4
108.02069	1.0
109.02839	4.1
109.06517	0.6
109.99971	4.0
111.00783	3.1
113.02335	0.9
117.03378	0.6
119.07395	0.4
120.99487	0.6
121.02838	0.5
123.00781	2.7
124.01592	2.4
125.02370	2.3
133.02795	0.7
135.00734	1.1
135.04451	0.4
136.01584	0.8
136.98676	1.1
137.02307	2.0
137.09639	1.5
137.99478	1.6
139.00270	5.2
139.03908	0.7
141.22319	0.5
146.03615	0.9
147.00768	0.5
148.01566	1.3
149.02328	1.7
151.00273	9.2
152.01047	5.0
153.01805	1.7
155.04967	0.7
155.10677	10.2
158.03638	0.6
159.04411	1.4
161.02338	1.5
163.00284	4.1
163.03972	0.7
164.01047	3.3
165.01784	1.0
165.99001	5.5
166.99779	3.3
168.00243	0.5
169.01344	1.1
171.04422	1.6
172.05202	0.9
173.02303	0.7
173.04539	1.1
173.05939	0.7
174.03116	1.0
175.03914	1.7
176.01071	0.5
177.01740	0.4
178.99776	10.6
180.00424	0.8
181.01361	0.5
181.12186	0.6
183.04430	1.4
185.02386	0.7
186.03035	1.0
187.03914	2.6
188.04619	0.7
189.01842	1.0
190.02617	0.7
190.99785	0.9
191.03441	0.5
191.05539	2.9
192.00520	0.8
193.98468	0.6
194.99187	0.9
197.02420	0.8
198.03096	1.2
199.03990	4.0
199.09662	5.4
199.13310	0.8
200.04556	0.8
201.01862	1.9
201.05482	0.9
202.02510	1.1
203.03450	3.2
204.04022	0.6
205.01308	0.7
206.99281	1.1
207.10242	1.2
208.00069	0.8
209.11568	0.5
213.01859	1.1
214.02661	3.4
215.03448	4.0
216.04103	1.4
217.01340	0.8
217.04932	0.7
218.02023	0.9
219.02991	1.0
225.11342	3.7
226.02625	1.3
227.03429	5.9
227.12717	2.1
229.01392	1.1
229.08693	0.7
229.28752	0.5
230.02110	0.7
230.38139	0.5
231.02914	3.2
232.03653	1.3
241.01457	1.5
241.10812	0.9
242.02141	5.8
243.02948	9.2
243.12384	0.7
244.03641	3.5
245.00880	0.8
245.04390	1.3
246.01369	0.5
255.02942	7.1
256.03363	0.9
258.01691	0.6
259.02435	3.9
260.02966	1.4
270.01703	9.7
271.02466	40.6
272.03146	10.2
273.03943	4.8
287.01974	16.9
287.15039	6.3
288.02628	8.2
289.03329	1.5
298.01044	2.7
299.01944	36.9
300.02402	4.5
301.03500	0.6
315.01462	2.7
316.02200	79.0
317.02917	42.6
317.12476	1.4
317.15823	1.0
318.03369	2.6
341.02939	0.6
343.06638	1.8
419.15616	1.3
435.09271	1.2
461.07120	3.4
461.20233	0.7
479.08267	100.0
479.22018	3.9
480.08594	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	478.2943
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.78509	0.3
59.01245	0.5
70.86513	1.0
78.95776	30.7
96.96835	2.1
102.68268	0.3
121.99989	0.5
128.08348	0.3
140.01054	2.1
147.17767	0.3
152.99490	5.5
171.00562	5.7
176.40123	0.3
196.03711	0.7
213.33511	0.3
214.04831	3.0
217.00301	0.3
281.24847	100.0
282.25198	9.1
422.15616	0.3
478.29370	22.4
479.29681	3.4
498.12225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10762	0.8
57.03297	1.1
59.01261	7.2
69.03314	1.7
71.01222	0.9
74.12138	0.8
78.95779	16.4
83.04919	0.9
97.02822	2.1
97.06453	1.1
98.20559	2.2
110.98415	16.7
111.08035	18.5
113.55670	0.8
118.96607	0.8
125.09611	1.0
127.07514	1.2
135.11748	0.9
137.09621	1.4
151.11208	1.1
153.12743	1.3
165.12744	1.6
167.01117	4.9
169.12250	10.8
171.10182	3.6
179.10815	1.1
181.12299	2.8
183.13818	1.7
185.02121	12.7
193.12297	1.3
197.11766	100.0
198.12093	5.7
199.13338	2.4
207.10231	1.1
209.11848	1.0
211.13316	9.8
225.14893	5.1
227.12779	2.4
263.20099	4.3
265.18106	2.1
273.18427	1.5
291.19656	24.8
292.20020	2.8
309.20700	80.8
310.21100	10.1
409.93326	0.9
477.22620	49.8
478.22815	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	477.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76591	0.7
57.03326	0.9
59.01253	10.9
69.03334	1.4
70.15815	3.6
71.01263	1.0
71.66308	0.7
73.02822	1.0
78.95779	15.1
88.48537	0.7
96.95894	1.0
109.06482	0.9
110.98412	11.9
111.08040	19.5
112.08360	0.8
117.74670	0.7
127.07570	1.4
149.49968	0.8
151.11162	1.1
153.12709	2.1
167.01125	5.6
167.10693	1.1
169.12270	8.9
171.10201	1.3
179.10622	0.8
181.12227	1.3
183.13837	1.1
185.02136	12.7
193.12360	1.1
197.11766	100.0
198.12123	5.6
199.13280	3.3
200.34326	0.7
211.13364	9.0
227.12923	1.8
263.20160	6.2
264.20459	1.0
265.18069	1.9
273.18585	0.9
276.86053	0.7
291.19653	19.4
292.19971	2.1
309.20706	75.3
310.21094	8.9
327.15738	1.1
343.25076	1.8
477.22592	47.7
478.22937	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	477.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.2
57.03316	3.9
59.01240	7.1
59.56691	1.0
60.85252	1.0
69.03316	2.0
69.53778	5.1
69.54182	2.5
71.01251	2.1
71.04901	1.3
78.95773	21.2
80.02538	1.1
81.03328	3.8
83.01252	11.2
83.04899	5.8
95.04904	2.6
97.02848	1.7
97.06462	4.4
98.03620	1.4
100.59333	1.0
110.98411	19.0
111.07987	1.3
113.09599	1.5
121.02885	1.7
123.04394	2.5
123.08056	2.8
125.05977	2.1
125.09612	13.5
127.11172	1.3
135.08046	2.1
137.09631	2.3
139.11182	8.1
140.89528	5.0
151.11171	4.4
161.09589	1.5
162.10435	1.4
163.11217	9.8
165.12772	21.5
166.13145	1.2
167.01028	6.9
167.10634	6.3
168.11244	1.5
171.10184	1.1
179.10643	2.0
179.14322	1.3
181.12262	9.3
183.13814	1.4
184.88522	11.4
185.02118	23.7
191.10753	7.0
193.12288	1.6
193.15926	5.1
197.11736	1.8
205.14175	1.0
207.10246	2.5
209.11765	100.0
210.12041	6.4
211.13290	2.1
219.17494	1.2
225.11266	1.2
247.20618	13.4
248.21068	1.1
263.20276	1.6
265.21713	4.4
273.18628	3.3
281.21228	2.1
291.19650	91.7
292.19910	8.6
309.20694	93.8
310.21033	8.8
477.22565	44.8
478.22775	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	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31324	0.7
55.01753	1.1
57.03323	2.7
59.01251	35.7
63.02248	1.0
69.03326	3.8
71.01254	13.1
71.04887	3.3
71.57587	1.4
72.99187	3.2
73.02817	4.4
74.02338	2.3
75.00736	1.1
77.51263	0.6
81.03312	1.8
81.12441	0.7
83.01264	2.3
83.04898	2.4
85.02827	5.8
87.00738	3.6
89.02313	6.3
89.68770	0.7
93.03320	3.1
95.04913	0.9
96.95909	4.3
97.02836	1.8
97.06467	1.7
97.44704	0.6
99.00757	1.7
101.02320	11.0
105.01836	1.2
107.01276	1.5
109.02831	3.0
111.04405	2.3
113.02333	8.1
118.97962	1.9
119.03382	2.4
123.04410	1.3
123.08059	1.6
124.01524	1.0
125.02306	0.9
125.09640	1.8
131.03412	0.7
134.03659	0.8
135.04376	2.8
135.98248	1.4
137.09543	1.0
149.09592	0.8
151.00276	5.1
151.11197	2.6
152.01013	1.3
153.01787	3.8
153.09132	0.9
153.12762	2.6
155.10661	2.0
161.02295	0.9
161.04472	2.9
161.09660	2.7
169.01329	0.9
171.10234	0.8
173.04498	2.9
175.02373	1.5
178.99791	1.5
179.03513	1.1
179.05484	1.1
179.10670	7.9
191.05528	9.3
192.05942	1.4
195.10173	1.8
197.11760	100.0
198.12082	5.3
199.03883	4.0
201.01952	1.6
201.76428	0.7
205.08672	2.5
209.11804	3.9
215.03429	3.3
223.09731	6.1
224.12990	0.8
227.03384	3.7
228.03786	1.3
235.06029	0.8
241.10799	13.4
242.02098	8.9
242.11247	0.9
243.02930	34.3
244.03317	3.0
253.09306	6.9
255.02954	1.7
257.04547	11.1
258.05029	1.0
270.01709	9.8
271.02466	33.9
271.10605	1.4
272.02994	7.7
285.04013	20.6
285.07162	1.4
286.04678	6.8
297.12405	1.6
299.01932	7.7
300.02710	5.4
301.03204	1.1
314.04303	39.4
315.04938	8.3
315.09604	0.9
316.05472	1.2
324.18210	0.8
417.25037	1.2
435.26266	1.2
459.18842	2.0
477.10406	69.4
477.19769	97.7
478.10742	9.4
478.20102	11.3
478.25797	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	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.2
57.03327	1.4
59.01253	21.7
69.03339	3.9
71.01253	10.6
71.04879	2.7
71.57448	1.0
72.99181	1.1
73.02823	3.7
74.02341	1.7
75.00751	0.7
83.01267	2.1
83.04926	0.6
85.02802	2.7
87.00745	2.8
88.49608	0.5
89.02313	7.0
93.03349	1.8
95.01286	1.0
96.95905	1.3
97.02859	0.5
97.06505	1.2
99.00766	1.3
101.02322	9.6
109.02829	0.7
111.04418	0.8
113.02348	5.1
115.00312	0.7
119.03420	2.0
123.04381	0.6
123.08059	1.3
125.06029	0.6
125.09614	2.0
135.04393	1.1
137.02350	0.9
139.87051	0.6
143.03358	0.9
151.00339	1.0
151.11194	2.3
153.12744	1.9
161.04445	2.2
161.09587	3.1
165.01875	0.7
173.04442	1.6
175.02402	1.2
179.05490	1.0
179.10710	9.9
191.05560	2.6
197.11772	90.8
198.12102	5.1
209.11755	0.9
218.06134	0.6
223.09746	3.0
225.11342	0.6
241.08606	1.0
241.10818	8.9
253.09268	5.9
279.10968	0.7
459.18381	0.9
477.19708	100.0
478.20059	11.1
478.26126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	0.3
68.17709	0.3
70.63133	0.8
78.16254	0.2
78.95773	11.4
80.87861	0.2
95.46317	0.3
95.70140	0.3
96.96809	0.6
106.94664	0.3
114.52151	0.3
140.01091	1.8
152.98367	0.4
152.99460	1.6
170.14207	0.3
171.00516	1.4
190.56847	0.3
196.03746	1.0
214.04825	3.0
261.22061	0.4
265.28766	0.2
279.23279	100.0
280.23599	10.9
369.36472	0.3
455.02408	0.3
476.27829	10.5
477.28036	1.5
503.72565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.8
63.02270	0.4
65.00188	0.6
71.01260	1.9
73.02824	0.9
73.04675	0.3
74.02289	0.4
83.01250	1.1
83.04863	0.4
85.02821	1.5
87.00761	0.4
89.02320	1.4
89.61145	0.4
94.23067	0.4
96.95893	1.1
97.06461	0.5
101.02318	1.5
107.01240	0.8
109.02827	0.7
113.02312	0.7
118.08562	0.4
119.03378	0.4
125.02325	0.9
133.02861	0.7
135.04388	0.8
137.02322	0.5
144.68225	0.3
151.00276	3.7
153.01820	1.0
155.10692	0.4
157.02861	0.4
160.34219	0.3
161.04419	0.6
164.00891	0.4
169.01318	0.5
171.04449	1.3
173.04433	0.5
175.02377	0.4
178.99796	0.8
183.04457	0.5
187.03886	0.8
191.05562	1.3
197.11777	3.0
199.03928	5.7
201.01872	1.9
203.03358	0.8
204.04185	0.6
205.08681	0.4
215.03459	4.1
225.01756	0.9
226.02657	1.2
227.03464	5.3
229.01439	0.9
229.61951	0.4
241.01465	0.3
242.02168	11.7
243.02950	51.8
244.03282	3.6
253.09233	0.5
255.02913	1.3
257.04517	15.9
258.04865	1.3
270.01685	13.6
270.04630	0.6
271.02454	52.2
272.02863	4.7
285.04031	29.2
286.04752	9.8
286.96823	0.4
287.05020	0.8
299.01956	12.0
299.05328	0.7
300.02701	8.2
301.03186	0.8
313.03555	0.8
314.04306	57.8
315.04929	14.8
316.05402	0.6
357.06235	1.5
449.10715	0.5
477.10355	100.0
478.10715	13.6
478.16190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3793
Annotation	Sipholenol F
Peak:m/z	Relative Intensity
58.04518	0.3
59.01233	1.3
69.47151	2.9
81.93343	0.3
85.06455	4.4
94.53889	0.3
96.95927	0.3
97.06464	0.6
99.08050	0.4
170.00990	0.3
403.35422	1.0
414.91193	0.3
431.38861	8.3
432.39322	1.1
475.37875	100.0
476.38208	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
62.96260	0.3
70.10178	0.9
78.95773	19.2
81.15345	0.3
121.99984	0.9
140.01086	6.4
152.99500	1.6
196.03729	10.7
214.04758	2.2
261.22290	0.7
278.48721	0.3
279.23270	100.0
280.23599	11.1
448.39041	0.3
476.27811	26.3
477.28168	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	475.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01584	2.2
64.24542	1.2
69.03337	1.2
71.01245	3.6
72.99187	1.6
73.02824	1.5
79.89712	1.0
80.59823	1.0
83.01278	1.2
83.04906	1.8
85.02827	2.2
87.41199	1.1
91.03915	5.4
93.03342	1.1
99.04405	1.2
99.17260	1.0
101.02312	2.0
118.97942	2.1
120.99551	1.2
121.06471	1.9
135.04433	1.4
139.07516	2.0
149.27060	1.1
155.37051	1.2
170.98343	1.1
171.10168	3.7
173.04471	1.8
183.13826	1.6
191.05534	2.0
209.11763	23.7
217.00363	1.7
225.14946	1.6
275.87988	1.0
289.18051	1.6
341.23309	26.8
342.23709	3.0
401.23410	1.6
475.29083	5.5
476.19650	1.1
501.63962	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.03348	0.6
59.01251	100.0
60.01588	1.1
71.01256	8.8
72.99203	1.4
73.02819	2.6
74.98978	0.7
78.95779	0.8
80.16753	0.6
83.01263	1.3
83.04890	1.3
85.02808	3.8
87.00776	1.6
89.02332	4.1
93.03343	2.6
95.01307	0.9
96.95887	0.7
97.06475	0.7
98.20656	0.8
101.02322	5.3
109.02831	0.8
111.04403	0.7
113.02335	3.1
118.42288	0.5
118.97989	2.7
119.03414	1.0
119.08595	0.7
121.06505	0.7
125.02329	0.5
125.09625	0.7
127.03940	0.7
133.02846	0.5
135.04419	2.6
135.98273	0.6
151.03868	0.8
161.02347	0.7
161.04486	1.1
167.06027	0.8
171.10182	4.1
172.05203	0.6
173.04468	3.3
180.06627	1.0
191.05545	5.5
209.11783	0.9
227.16614	2.4
229.68225	0.7
281.10425	0.9
283.13519	2.4
289.18265	2.1
301.14566	0.6
303.84323	0.6
307.19229	0.6
345.17154	0.8
354.12732	0.8
355.21356	2.1
373.22302	8.0
374.22656	0.8
415.23257	10.2
416.12656	1.9
416.23947	1.0
433.24109	4.0
475.25500	12.3
476.19992	1.4
476.26212	3.0
490.85614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
57.03321	0.5
59.01251	100.0
60.01582	1.3
63.96111	0.3
69.03335	0.4
69.24898	1.5
69.25330	1.1
71.01252	6.0
72.99183	0.8
73.02816	2.1
74.02370	0.3
75.55029	0.2
76.12449	0.2
76.80753	0.2
83.01250	1.5
85.02827	3.0
87.00753	2.9
87.04443	0.3
89.02320	1.9
93.03337	6.0
94.03722	0.3
95.01293	0.8
95.04910	0.3
96.95900	1.3
96.99198	0.4
99.00773	0.5
99.04433	0.3
101.02319	4.0
102.02655	0.2
107.04941	0.4
108.02084	0.6
109.02822	2.2
110.03207	0.2
111.00767	0.4
113.02348	2.6
117.03381	0.5
117.97208	0.6
119.03485	0.9
119.04917	24.4
120.05270	0.9
121.02843	0.9
123.00786	0.3
123.04427	0.9
125.02356	0.8
133.02855	0.8
134.03635	16.0
135.04362	1.0
135.98262	2.2
136.01582	0.5
137.02347	12.4
138.02710	0.5
139.03906	0.9
143.03426	0.5
143.04587	0.3
145.02876	1.0
149.05989	5.1
150.03201	0.5
151.00305	0.8
152.01051	0.8
153.01843	3.2
155.10706	0.7
161.04478	1.0
163.03918	11.8
164.04282	0.7
165.05548	0.3
167.03392	2.6
173.04465	1.3
175.03990	0.4
177.01978	0.3
177.05473	1.8
178.02632	9.5
178.99825	0.3
179.03290	0.9
191.03783	0.3
191.05530	4.1
193.04987	15.6
194.05344	1.1
194.18983	0.3
207.05002	0.4
221.11661	0.2
227.03514	0.6
239.12917	0.3
253.04808	0.7
255.03032	0.7
256.03342	0.3
268.07532	0.6
271.02515	0.3
271.19211	0.4
281.06665	12.3
282.07056	1.3
283.09769	0.6
284.03348	1.0
285.04022	0.3
297.06149	4.0
298.06500	0.3
309.07660	0.5
311.07684	5.4
312.06204	0.4
323.09247	0.7
324.06616	0.3
327.08884	1.7
339.08765	2.2
339.12289	0.4
342.11026	1.9
354.11246	0.5
357.13385	4.7
358.13843	0.5
369.13458	3.9
370.13776	0.5
373.22043	0.3
415.23410	3.6
416.23911	0.6
431.13828	1.2
433.24405	1.3
475.12567	15.9
475.22598	1.3
475.29852	2.3
476.12921	2.3
501.11963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.7
59.01249	100.0
60.01587	1.0
66.30626	0.5
71.01257	3.9
71.57974	0.4
73.02827	1.8
74.02354	0.9
74.98985	0.5
83.04855	0.7
85.02818	2.3
87.00738	1.1
89.02313	2.1
93.03348	1.6
96.95908	0.6
97.06467	0.6
101.02311	2.7
108.60462	0.4
113.02346	2.1
115.16924	0.5
118.98016	1.6
119.03419	0.5
121.02842	1.5
135.04410	0.7
161.02449	0.6
161.04414	0.7
171.10197	1.5
173.04530	2.5
173.05862	0.5
180.11284	0.4
187.03964	0.6
191.05536	3.1
194.86882	0.5
209.11740	0.9
270.01874	0.7
271.02539	1.0
273.07663	0.6
283.13519	0.8
355.21274	0.6
373.22391	4.0
415.18335	0.7
415.22958	2.6
475.25082	1.6
476.19595	0.9
503.08096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74026	0.4
55.01751	0.5
57.03326	0.6
59.01252	29.9
60.01595	0.5
65.09124	0.4
69.03320	0.7
71.01254	12.3
71.04857	0.6
71.57916	0.5
72.99155	1.0
73.02824	4.1
75.00752	0.5
78.95792	0.5
83.01263	2.3
83.04866	1.3
85.02824	5.8
85.99976	0.4
87.00748	3.4
89.02303	3.8
93.03318	1.2
95.01274	0.9
95.39088	0.4
96.95852	0.7
97.06477	1.1
99.00711	1.0
99.04382	0.9
101.02325	6.8
109.06448	0.9
111.08045	3.1
113.02320	3.7
115.07526	0.8
118.97964	1.5
119.03395	0.8
124.01552	0.7
125.02306	0.5
127.11179	3.5
131.91922	0.4
133.02840	0.5
135.04404	2.5
139.11177	1.1
153.12755	0.8
155.10687	5.2
161.04446	0.5
171.10141	1.2
173.04424	1.4
182.98373	0.4
183.17467	3.7
185.11787	0.7
191.05499	1.9
209.11775	0.9
225.91507	0.5
227.16470	63.4
228.16805	5.0
253.18092	3.9
255.19550	0.5
265.18222	0.6
271.19205	3.5
281.17624	1.0
289.18076	1.9
295.18884	0.5
415.23315	14.4
416.23550	1.5
433.24384	30.8
434.24762	4.0
464.50092	0.5
475.25461	100.0
476.18906	0.8
476.25854	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	475.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76136	0.6
57.03348	1.5
57.58358	0.7
58.00484	0.9
59.00973	1.4
59.01249	41.5
60.01630	0.7
69.03358	0.8
69.24358	6.2
71.00405	0.7
71.00877	0.8
71.01254	14.2
71.04939	0.8
72.99218	1.7
73.02821	5.7
74.99001	1.6
81.03371	0.7
82.50583	0.6
83.01297	1.5
83.04921	1.6
85.02818	6.2
87.00806	2.1
87.04385	8.5
87.04866	0.6
87.73704	0.6
89.02302	3.5
93.03350	1.6
94.04201	0.6
95.01291	1.0
96.95918	2.2
97.02856	1.7
97.06493	0.7
99.00755	0.9
99.04454	1.4
101.02324	9.0
111.04432	0.8
113.02324	4.5
118.97961	9.2
119.03403	1.1
125.02402	1.0
131.03415	0.7
131.07022	3.9
134.06030	0.7
135.04445	1.1
135.08066	2.8
137.09613	20.6
138.09990	1.0
139.11203	1.7
143.03387	0.9
151.11194	0.9
155.10678	100.0
156.10986	4.0
161.04443	0.9
169.12259	5.4
173.04468	2.1
179.03424	1.4
181.08662	4.6
185.11731	0.7
191.05569	4.1
197.11813	0.7
199.09677	48.6
200.09953	3.0
209.11699	1.9
209.15225	0.7
213.11256	6.5
227.16420	8.1
241.08389	1.2
241.10767	19.2
242.11014	1.0
253.14191	1.1
253.18048	0.7
262.63998	0.8
271.02386	0.8
271.11816	0.8
271.19226	3.1
275.11090	0.8
295.18982	1.2
301.12900	5.2
302.13287	0.6
361.14706	1.4
415.23224	5.6
433.24347	8.7
434.24112	1.1
457.20230	1.2
475.21121	90.0
476.21201	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	475.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.8
57.03314	1.6
57.20093	0.8
59.01255	11.4
59.60164	0.9
61.98703	1.9
62.20625	0.9
69.03316	1.5
71.01240	1.7
71.57203	1.3
74.02934	0.8
78.95779	9.9
79.45296	0.8
80.02562	2.3
81.03337	3.5
83.01277	3.4
83.04891	5.5
93.03331	1.4
95.04904	4.2
97.02833	2.7
97.06462	4.5
99.43031	0.9
101.02329	1.2
106.04121	1.2
109.06488	2.6
110.98428	11.1
111.04416	1.3
113.05988	4.7
116.71945	0.8
121.06522	1.5
122.19789	0.8
123.04419	4.1
123.08064	2.4
125.05984	1.6
125.09605	9.7
127.07628	1.1
135.08087	2.6
137.05978	1.1
137.09604	4.9
142.02661	1.1
149.09612	1.0
152.99536	0.9
161.09636	1.3
163.07515	1.4
163.11215	10.4
165.12764	2.3
167.01035	2.8
167.10661	1.0
171.10173	3.1
177.12740	1.2
181.12288	1.7
185.02147	10.9
185.11729	5.5
189.12801	1.1
191.10730	3.3
191.14310	6.4
192.01909	0.9
195.13992	1.0
205.27113	1.0
207.10201	4.3
209.11771	100.0
210.12134	4.9
211.13370	3.2
217.00294	2.0
225.11237	3.0
245.19073	14.9
246.19461	1.7
247.13408	1.3
271.17172	1.2
289.18091	48.2
290.18451	6.4
307.19144	29.8
308.19485	3.1
383.22305	1.1
401.23285	3.7
420.44897	0.8
475.20944	19.6
475.27148	8.5
476.21320	3.5
476.27277	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	475.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
55.14058	0.8
57.03320	4.0
59.01252	11.5
64.88129	0.9
67.01742	1.1
68.24815	0.8
69.03339	1.6
69.98383	0.8
70.97591	0.7
71.01241	1.4
73.02821	1.4
78.95776	24.3
80.02544	2.3
81.03327	5.9
81.98114	0.8
83.01257	9.7
83.04874	5.0
85.02853	1.3
87.76891	0.8
95.04899	4.1
96.16265	0.7
97.02831	5.5
97.06461	10.7
97.16541	0.7
106.04166	0.9
108.02003	0.9
109.06474	2.4
110.03615	1.4
110.98407	24.0
111.08029	1.5
113.32900	0.8
119.04952	1.1
119.08553	1.5
121.02833	1.3
121.06467	2.3
123.04396	8.4
123.08022	4.8
125.05994	1.4
125.09602	19.0
135.08070	3.1
136.05182	0.9
136.08415	1.1
137.05948	1.2
137.09628	8.6
139.11095	0.9
141.12726	1.9
142.02577	1.5
147.11687	0.9
147.49716	0.9
149.05945	1.6
149.09608	1.3
151.11191	2.5
152.99458	1.4
153.09013	1.0
161.09610	1.7
163.07523	1.0
163.11201	16.6
164.11476	1.5
165.12733	3.5
167.01038	8.3
167.10707	2.7
171.10213	2.0
177.12711	1.8
179.10681	2.7
181.12242	5.5
185.02136	22.4
185.11746	13.7
186.12097	1.2
191.10779	4.3
191.14326	17.7
192.11095	1.0
192.14708	1.6
197.11719	1.5
207.10240	8.9
209.11763	87.9
210.12102	5.6
211.13373	2.2
217.00232	2.4
217.15855	1.7
225.11263	9.3
226.11732	1.3
227.17896	1.2
243.17557	1.3
245.19066	35.7
246.19440	4.1
247.16852	1.1
263.20105	2.0
271.16968	3.2
279.19675	1.3
289.18088	100.0
290.18497	9.2
307.19141	64.9
308.19556	8.5
322.07928	0.9
401.23495	1.2
459.73471	0.9
475.20990	49.0
476.21481	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	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.7
58.00470	1.7
59.01253	38.3
69.58907	4.6
69.59335	3.4
71.01251	22.1
72.99187	2.2
73.02808	1.6
83.01259	2.2
83.04898	1.4
85.02838	6.0
87.00761	2.3
89.02308	16.3
93.03320	1.4
95.01244	1.9
96.95889	3.1
97.06534	1.6
101.02323	13.6
109.02850	2.0
113.02311	7.4
119.03376	5.7
121.06473	1.7
122.03633	10.4
135.04387	1.6
137.05969	8.5
139.07574	1.2
149.09604	1.4
161.04471	1.2
164.04774	1.2
165.05440	2.0
173.09641	2.6
179.07092	3.9
180.68971	1.0
191.05515	4.8
191.10690	12.0
235.09616	1.6
337.09247	1.3
415.16077	100.0
416.16360	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	475.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94228	0.6
57.03313	1.1
59.01252	49.8
60.01583	1.3
61.01661	1.1
67.01774	1.2
69.03330	1.0
70.96354	0.7
71.01251	9.9
71.04845	0.6
71.57647	1.1
72.99161	1.0
73.02814	4.7
74.58997	0.6
81.03333	1.6
83.01255	1.5
85.02829	5.8
87.00755	2.5
89.02327	3.1
91.01767	0.7
93.03313	3.7
95.01270	1.2
96.95884	4.7
97.06452	0.7
99.00753	0.9
99.04376	1.0
101.02317	6.4
108.02070	2.1
109.02831	6.7
111.00755	1.3
111.04403	1.0
113.02338	5.3
117.03401	0.7
117.97211	0.8
119.04918	100.0
120.05239	4.8
121.02852	2.1
123.00770	1.1
123.04429	4.0
125.02334	2.4
134.03636	1.7
135.04428	2.4
135.98236	3.1
137.02362	2.1
145.02870	3.0
149.02364	0.8
149.05980	1.3
150.03194	0.8
151.00294	2.9
152.01089	3.6
153.01860	12.8
155.10669	0.9
157.50558	0.6
160.01627	1.5
161.04497	1.6
163.03918	50.7
164.04292	2.7
165.05472	0.7
166.02667	0.7
167.03403	8.6
168.03896	0.8
173.04454	2.5
175.03934	2.1
177.05493	7.3
178.02768	0.7
179.03407	2.0
191.05533	9.0
193.05020	1.4
271.02548	1.2
271.09778	3.4
271.19272	0.8
281.06769	1.7
296.05490	1.1
297.06161	18.7
298.06461	1.1
311.07733	24.2
312.08044	1.9
337.09195	0.8
365.26141	0.7
415.23386	6.7
433.24411	2.8
475.12543	21.1
475.22699	3.6
475.29541	2.6
476.12796	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.0
70.79095	1.1
71.01252	0.5
76.38139	0.4
78.95774	29.8
86.68915	0.4
105.47330	0.4
121.99999	1.3
131.42514	0.4
140.01082	7.2
152.99478	2.2
171.00552	0.5
172.32526	0.4
196.03726	14.7
201.21857	0.4
214.04831	3.8
233.22688	0.6
259.20575	0.6
277.21710	100.0
278.22049	11.5
371.02850	0.5
474.26248	28.7
475.26501	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	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23548	0.3
56.31194	0.3
59.01244	1.0
67.21036	0.3
70.00133	0.7
70.00534	0.8
75.01577	0.3
78.95776	63.9
79.01492	0.4
80.72449	0.3
83.39240	0.3
96.96841	4.7
98.19869	0.4
110.76338	0.3
111.15571	0.3
140.01076	2.6
152.99486	8.7
171.00552	7.9
196.03790	1.6
214.04788	3.1
233.22601	0.3
275.20209	0.6
277.21707	100.0
278.22055	10.8
298.43784	0.3
331.39902	0.3
400.22586	1.1
474.26239	36.6
475.26529	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	473.2906
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
57.03315	1.1
59.01250	10.2
64.42403	0.8
65.89691	0.6
69.99458	2.2
69.99879	1.7
73.02859	0.9
73.96655	0.7
83.04886	1.4
93.06968	1.1
98.19807	1.0
99.04411	3.8
101.05962	14.0
109.06480	3.2
113.05925	1.4
121.06479	73.0
122.03635	1.5
122.06799	2.3
125.05963	0.9
135.04366	0.9
137.05983	8.2
139.07559	7.4
142.51743	0.8
154.84340	0.8
174.99184	1.7
187.62538	0.8
209.11813	1.3
217.00243	10.2
229.12163	1.0
255.17636	1.7
259.20691	1.0
271.20609	4.6
272.21094	1.1
273.22223	11.9
274.22601	1.7
313.25415	1.3
315.19629	18.1
316.20013	2.0
317.21201	1.3
337.25372	1.6
357.24542	1.2
375.26892	2.7
393.27969	2.8
399.25433	2.1
419.25842	2.9
435.77618	0.8
437.26926	5.0
455.27985	50.6
456.28452	7.9
473.29156	100.0
474.29419	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	474.1771
Annotation	Dauricoside
Peak:m/z	Relative Intensity
57.03322	0.7
57.03703	0.4
59.01248	14.7
65.00183	1.1
69.27045	4.4
70.27351	0.4
71.01250	4.6
72.94315	0.4
73.02819	2.5
74.02347	0.7
75.00735	0.9
83.01260	1.1
84.14991	0.4
85.02822	1.8
86.02320	0.5
87.00746	1.4
89.02313	1.9
93.03327	1.9
95.01245	0.6
96.95892	2.1
99.00746	0.5
100.91361	0.4
101.02314	3.4
107.01281	1.3
109.02850	0.4
113.02312	2.4
119.03375	0.7
119.04902	1.0
121.02833	0.8
124.01568	0.7
125.02351	1.1
133.02888	1.0
133.05217	1.5
134.03641	2.6
135.04408	12.4
136.04842	0.6
137.02345	0.6
147.04372	2.3
148.05199	41.8
149.02379	0.4
149.05948	2.0
150.03123	1.1
151.00287	3.9
152.01012	0.9
158.19925	0.4
161.02341	0.5
161.04486	1.1
162.06847	0.5
163.43025	0.4
173.04475	0.6
175.02490	0.4
176.03427	3.8
177.01762	0.5
177.04192	1.8
178.05011	26.9
178.99763	1.7
179.05336	1.3
190.05011	10.3
191.05560	1.8
226.70085	0.4
253.08745	1.2
255.02954	0.5
269.00903	0.6
277.71872	0.4
282.52121	0.9
283.02332	0.6
291.02124	0.7
292.02930	5.2
297.10046	11.4
298.10471	1.0
299.01886	0.7
300.02652	0.6
304.06796	2.4
312.12396	100.0
313.12766	8.7
357.07187	0.8
357.57642	0.5
373.05582	3.7
394.06131	5.5
403.04556	1.0
410.67346	0.4
414.57507	0.5
415.22983	0.6
474.17740	3.5
475.17606	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	473.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10111	0.5
56.76823	0.5
59.01237	1.9
59.06046	0.4
77.03824	1.1
78.95798	0.6
87.69810	0.5
93.12933	0.5
95.04901	2.5
105.03342	12.5
106.03667	0.7
121.02841	1.4
123.04412	1.3
132.02052	1.9
133.02846	53.0
134.03571	3.1
135.04449	3.1
137.02341	4.4
139.03902	1.1
147.04427	0.6
148.05196	3.4
149.02327	0.7
160.01569	2.8
161.02350	11.8
161.05969	1.6
162.02954	0.7
175.03891	2.1
177.01875	6.4
178.02556	2.9
179.03383	2.2
189.95538	0.6
194.02159	1.0
218.13231	0.5
225.14899	2.1
233.08192	1.4
247.09720	2.1
261.11255	1.2
275.12909	1.7
275.16049	0.5
285.87271	0.5
305.24966	0.9
315.15875	2.6
317.17389	1.2
329.17569	0.8
343.15469	7.2
344.16122	0.8
345.17059	8.6
346.17361	1.1
357.17154	1.4
358.17276	0.7
359.18585	5.4
360.18927	0.9
369.16980	0.5
373.20422	0.6
387.18069	3.4
388.18060	0.6
441.26541	3.1
455.28171	0.6
458.26740	11.5
458.33337	0.6
459.27081	2.1
473.29059	100.0
474.29410	16.4
474.35437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31176	0.9
57.03316	3.4
58.00467	2.5
59.01251	99.0
67.01759	1.7
70.64548	3.7
71.01254	41.4
72.99171	3.8
73.02809	4.2
76.13949	1.1
78.95769	1.5
81.03318	2.1
83.01252	3.0
83.04910	1.5
85.02810	8.8
87.00735	5.8
89.02319	34.7
92.10334	1.0
93.03323	3.4
93.06971	1.0
95.01263	4.2
96.95874	4.3
97.02871	1.1
97.06463	2.1
99.00797	1.6
99.04400	1.6
101.02322	22.0
111.04418	1.8
113.02334	13.8
113.09605	2.6
115.00222	1.1
118.97968	1.3
119.03385	17.0
125.02309	1.2
131.03320	2.1
133.02879	1.4
133.06509	1.4
134.06033	1.0
135.04391	4.9
135.08064	10.7
135.98268	1.1
137.02304	1.5
137.09641	1.1
140.63637	1.3
143.03398	2.5
147.04427	1.4
149.04440	1.5
152.99503	1.3
153.09117	1.2
153.26726	1.1
155.10689	1.5
160.07475	0.9
161.04457	4.0
173.04478	4.4
177.12802	1.7
179.03432	3.3
179.05617	5.7
179.06912	1.3
183.14001	0.9
191.05534	6.6
205.15866	1.4
231.17517	13.1
233.15424	4.4
249.18532	12.5
250.18988	1.2
251.16428	2.1
269.17505	1.1
293.17560	16.7
294.18027	1.4
300.08664	2.1
311.18652	5.3
376.06476	1.4
413.21478	1.3
423.28952	2.8
431.22366	1.5
455.32260	1.4
473.23865	100.0
473.31747	3.5
474.24203	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	473.2906
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
50.00261	0.4
55.67443	0.4
59.01252	1.7
60.85831	0.5
69.67475	1.0
69.67905	1.6
77.03844	1.2
78.95818	0.4
80.23711	0.4
89.03842	0.7
93.03349	0.6
95.04901	2.4
98.20493	0.4
105.03343	13.8
106.03677	0.5
119.04883	0.7
121.02835	1.0
123.04422	1.8
132.02084	1.3
133.02849	57.3
134.03600	3.1
134.04669	0.8
135.04419	3.5
137.02345	4.6
139.03946	1.1
145.02814	0.4
147.04427	0.9
148.05202	2.1
149.02354	1.3
150.03137	0.7
151.03853	0.5
159.74687	0.4
160.00412	0.5
160.01537	2.7
161.02351	11.0
161.03697	0.6
161.05972	2.1
162.02873	0.8
175.03915	1.9
175.58557	0.4
177.01836	3.9
178.02655	3.5
179.03401	1.5
181.12247	0.7
193.05009	0.6
193.68523	0.5
194.02184	0.6
225.14951	1.6
233.08121	1.3
240.57524	0.4
247.09743	1.4
261.11377	1.5
275.12936	1.9
275.16727	0.5
279.23328	0.9
292.62753	0.4
299.20361	0.6
305.24860	1.4
315.15945	3.6
316.16531	0.7
317.17560	1.8
329.17505	0.7
332.53412	0.4
333.17383	0.5
338.30078	0.5
341.17563	0.5
343.15491	6.8
344.15967	1.6
345.17093	8.4
346.17651	1.0
357.17072	1.1
358.17892	0.9
359.18652	6.4
360.19034	0.5
369.17310	0.7
373.20206	0.8
387.18088	4.2
441.26315	3.2
452.25867	0.4
455.28018	0.8
457.26291	0.5
458.26691	9.3
459.27011	1.2
473.29077	100.0
474.29437	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	473.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40372	0.3
57.17725	0.3
58.02850	0.6
59.01250	100.0
60.01590	1.2
71.01259	3.1
72.99156	0.4
73.02818	1.2
74.02346	4.0
79.95602	0.5
83.01260	0.4
83.04908	0.3
85.02831	1.4
88.18657	0.3
89.02325	0.6
93.03337	0.8
96.95895	1.5
98.02393	0.4
99.00755	0.4
101.02332	2.6
106.53120	0.3
109.02858	0.3
113.02371	1.0
116.03432	1.5
116.04948	1.8
121.02834	0.6
135.04404	0.5
135.98297	0.4
136.94106	0.4
137.09589	0.4
139.11192	0.5
142.06525	0.4
155.10724	0.8
159.09167	0.3
161.04486	0.5
173.04459	0.8
185.21002	0.4
191.05557	1.7
203.06474	0.6
203.08211	6.5
209.15474	1.1
225.15100	0.4
229.41370	0.4
237.32129	0.4
245.09299	3.6
353.19754	0.5
371.20697	1.0
413.21420	2.1
429.21265	2.8
431.22296	0.4
455.21899	0.6
473.22995	10.7
474.17712	0.5
474.23569	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	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01593	1.1
70.55262	1.4
71.01261	2.1
72.99196	0.5
73.02824	1.1
85.02837	1.5
89.02322	0.9
96.56282	0.4
101.02358	1.6
111.90874	0.4
113.02325	1.1
119.03444	0.7
122.82815	0.6
135.04462	0.7
174.55968	0.5
191.05566	1.1
269.17798	0.6
301.00894	0.5
323.21585	0.5
413.21982	0.6
473.23923	5.2
474.24673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.7
59.01250	100.0
59.89931	0.2
60.01582	1.2
69.59705	1.8
71.01249	2.9
73.02825	1.4
74.12650	0.2
83.01283	0.4
83.04906	0.7
84.01589	0.2
85.02819	1.3
87.00756	0.8
89.02329	1.0
93.03345	0.6
95.01274	0.3
96.95924	0.8
97.06456	0.5
99.00767	0.4
99.04396	0.3
101.02341	2.3
107.04935	0.9
113.02336	1.6
114.89631	0.2
119.03391	0.2
120.05727	0.4
125.02384	0.3
133.02849	0.3
135.04463	0.4
161.04512	0.8
161.09698	1.3
161.13326	1.0
166.05064	0.3
173.04474	0.5
174.85968	0.3
179.10692	0.5
187.11214	2.3
189.09169	1.1
191.05569	1.6
203.10844	0.4
204.10599	0.2
205.12225	1.2
207.10194	0.4
223.08249	1.1
231.10413	0.3
242.92085	0.3
249.11366	0.7
267.12405	0.6
293.09274	0.4
355.17856	0.3
473.20145	6.2
473.26041	0.7
474.20718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.2
59.01250	100.0
60.01577	1.3
63.96126	0.2
66.16525	0.2
69.57513	0.6
69.57934	0.9
71.01251	1.9
73.02822	0.6
81.04367	0.2
83.01277	0.3
85.02818	0.6
87.00736	0.2
89.02330	0.8
96.95915	0.4
101.02338	1.4
113.02361	0.7
119.03415	0.5
126.46330	0.2
131.81261	0.2
154.96315	0.2
161.04472	0.4
170.44325	0.2
191.05611	0.4
255.01091	0.2
353.44907	0.2
371.20773	0.7
413.21771	0.5
420.75238	0.2
473.23572	1.4
474.23828	0.4
496.32391	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	473.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01584	1.1
61.98688	0.9
78.95776	16.7
80.36369	1.0
86.03069	1.0
96.96821	2.0
98.20669	1.9
116.64132	0.9
152.99466	2.6
159.25797	0.9
162.83757	1.2
171.00540	2.4
174.99097	3.2
217.00272	14.6
218.00522	1.7
229.29297	1.0
229.42223	0.9
285.44882	1.0
315.10959	1.2
474.26114	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	473.2288
Annotation	XMD8-92
Peak:m/z	Relative Intensity
57.03321	0.6
58.02845	9.4
59.01250	42.7
60.01584	0.7
69.33958	4.2
69.34373	1.0
70.02847	6.1
71.01247	1.3
72.00780	5.1
72.04414	1.8
74.02342	51.9
78.85697	0.5
84.04447	0.7
85.02792	0.8
87.00746	0.7
91.10872	0.5
93.03337	1.0
96.95892	0.8
98.02345	6.3
101.02303	0.8
113.02301	0.6
116.03442	14.6
116.04937	30.2
117.05293	1.2
130.06491	1.8
135.04430	1.2
137.02359	0.7
142.06512	8.3
156.97357	0.6
157.07547	0.6
159.09175	7.6
173.04494	2.3
183.09219	0.7
186.05518	1.8
191.05574	1.4
201.10266	5.6
203.08192	85.8
204.08521	4.7
207.13902	0.7
225.14882	3.8
227.12796	5.3
245.09274	38.2
246.09573	2.4
264.16083	0.8
265.77682	0.5
266.14038	1.2
269.13901	0.7
276.01389	0.5
279.99295	0.5
322.91299	0.5
393.21912	0.7
395.19690	1.6
411.22772	1.5
412.70172	0.6
413.15530	1.0
413.20813	13.1
414.21216	1.5
415.19550	0.6
437.20862	1.4
447.14743	0.5
455.21902	10.8
456.21933	1.4
473.22891	100.0
474.23248	14.3
477.43103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56242	0.4
57.03325	2.4
59.01251	100.0
60.01592	1.3
63.74493	0.4
69.33838	4.2
71.01250	8.1
73.02820	5.2
75.00735	0.5
81.03319	0.5
83.01268	1.2
83.04908	1.4
85.02822	4.7
85.33572	0.5
87.00742	3.3
89.02325	1.7
93.03339	0.8
95.01247	0.7
95.04901	1.0
96.00790	0.6
96.95882	2.0
97.06478	1.7
98.19791	0.8
99.00788	1.1
101.02317	8.4
103.00272	0.6
107.04901	4.3
113.02326	3.7
118.97999	0.7
120.05695	1.4
125.02354	0.5
135.04416	2.0
135.08040	0.8
135.98233	0.7
141.05518	0.6
152.04697	0.9
157.06528	0.7
158.77303	0.4
159.02928	0.5
159.11711	0.5
161.04451	3.7
161.09630	7.2
161.13257	6.1
163.04005	0.4
163.11172	0.8
166.04999	2.0
169.10078	0.5
171.69490	0.5
173.04497	1.3
179.10710	1.2
187.11221	11.5
188.11559	0.7
189.09158	8.0
191.05522	2.1
199.19043	0.4
203.10625	0.6
205.12318	5.8
206.12656	0.6
207.10190	2.0
223.08176	7.1
223.13306	0.7
249.11330	2.9
267.12375	2.8
283.41516	0.5
329.12390	1.4
355.17953	0.6
396.25180	0.5
413.21765	0.7
455.18933	1.1
473.20236	31.7
473.25449	1.4
474.20581	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	473.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56242	0.4
57.03325	2.4
59.01251	100.0
60.01592	1.3
63.74493	0.4
69.33838	4.2
71.01250	8.1
73.02820	5.2
75.00735	0.5
81.03319	0.5
83.01268	1.2
83.04908	1.4
85.02822	4.7
85.33572	0.5
87.00742	3.3
89.02325	1.7
93.03339	0.8
95.01247	0.7
95.04901	1.0
96.00790	0.6
96.95882	2.0
97.06478	1.7
98.19791	0.8
99.00788	1.1
101.02317	8.4
103.00272	0.6
107.04901	4.3
113.02326	3.7
118.97999	0.7
120.05695	1.4
125.02354	0.5
135.04416	2.0
135.08040	0.8
135.98233	0.7
141.05518	0.6
152.04697	0.9
157.06528	0.7
158.77303	0.4
159.02928	0.5
159.11711	0.5
161.04451	3.7
161.09630	7.2
161.13257	6.1
163.04005	0.4
163.11172	0.8
166.04999	2.0
169.10078	0.5
171.69490	0.5
173.04497	1.3
179.10710	1.2
187.11221	11.5
188.11559	0.7
189.09158	8.0
191.05522	2.1
199.19043	0.4
203.10625	0.6
205.12318	5.8
206.12656	0.6
207.10190	2.0
223.08176	7.1
223.13306	0.7
249.11330	2.9
267.12375	2.8
283.41516	0.5
329.12390	1.4
355.17953	0.6
396.25180	0.5
413.21765	0.7
455.18933	1.1
473.20236	31.7
473.25449	1.4
474.20581	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	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03319	3.1
58.00474	0.7
59.01252	100.0
60.01595	1.1
60.76654	0.5
67.65048	0.4
69.03355	0.8
71.01254	18.4
71.34945	1.0
72.99191	1.3
73.02818	7.2
73.03744	0.4
73.50064	0.4
75.18842	0.5
76.90536	0.4
81.03334	0.5
83.01264	3.4
83.04906	2.1
85.02831	9.1
87.00758	5.3
89.02316	4.2
93.03361	1.4
95.01254	1.4
95.04904	0.5
96.95918	1.1
97.02822	0.6
97.06478	2.3
99.00778	2.0
99.04415	1.8
101.02328	17.9
107.04925	4.6
109.06476	0.7
111.00768	0.6
113.02332	6.6
119.03397	1.1
119.04941	1.0
119.32766	0.4
120.05696	1.9
120.99517	0.6
122.33792	0.5
125.02338	0.7
125.06032	0.5
125.23533	0.5
135.04416	2.4
135.11671	0.8
137.09630	0.6
141.05424	0.6
141.63013	0.4
143.03502	0.7
147.04395	0.5
152.04683	1.1
159.02940	1.3
159.11711	0.6
160.06923	0.5
161.04480	4.4
161.09642	7.9
161.13274	5.6
163.04008	0.4
163.11234	1.0
173.04506	1.3
179.10745	2.1
187.11214	12.9
189.09120	8.8
191.05597	2.1
203.10751	0.5
205.12259	7.7
206.12692	0.6
207.10219	2.6
211.13463	0.6
223.08209	11.0
223.13402	1.7
224.08499	1.0
247.77058	0.5
249.11273	3.2
265.09430	2.0
267.12537	2.9
269.17654	0.8
329.12509	1.2
373.18588	2.0
413.21991	1.3
429.25131	1.7
431.23163	1.0
437.86407	0.5
473.20178	21.1
473.24493	17.8
474.20596	3.2
474.24936	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	471.275
Annotation	Macrocarpal A
Peak:m/z	Relative Intensity
59.01244	1.9
64.95650	0.9
71.56915	1.2
71.57352	1.2
71.66431	0.9
95.04913	3.4
105.03339	7.8
109.02900	1.2
111.00783	1.1
119.04905	1.4
121.02818	4.0
123.04423	2.2
132.02055	1.6
133.02844	40.3
134.03668	5.9
135.04410	6.0
137.02341	7.9
139.03893	2.7
139.11214	1.2
147.04327	1.2
148.05186	4.0
157.49695	1.0
160.01572	4.5
161.02335	14.3
161.05959	6.0
175.03917	4.0
177.01843	3.5
178.02631	5.0
179.03381	4.0
194.02066	1.6
205.04944	1.3
215.86411	1.0
233.08191	1.9
247.09715	7.7
261.11057	1.8
275.12918	3.7
289.14502	3.4
311.16025	1.1
315.12653	1.6
329.17667	1.0
341.58224	1.0
343.15558	1.2
345.17142	3.8
356.16306	2.9
357.17062	6.6
358.17676	1.6
371.18686	10.5
372.19131	1.6
385.16397	4.9
408.98874	1.0
427.24741	1.5
453.26517	3.1
456.25137	5.9
471.27527	100.0
472.27875	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	471.3477
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01234	1.4
60.99160	0.9
71.57195	0.5
78.95779	0.6
81.45097	0.4
97.83971	0.5
108.09290	0.6
147.95566	0.6
150.66461	0.5
165.57111	0.5
375.30621	1.4
390.40167	0.5
409.34781	1.1
425.34406	1.3
453.33618	2.0
471.34760	100.0
472.35162	18.0
472.40805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2752
Annotation	Cochlioquinone B
Peak:m/z	Relative Intensity
59.01218	2.2
65.96001	0.8
69.46632	6.7
77.03825	1.6
95.04896	2.7
102.86425	0.7
105.03345	15.5
111.08024	9.0
117.03249	0.9
119.04885	1.0
123.04437	1.5
132.02039	2.6
133.02841	67.9
134.03729	6.2
135.04419	6.4
137.02330	6.4
139.03908	1.9
147.04434	1.4
148.05202	3.6
149.02388	1.1
150.03108	1.3
160.01524	4.8
161.02330	17.4
161.05962	2.8
162.03017	1.4
162.39044	0.8
173.15378	0.9
175.03935	3.7
177.01874	6.4
178.02679	4.7
179.03394	2.3
193.04964	1.2
194.02061	1.0
225.14894	2.7
233.08197	1.5
247.09776	2.3
261.11441	1.4
275.12772	2.7
301.14700	1.1
303.23285	1.3
315.16086	2.7
317.17554	3.0
329.17480	1.7
343.15509	9.8
344.16077	3.1
345.17041	9.2
346.17432	2.2
357.16861	2.2
359.18625	33.7
360.19055	5.3
361.20053	1.1
362.55026	1.0
373.20132	1.1
387.18268	3.8
388.18280	1.1
439.24734	1.6
453.26376	4.2
456.25162	6.0
471.27542	100.0
471.34412	8.8
472.27811	17.6
472.34503	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	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29386	0.2
53.96104	0.2
55.84475	0.2
58.18630	0.2
59.01249	100.0
59.87190	0.2
60.01598	1.1
70.43473	0.3
70.53527	0.9
71.01254	4.1
73.02812	5.3
83.01263	1.4
83.04877	0.3
85.02837	0.9
87.00768	0.3
89.02338	1.6
89.94256	0.2
95.01299	0.4
96.95885	0.4
99.04398	0.6
101.02327	5.1
102.02695	0.3
113.02347	2.5
119.03395	0.9
123.65362	0.2
131.03426	0.6
133.02893	0.5
134.56952	0.3
135.04465	0.3
137.09624	0.8
143.03384	0.6
149.04472	0.9
161.04427	1.5
173.04462	0.5
179.10667	0.2
187.00102	0.2
189.12727	0.3
191.05537	0.5
200.00885	0.5
312.96954	0.2
356.48105	0.3
374.06274	0.7
411.20419	0.3
429.21329	0.3
442.94766	0.3
471.22647	2.1
472.23209	0.4
472.29401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53880	1.8
51.34032	1.7
57.03309	1.9
59.00949	4.8
59.01250	100.0
61.98688	2.5
63.30665	1.5
69.36320	16.7
71.01257	16.4
73.02824	9.8
83.01247	4.3
85.02832	7.2
89.02319	5.1
93.03335	16.8
94.09438	2.0
96.95898	13.9
98.19786	3.5
101.02317	9.4
101.31233	1.9
103.94314	2.0
104.08083	1.9
108.02078	1.8
109.02832	3.3
113.02327	5.1
114.02651	1.8
134.03581	2.9
135.04395	2.4
136.99039	2.0
138.06786	2.7
138.98656	3.3
141.75970	1.8
143.03395	2.6
146.08098	3.0
152.08350	4.2
153.09103	14.6
159.04445	16.2
161.04359	4.0
173.04485	8.3
191.05548	11.7
205.12303	6.3
205.93217	1.7
218.64917	1.8
223.13339	2.4
277.12338	1.8
279.06558	2.0
297.07578	3.0
385.18619	1.9
496.73770	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	467.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95993	0.9
59.01237	4.4
62.77515	1.2
71.56776	1.2
71.57215	1.7
78.95776	30.6
96.96834	2.5
114.54559	1.2
115.08530	1.3
115.12742	1.3
121.02819	4.3
123.07233	1.3
152.99490	50.9
163.66969	1.2
171.00549	7.3
178.02617	1.6
227.03168	6.6
239.20117	100.0
240.20438	9.6
245.04295	34.7
289.29510	1.3
352.22672	1.2
422.18536	1.4
467.24118	62.1
468.24426	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	471.1544
Annotation	dexamethasone phosphate
Peak:m/z	Relative Intensity
53.46075	0.5
59.01250	3.3
61.98692	2.0
69.03334	1.0
70.10269	1.7
70.10678	1.1
71.01263	6.9
72.99178	0.5
73.02817	1.6
78.98464	3.9
79.95597	6.1
80.96391	44.9
81.03377	0.7
83.01258	0.9
85.02844	3.5
87.00745	3.2
87.62127	0.6
93.03343	1.3
94.97956	11.1
96.95885	2.5
97.02797	0.9
100.01528	0.5
101.02328	2.8
106.97946	2.5
113.02340	1.0
122.97455	3.0
125.02345	2.7
127.03882	1.1
134.97479	3.6
135.04388	0.6
136.99019	1.0
141.78290	0.6
148.99039	4.1
152.98537	5.3
159.04385	1.5
161.04459	0.6
164.98538	8.6
171.10191	3.4
173.04437	2.0
182.99666	1.3
185.88429	0.5
191.05492	6.3
193.06490	0.6
206.97897	0.5
206.99599	2.3
209.44345	0.5
225.00700	11.3
243.01788	2.0
299.04443	2.5
308.97992	0.5
471.15393	100.0
472.15729	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	467.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92245	3.7
57.03315	4.4
59.01243	14.0
65.09335	3.6
71.01232	6.7
72.99181	24.2
75.00739	15.2
79.57475	4.2
85.02825	7.7
87.00730	4.6
93.03349	6.5
96.95868	5.0
98.19786	6.6
99.00761	5.9
111.00730	4.3
112.98674	6.8
115.00226	7.9
119.29317	3.9
135.02884	17.2
135.04369	4.7
142.99760	16.7
147.08162	3.5
156.00566	3.7
173.00798	7.9
173.04472	5.0
174.01624	100.0
175.02374	7.6
185.11633	4.4
191.05441	6.1
199.13446	6.4
201.11182	4.3
229.27933	4.4
293.21356	19.7
305.21194	17.4
331.19424	5.0
345.20932	11.9
349.20221	15.4
371.18619	24.2
396.37521	4.3
401.19547	5.5
407.20944	5.3
431.20737	7.6
438.86978	3.8
449.21539	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	467.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.3
63.11180	0.1
69.67616	1.1
71.01218	0.2
79.95609	2.3
85.02819	0.4
93.03346	0.4
96.95890	100.0
97.95817	0.2
98.20537	0.2
107.60667	0.2
125.28657	0.2
146.19064	0.2
159.04402	0.2
173.04477	0.6
183.04613	0.1
187.07603	0.9
191.05525	1.5
203.10843	0.2
205.08575	0.2
231.10210	0.8
249.11188	0.2
264.89148	0.2
275.09280	1.9
289.11182	0.5
429.89227	0.2
449.14163	0.2
467.15891	44.1
468.16223	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	467.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	43.8
58.00453	1.4
59.01247	26.4
69.23923	1.1
71.01259	12.0
73.02814	2.6
74.26561	1.2
85.02828	3.1
87.00752	2.9
89.02329	5.0
93.03331	9.8
95.83702	1.2
96.95878	1.4
97.02838	1.8
97.06451	2.4
99.04397	24.9
101.02317	13.8
109.02824	1.5
111.04398	4.4
122.73413	1.2
125.02333	8.5
133.02789	2.3
134.03627	36.0
135.04425	8.3
136.01564	1.7
137.02333	2.2
143.03423	1.3
145.07570	2.7
155.03439	3.3
160.06293	10.2
161.04468	15.0
161.07100	37.0
162.07410	2.3
171.10194	2.0
173.04463	23.2
173.10724	1.5
175.08688	29.7
176.09042	1.5
177.01865	2.1
178.02609	8.0
179.03255	1.7
185.10789	1.3
187.08820	6.3
187.17039	1.2
189.06615	97.6
190.06943	5.6
191.03954	2.4
191.05537	28.5
201.10217	7.2
202.06277	1.8
203.08191	45.1
203.11844	13.1
204.08540	4.4
213.09114	2.1
217.09824	1.7
229.09779	25.8
229.84880	2.2
230.10155	1.9
231.10188	3.7
257.08167	2.1
275.09195	9.1
276.09625	1.7
277.11942	3.9
293.10327	38.4
294.10648	4.2
305.11429	65.5
306.11807	5.8
323.12457	100.0
324.12796	7.6
365.13486	12.4
405.16669	1.7
449.14441	3.8
467.15704	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	466.2935
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
59.01234	0.6
61.19066	0.4
64.63861	0.4
78.95773	26.3
88.84710	0.4
96.96817	1.1
97.80795	0.4
116.11195	0.4
122.00018	0.5
140.01064	5.5
152.99472	3.3
171.00580	2.4
196.03731	9.7
214.04774	2.2
218.34245	0.4
244.56219	0.4
269.24838	100.0
270.25189	9.1
461.45483	0.5
466.29373	34.6
467.29620	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	467.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43112	0.4
59.01251	1.8
69.83764	1.6
71.01263	0.4
74.46182	0.4
79.95605	1.6
85.02837	0.5
96.95886	100.0
97.95851	0.5
101.02328	0.4
106.31669	0.4
119.04773	0.3
129.81960	0.3
170.23567	0.4
173.04507	0.7
176.04700	0.5
177.09181	0.3
187.07570	1.3
191.05569	2.3
205.08589	0.4
231.10289	0.6
248.55649	0.4
249.11278	0.8
268.38403	0.3
275.09332	0.7
287.09598	0.8
306.42056	0.4
341.79514	0.4
377.25107	0.4
377.87140	0.3
395.44687	0.4
467.15878	53.4
468.16342	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32561	0.4
57.03309	0.8
59.01249	2.4
78.90107	0.4
78.95784	5.9
97.06463	0.5
100.59801	0.4
105.17212	0.4
110.98414	5.3
113.09580	2.5
131.14095	0.5
158.84596	0.6
167.01016	2.4
168.85605	0.4
171.10126	0.8
177.12843	0.5
179.14305	1.2
185.02118	4.7
195.13844	16.4
196.14148	0.6
209.11763	1.6
217.00192	1.6
277.21732	15.2
277.24808	0.8
278.21991	1.3
295.22766	100.0
296.23099	7.5
300.02661	0.5
463.09091	0.5
463.24655	18.8
464.25027	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45507	0.3
57.03294	0.6
57.96183	0.3
59.01252	3.6
61.14349	0.4
65.48898	0.3
71.01257	0.5
78.95770	7.3
83.04914	0.4
96.95860	0.4
97.06368	0.3
110.98408	6.0
113.09615	2.4
125.09618	0.7
152.99492	0.6
156.54442	0.3
157.21523	0.4
167.01082	2.6
169.12222	0.4
171.10153	1.1
174.99161	0.4
177.12752	0.6
179.14301	1.0
185.02126	5.9
195.12015	0.8
195.13834	15.9
196.14171	1.0
197.11766	1.1
209.11726	4.2
217.00290	3.3
229.57820	0.5
235.13336	0.5
271.02521	1.1
277.21707	14.2
278.22189	1.6
295.22757	100.0
296.23123	9.1
296.26324	0.8
300.02692	1.4
301.03384	0.9
463.08954	1.3
463.24631	19.3
464.24802	2.6
464.30276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
57.03324	2.8
57.68583	0.6
59.01249	84.5
68.72250	0.6
69.48403	4.7
71.01247	8.7
72.99209	0.7
73.02810	5.1
73.09896	0.5
83.01242	1.8
83.04870	0.7
85.02823	5.7
85.08444	0.6
87.00753	0.9
89.02303	1.8
90.98463	0.7
93.03321	1.2
95.01231	1.0
95.04918	1.1
96.95889	2.5
98.20578	0.7
99.00750	1.0
101.02322	9.7
109.02795	0.6
111.04420	0.8
113.02316	4.5
134.03561	0.7
135.04405	4.3
137.09581	1.4
139.11185	25.3
140.11484	1.5
145.66403	0.5
151.00203	0.8
155.10680	6.0
161.04407	2.4
163.03981	0.7
163.11163	1.4
165.09084	1.4
173.04465	0.9
178.02541	0.9
179.03415	1.4
181.12257	10.9
183.10182	34.4
184.10510	2.0
191.05568	4.3
199.09636	0.9
209.11745	3.6
225.11226	3.9
227.12842	1.2
237.09831	2.9
243.02785	0.7
243.12221	2.8
253.09097	1.0
255.02914	1.1
257.12933	0.7
271.02426	1.7
290.10220	2.3
300.02762	3.6
301.03329	2.2
301.20172	1.0
337.55289	0.6
350.29367	0.7
420.94223	0.7
445.20596	8.4
463.21484	100.0
464.21979	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
57.03330	0.4
58.00454	0.3
58.48927	0.2
59.01250	8.3
69.03328	0.3
70.92017	0.5
70.92353	0.3
71.01252	3.8
72.18251	0.2
72.97395	0.3
72.99166	0.5
73.02828	1.1
79.84335	0.2
80.02537	1.0
81.03333	1.1
83.01266	0.7
83.04898	5.0
84.02022	1.6
85.02832	1.3
87.00764	0.8
89.02329	3.1
91.03893	0.2
92.64316	0.2
93.03317	0.3
95.01220	0.2
95.04903	0.6
96.95880	0.7
101.02330	4.1
109.06467	0.4
113.02357	1.6
119.03393	1.1
119.04825	0.3
120.99521	0.2
125.02305	0.3
125.05973	0.5
135.04411	1.1
135.07112	0.2
135.08038	0.7
136.04738	0.4
143.03505	0.2
150.39690	0.2
151.00273	0.3
155.10619	0.2
159.69894	0.2
161.04504	1.2
163.03897	0.4
163.11192	4.3
164.52896	0.2
165.12770	2.3
171.10141	0.3
173.04439	0.5
179.03404	0.9
179.05528	0.4
180.03680	0.3
181.03905	0.5
181.12230	0.6
183.13863	0.4
191.05600	0.7
191.10716	1.2
209.11766	100.0
210.12088	6.7
210.13957	0.5
213.12697	0.3
227.12831	15.4
228.13211	1.3
229.14474	0.3
235.08029	0.3
243.02988	0.4
253.09259	13.1
254.09654	0.8
255.02940	0.6
257.13037	0.3
271.02463	1.5
289.11026	0.3
300.02786	1.7
301.03470	1.3
301.12695	0.3
326.72284	0.2
360.80133	0.2
416.27991	0.3
433.60941	0.3
463.08551	1.2
463.26114	1.6
464.09030	0.3
464.28558	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	0.3
59.01254	4.8
65.09173	0.3
66.35971	0.3
69.79408	1.2
71.01258	3.4
73.02811	1.1
80.02532	1.4
81.03326	1.5
81.38615	0.2
83.01257	0.5
83.04899	4.6
84.02045	1.0
85.02816	0.7
87.00729	0.5
89.02317	3.2
93.03341	0.4
95.01260	0.4
95.04891	0.7
96.95862	0.4
99.04411	0.3
101.02318	3.2
113.02341	1.3
119.03401	0.6
125.05975	0.5
135.08061	0.6
161.04446	1.3
163.11214	3.5
165.12772	2.4
179.05525	0.6
181.12250	0.7
191.10698	0.9
209.11769	100.0
210.12111	6.9
227.12837	14.0
228.13170	1.0
233.07112	0.3
235.08170	0.4
253.09267	11.3
254.09677	0.4
255.02873	0.3
271.02362	0.5
300.02762	1.2
301.03375	0.7
463.08829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.2
57.03328	0.5
58.00479	0.5
59.01249	9.6
60.69272	0.2
69.03342	0.5
71.01249	4.9
71.04899	0.2
71.57451	0.1
71.57922	0.2
72.99182	0.4
73.02813	1.7
74.98977	0.2
75.00734	1.1
75.74806	0.1
80.02533	1.1
81.03316	1.1
83.01248	1.1
83.04896	4.9
84.02034	1.1
85.02818	1.4
87.00751	0.6
89.02312	3.9
89.02823	0.3
89.48435	0.2
93.03318	0.8
95.01293	0.3
95.04921	0.7
96.95892	0.6
97.02847	0.2
97.06496	0.4
99.00759	0.5
101.02316	4.6
107.01260	0.3
108.02075	0.5
109.02835	0.4
109.06502	0.3
110.74354	0.1
111.08043	0.2
113.02335	2.1
117.03338	0.2
119.03410	1.2
120.99524	0.4
121.02840	0.3
122.06033	0.4
123.04401	0.3
123.08052	0.2
125.02296	0.3
125.05981	0.5
125.09669	0.2
127.03879	0.2
129.01874	0.2
131.03442	0.2
134.03662	0.3
134.05963	0.2
135.04446	0.4
135.08098	0.8
136.99042	0.3
137.02344	0.3
137.09608	0.2
139.11206	0.9
143.03421	0.3
147.11742	0.2
149.04474	0.2
151.00276	1.2
152.01018	0.2
152.07091	0.5
153.01712	0.2
155.10652	0.4
161.04456	1.6
163.00342	0.3
163.11211	3.5
165.12782	2.0
173.04486	0.7
178.99808	0.6
179.03384	0.3
179.05437	0.4
181.12228	0.6
183.10191	3.4
183.13797	0.2
187.04039	0.2
187.06229	0.2
191.05540	1.6
191.10754	1.1
198.25362	0.1
199.09688	0.3
199.13309	1.8
203.03569	0.2
207.04987	0.6
209.11766	100.0
210.12108	7.0
217.08635	0.2
226.02747	0.2
227.03334	0.4
227.12834	20.7
228.13129	1.4
229.01208	0.2
235.08212	0.3
241.14384	0.3
243.02975	1.1
253.09253	14.3
254.02267	0.3
254.09558	0.7
255.02960	2.4
255.11302	0.5
256.03513	0.3
271.02466	5.8
271.05518	0.3
272.02814	0.7
289.07193	0.4
289.16541	0.2
299.01871	0.3
300.02707	8.7
301.03464	4.8
301.06946	0.4
302.03812	0.4
388.49667	0.1
403.19666	0.5
404.22766	0.1
420.19446	0.2
445.20557	0.3
459.09381	0.2
463.08661	5.8
463.21225	1.9
464.08862	0.9
464.17981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.1
58.00468	12.4
59.01250	39.9
61.98718	1.1
66.16821	0.9
67.73592	1.0
68.59971	1.0
70.91225	1.9
71.01249	10.1
73.02809	3.9
75.00720	1.7
75.65239	0.9
75.90915	1.0
83.04893	3.0
85.02803	3.6
86.42081	0.9
87.00749	1.4
89.02301	4.4
91.02659	1.0
93.03305	1.1
95.01266	1.1
96.95875	1.8
101.02293	4.3
109.02853	1.0
113.02316	2.7
115.86649	1.0
118.39577	1.0
119.03381	2.0
122.05971	3.0
124.07589	2.3
124.92025	0.9
128.03407	1.0
132.04414	3.2
143.03331	1.2
146.06013	13.3
148.07584	7.2
150.05470	1.4
160.07498	1.2
161.04532	3.6
162.05481	1.4
163.11122	1.5
165.04198	1.2
167.05756	4.1
168.06569	1.6
173.04495	1.7
174.05490	3.8
175.06259	1.2
176.07060	1.7
179.05620	3.0
188.07045	1.1
191.05574	5.7
193.03699	1.3
195.05174	1.2
204.06606	11.2
205.07312	2.8
207.05194	3.6
209.11751	24.8
210.11969	1.2
216.06630	2.1
227.08267	2.3
227.12854	4.9
228.13719	1.8
237.06367	5.5
241.09729	1.4
243.11295	2.1
249.06259	1.7
253.09245	3.9
255.11443	2.7
269.12814	2.2
271.14462	10.2
283.10910	5.3
289.10849	1.3
297.12466	1.8
299.14075	3.4
313.15964	1.0
329.15060	19.1
330.15405	2.0
341.14948	1.0
343.13062	8.3
355.12997	2.7
373.14029	100.0
374.14392	10.1
385.14020	9.4
403.15005	11.3
403.19806	4.0
409.13928	3.1
410.56339	1.1
427.15091	4.7
445.16153	3.3
463.10138	1.4
463.17123	39.5
464.17471	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34606	0.5
51.47282	0.4
52.47227	0.5
55.01664	0.9
55.01894	0.6
57.03211	1.2
57.03491	1.0
58.00374	0.7
59.01115	21.2
60.01493	0.4
67.01653	0.7
69.03227	0.7
71.01112	11.4
71.01558	2.9
71.04766	0.6
71.06970	1.0
72.79064	0.5
72.97275	0.5
72.99068	1.1
72.99419	0.5
73.02671	3.6
73.03127	1.0
74.02250	0.5
74.60458	0.5
74.98858	0.8
80.02446	0.8
81.03179	1.7
83.01118	2.6
83.01650	0.9
83.04751	4.8
83.05293	0.8
84.01948	0.9
85.02679	5.8
85.03242	0.8
87.00608	2.7
87.04272	0.9
89.02175	7.7
89.02769	1.1
93.03190	11.8
93.03831	1.4
95.01184	1.1
95.04794	0.9
96.95746	5.8
96.96423	0.7
96.99087	0.6
97.02740	0.9
97.06374	0.6
99.00601	1.6
99.04320	0.9
101.02172	12.7
101.02901	1.5
107.01105	0.6
108.01945	1.2
109.02696	5.2
109.06327	2.5
110.55183	0.5
111.00633	0.6
111.04308	0.7
113.02323	5.5
115.03863	0.5
119.03249	1.8
119.04767	3.7
120.99435	1.3
121.02851	5.0
122.03573	0.6
125.02206	1.3
125.05842	0.8
127.03761	1.4
129.01724	0.8
131.03310	1.4
134.03506	0.6
134.05959	0.6
135.02760	0.5
135.04414	7.0
135.07970	1.0
136.01494	1.0
136.98961	1.1
137.02345	24.3
137.03305	0.8
137.05980	18.4
137.06953	0.8
137.09506	0.9
138.02614	0.5
138.06300	0.8
143.03270	1.4
147.04263	0.5
149.04373	1.4
151.00157	1.8
153.01723	0.6
155.10680	3.7
160.01439	0.7
160.05170	0.8
161.04501	2.8
161.05750	0.7
163.03917	1.1
163.11203	2.9
165.12686	2.1
171.10164	1.0
173.04533	3.5
174.03064	0.9
175.02322	0.6
178.99721	1.8
179.03419	1.1
179.05486	0.9
180.06531	0.6
181.04994	39.0
181.12201	0.7
182.05290	1.0
183.08047	0.8
183.10139	0.6
187.03876	0.6
191.05544	21.3
191.10640	1.0
192.05840	0.7
197.11624	0.6
199.07829	0.6
199.09669	2.6
199.13336	1.6
201.09116	4.7
207.05009	1.9
208.10461	0.6
209.11774	100.0
210.12088	4.6
217.08595	0.8
221.04535	0.5
226.11435	0.5
227.07083	0.9
227.12843	18.9
229.08661	0.9
241.06058	0.8
241.10739	0.8
243.03038	2.2
243.06648	0.6
245.08237	1.6
253.09265	21.8
254.02336	0.7
255.02950	3.8
256.08664	0.8
257.09341	2.4
271.02631	10.2
271.06213	4.1
272.03006	1.2
272.06424	0.6
281.06662	49.1
282.06982	3.4
283.02563	0.6
289.07162	7.7
290.07584	0.7
299.01886	0.7
300.02704	16.8
301.03751	11.7
301.08447	1.7
301.11646	0.5
301.20761	0.7
302.04120	0.6
308.95413	0.5
331.17834	0.6
333.19803	0.8
343.10333	5.9
395.88406	0.5
403.23862	0.9
421.24890	1.0
425.96915	0.5
431.59631	0.5
445.08643	2.7
463.13519	18.2
463.21484	2.3
463.27145	2.7
464.13644	1.7
464.57953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0883
Annotation	8-Hydroxyluteolin 8-glucoside
Peak:m/z	Relative Intensity
58.50977	0.5
59.01251	12.5
61.69999	0.4
63.02279	0.9
65.00181	1.2
69.03311	0.4
70.72417	0.9
70.72758	0.5
71.01245	2.3
73.02807	1.2
83.01260	1.0
83.04934	0.4
85.02822	1.1
85.79137	0.4
87.00760	0.9
89.02305	0.5
93.03358	2.2
94.73681	0.4
96.95908	1.0
97.06474	0.5
99.00758	0.6
101.02309	1.2
107.01267	3.2
108.02081	1.1
109.02834	2.0
113.02327	0.8
119.01244	0.5
121.02854	2.2
133.02890	0.6
135.00766	0.6
135.04393	1.5
147.04408	0.5
148.01572	1.7
151.00287	10.4
151.01482	0.5
161.04485	0.5
163.00287	2.0
169.01387	1.3
173.04517	2.3
175.03931	0.5
178.99776	6.4
179.03395	0.8
180.00240	0.5
187.03918	1.2
191.05534	2.4
199.03897	0.6
207.05028	0.7
209.11804	3.0
213.05397	0.6
215.03392	1.1
216.04248	0.6
226.02721	2.2
227.03415	3.2
227.12813	0.9
229.01459	0.5
229.04927	1.0
243.02972	13.7
244.03386	1.3
245.04436	1.3
253.09273	0.5
254.02243	2.3
255.02974	25.5
256.03372	1.9
258.67395	0.6
271.02472	58.9
272.02930	6.0
273.03925	0.8
283.02466	0.9
290.10501	0.5
299.02060	1.5
300.02740	100.0
301.03461	44.6
302.03867	2.5
322.39822	0.5
343.04547	0.8
403.27039	0.6
408.07492	0.5
463.08810	64.8
463.25424	1.6
464.09229	9.0
464.15286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00412	0.3
51.32504	0.3
54.34943	0.3
59.01251	6.1
65.00186	2.1
71.01250	2.0
73.02814	0.9
73.43903	0.3
83.01264	0.9
84.36829	0.3
85.02788	0.6
87.00736	0.5
89.02319	1.1
91.01737	0.4
93.03331	3.3
95.01239	1.7
96.95886	0.6
99.00751	0.8
101.02320	1.1
107.01260	1.8
108.02046	1.2
109.02821	1.0
109.99982	2.0
111.00768	1.6
112.21440	0.3
113.02303	0.6
117.03349	0.7
118.52689	0.3
119.01263	0.4
120.99496	0.4
121.02835	0.7
123.00773	1.9
123.04428	0.4
123.82840	0.3
124.01552	0.7
124.03875	0.4
125.02342	1.2
132.02049	0.8
132.29060	0.3
133.02856	0.5
134.06032	1.0
135.00734	0.8
135.04367	0.5
136.98686	1.9
137.02370	0.9
137.99457	0.9
139.00279	2.9
139.11111	0.4
143.04913	0.9
145.02809	0.4
148.01616	0.9
148.98627	0.4
149.02370	0.5
151.00266	5.8
152.01091	2.3
153.01863	0.7
155.04842	0.5
155.10643	0.6
156.05681	0.5
159.04388	0.8
161.02316	0.4
161.04434	0.5
163.00284	2.5
165.98956	2.0
166.99814	2.2
167.04875	0.4
169.01353	0.3
171.04445	1.3
172.04890	0.4
173.02286	0.6
173.04475	1.0
173.05911	0.8
174.03111	0.6
175.03870	0.4
178.99748	3.2
180.00351	0.6
181.01303	0.5
182.03633	0.5
183.04463	1.7
185.05978	1.0
186.03264	0.4
187.03909	2.7
191.05515	2.6
193.98546	0.7
198.03195	0.9
199.03920	3.2
200.04706	1.1
201.05487	1.1
203.03473	0.6
209.11766	7.9
210.03041	0.4
210.11984	0.4
211.03943	2.4
212.04318	0.4
213.01799	0.5
213.05435	0.5
215.03481	2.7
216.04166	1.2
217.05084	0.5
226.02650	1.8
227.03415	9.9
227.12894	1.8
228.04010	1.8
229.01389	0.4
229.04991	1.5
239.03462	1.4
243.02945	14.5
244.03688	2.4
245.04491	0.8
253.09244	1.3
254.02148	2.0
255.02956	38.2
256.03442	5.5
257.04535	5.6
258.04736	0.5
259.02487	0.6
271.02463	43.5
272.03107	12.6
273.03879	1.9
282.01736	1.0
283.02457	10.2
284.02960	1.3
285.03931	0.9
289.16986	0.4
299.01956	1.1
300.02725	56.5
301.03448	25.6
302.03897	2.4
343.06622	1.3
403.23718	0.4
435.09149	0.7
445.07800	1.2
463.08792	100.0
464.09106	12.1
464.16324	0.4
464.18793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73579	0.3
59.01237	0.7
63.02256	0.8
64.26228	0.2
65.00189	1.3
66.02052	0.2
67.27795	0.2
69.49097	1.9
83.01231	1.3
91.01717	0.3
107.01267	3.6
107.85703	0.2
108.02050	2.0
109.02858	1.4
115.28628	0.2
119.01244	0.4
120.01997	0.3
121.02832	2.1
124.01585	0.5
125.02301	0.4
135.00777	1.3
143.62016	0.2
147.00693	0.3
148.01559	2.0
149.02252	0.5
151.00267	11.2
152.00900	0.2
163.00290	3.4
164.01007	0.8
169.01326	0.5
174.03159	0.3
178.99776	5.2
183.04405	0.5
187.03905	0.6
188.04715	0.4
190.99811	0.3
192.00575	0.5
198.03154	0.3
199.03905	1.3
200.04681	0.3
201.01860	0.4
201.05478	0.4
203.03427	0.3
209.11905	0.4
211.03941	1.6
215.03436	0.4
216.04239	1.1
226.02695	2.9
227.03444	3.6
228.03979	0.4
229.01321	0.3
229.04921	0.5
239.03462	0.4
243.02948	14.4
244.03485	1.3
245.04510	1.3
248.27579	0.3
254.02171	3.1
255.02953	29.9
256.03351	2.0
271.02460	70.9
272.02869	6.9
273.03864	0.9
283.02341	1.4
292.03329	0.3
299.01944	2.3
300.02722	100.0
301.03436	46.8
302.03812	2.8
343.04349	0.5
463.08795	68.6
464.09052	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	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.7
59.01249	3.0
62.67939	0.2
63.05898	0.3
70.51116	0.3
70.59828	0.8
77.08421	0.3
78.95773	6.4
85.06425	0.3
96.95843	1.0
97.06422	0.8
109.06432	1.0
110.98413	6.0
111.57319	0.3
113.09605	16.9
114.09863	0.6
133.04892	0.6
133.51643	0.3
135.11583	0.7
139.11171	1.4
145.51575	0.3
147.04411	0.3
149.09521	0.4
153.35103	0.2
158.90242	0.3
163.11214	0.3
167.01024	1.8
167.10715	2.8
171.10034	0.3
174.84285	0.3
177.12703	1.0
179.10677	2.1
185.00638	0.4
185.02139	5.8
193.12106	0.3
195.13826	2.5
207.10178	1.7
225.11263	0.8
249.22183	2.4
275.20117	0.8
293.21210	100.0
294.21542	10.5
393.21832	0.4
428.81104	0.3
452.09641	0.4
461.07175	0.3
461.23196	9.8
462.23505	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	462.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.6
57.03331	1.4
58.00445	0.4
59.01251	13.6
69.03329	0.5
71.01250	15.1
71.56660	0.3
72.11561	0.3
72.99185	1.0
73.02818	4.8
74.98994	0.4
75.00719	0.3
83.01260	3.6
85.02825	7.8
87.00749	1.8
89.02309	6.2
93.03306	0.4
95.01240	1.5
96.95896	1.0
97.02837	1.0
99.00751	3.5
101.02322	18.0
102.02672	0.6
111.00750	0.4
112.96472	0.3
113.02330	7.4
119.03396	2.4
123.03154	7.3
125.02371	1.7
128.03426	0.6
129.01855	0.4
131.03406	0.7
132.65227	0.3
138.05510	100.0
139.05875	3.9
140.07082	0.9
140.41075	0.3
141.01840	0.7
143.03413	1.9
159.02917	0.5
161.04460	4.7
161.43111	0.3
167.03458	0.3
167.05795	0.4
179.05540	1.1
180.06532	0.9
182.08131	0.3
191.05536	0.9
201.09322	0.3
209.11700	0.4
221.06619	1.6
222.07263	0.3
245.06555	1.5
263.07721	2.1
300.10880	13.8
301.11270	0.8
323.09894	1.1
416.16428	0.3
462.16055	8.9
462.22021	0.5
463.16858	0.8
473.40814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15042	0.4
55.04595	0.4
56.54739	0.4
57.03296	0.5
59.01192	3.9
69.03275	0.7
71.01192	0.8
71.06047	1.0
78.95774	7.8
96.95847	0.6
97.02779	0.6
97.06414	0.4
99.00690	0.4
109.06407	1.8
110.98402	7.6
113.02254	0.5
121.10043	0.8
133.02840	0.5
133.04897	0.7
152.99446	0.7
158.96866	0.4
163.11183	1.1
167.01080	2.8
171.10201	1.9
179.14311	0.8
181.12245	1.2
183.13805	3.7
185.02116	6.5
195.13834	7.7
205.12328	0.9
205.15941	0.6
207.10226	5.8
211.13264	1.1
223.13341	6.4
224.13788	0.5
225.11282	3.6
228.13538	0.7
231.21147	0.6
253.09196	1.1
256.13132	1.6
265.21707	0.5
275.20120	7.3
276.20547	0.5
293.21210	100.0
294.21555	8.5
355.78186	0.5
396.17578	0.4
461.23224	20.0
462.23517	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	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01140	1.9
71.01164	0.3
71.44580	0.6
78.95652	6.6
78.96152	0.9
83.04778	0.4
86.31634	0.4
92.59215	0.3
97.02740	0.4
101.02200	0.4
104.97295	0.3
109.06320	2.0
110.98272	5.5
111.07877	0.4
121.06288	0.3
121.10028	0.4
134.72034	0.3
152.99423	0.4
163.11044	1.3
167.01045	3.1
167.10657	0.5
171.10063	0.8
179.14197	1.1
181.12138	0.5
185.02145	6.9
185.03658	0.4
195.12064	0.4
195.13811	8.5
196.14290	1.0
205.12161	1.1
205.15816	0.3
207.10190	5.8
208.10437	0.3
211.13307	0.6
223.13336	7.6
224.13678	0.7
225.11281	3.7
228.13533	1.1
231.21146	0.4
235.16791	0.4
253.09154	1.1
256.13208	1.8
265.21603	0.5
275.20142	5.2
276.20541	0.5
293.21216	100.0
294.21542	10.4
391.58676	0.3
392.16159	0.3
434.38165	0.4
461.23352	19.5
462.23697	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	461.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20420	0.5
52.44713	0.7
59.01001	2.7
59.01334	15.6
69.52809	0.6
70.34467	1.4
71.00942	1.5
71.01350	6.0
71.04981	1.0
73.02898	1.0
78.95882	7.9
80.02635	1.1
81.02988	0.8
81.03413	2.0
83.01334	0.9
83.05006	2.5
85.02910	1.2
87.00843	1.0
89.02426	5.2
97.02938	7.3
99.00866	1.8
101.02325	4.7
107.04980	0.8
109.05797	1.8
109.06467	29.9
110.03711	1.8
110.06882	1.6
110.85762	0.7
110.98415	7.4
113.02448	2.3
119.03474	1.9
121.06582	2.7
133.05092	1.1
135.08173	2.9
136.05243	1.3
142.02715	1.8
152.99580	1.7
161.04523	2.4
163.11188	16.5
164.11623	1.2
167.01108	3.1
179.10742	1.0
181.12268	5.9
183.13780	1.6
185.02126	7.0
189.09196	1.5
195.13853	6.8
207.10202	100.0
208.10561	6.2
211.13347	1.1
223.13333	5.1
225.11273	59.2
226.11652	3.6
231.21118	1.7
235.17001	15.4
236.17319	1.1
237.87375	0.6
243.12289	0.8
253.09236	18.8
254.09628	1.1
256.13098	2.0
275.20132	25.3
275.24725	0.9
276.20471	2.6
293.21210	95.8
294.18619	0.9
294.21579	9.9
299.14859	1.9
414.23218	0.7
461.19794	47.2
462.20193	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76628	0.3
59.01250	100.0
60.01585	1.2
61.61810	0.4
71.01251	7.2
71.58037	0.6
72.97409	2.8
72.99174	0.7
73.02824	6.3
75.00744	0.8
83.01237	0.9
83.04902	0.6
85.02835	2.7
87.00745	1.1
89.02316	3.7
95.01255	0.5
95.04891	0.4
96.95895	2.6
99.00750	0.7
99.04417	0.8
101.02320	5.0
103.93224	0.4
109.06499	0.5
111.00743	0.6
113.02325	2.8
118.97977	0.7
119.03384	1.3
119.04890	0.4
123.04445	0.5
134.97488	0.8
135.04427	0.4
136.99086	0.6
139.07535	0.7
143.03510	0.6
151.03978	0.4
153.09160	0.4
161.04460	3.5
173.04381	0.6
179.05560	0.7
191.05547	0.6
203.10803	0.7
207.10165	2.4
221.11861	1.7
225.11285	7.0
226.11539	0.6
235.08139	0.5
250.28645	0.4
253.09256	0.8
299.02109	0.6
359.17242	1.4
381.17560	0.5
401.17676	0.9
401.22073	1.6
443.19318	1.5
461.07327	0.7
461.20209	12.7
462.20456	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83998	0.6
59.01006	2.5
59.01337	14.1
61.87146	0.6
71.01353	4.9
71.04958	0.7
71.28881	0.9
73.02892	0.8
76.55946	0.7
78.95882	6.5
80.02628	1.2
81.03433	2.5
83.01352	1.0
83.05008	2.8
85.02948	2.0
87.00828	0.8
89.01831	1.1
89.02417	4.9
90.63026	0.5
95.04995	0.6
96.95984	0.8
97.02940	5.6
97.06545	0.6
99.00825	1.2
101.02314	4.0
103.37048	0.6
106.04208	0.7
107.05025	0.7
109.05795	1.4
109.06469	28.2
110.03655	1.3
110.06844	1.2
110.98404	7.3
113.02437	2.6
117.28735	0.7
119.03491	1.7
121.06625	2.3
121.58723	0.6
133.18129	0.6
135.08035	3.6
136.05296	1.7
142.02647	3.0
142.09956	0.6
152.99469	1.0
161.04541	2.2
161.09657	1.4
163.11192	17.4
164.11580	1.0
167.01099	1.2
179.14342	0.9
181.12244	6.2
183.13876	1.5
185.02145	7.9
189.09242	1.1
190.61942	0.6
195.13815	4.9
205.12343	0.8
207.10194	100.0
208.10553	5.7
209.11966	0.8
211.13362	0.7
223.13344	4.0
225.11261	59.5
226.11665	3.8
231.21175	1.1
235.16974	11.9
243.12398	0.8
253.09259	18.1
254.09492	1.0
256.13220	1.5
275.20139	20.7
276.20520	1.2
293.21210	82.6
294.21515	6.6
299.14905	1.3
443.18860	0.8
461.19760	44.1
462.15274	0.6
462.20404	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.0
59.01250	100.0
71.00883	3.6
71.01254	40.6
71.56881	1.9
73.02820	3.8
84.86812	1.7
85.02846	4.9
87.05513	2.3
89.02317	54.7
93.03332	3.1
95.01291	2.4
96.95901	2.7
99.00778	2.4
101.02320	23.7
107.70227	1.7
113.02323	16.6
119.03387	26.3
122.03608	2.7
128.03410	6.9
131.03436	3.4
139.07567	6.7
143.03384	6.4
143.04469	2.4
161.04460	10.9
168.07816	4.6
179.05579	24.3
179.07068	2.3
191.05482	3.8
191.10721	5.9
191.82245	1.8
209.11874	2.0
225.11336	2.0
240.66074	1.8
267.00616	2.0
281.06616	2.2
302.77585	1.7
371.17154	6.3
401.18158	23.2
459.12866	1.8
461.10928	2.8
461.20526	2.8
462.13916	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	459.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	6.5
59.01253	98.3
61.98706	10.8
69.03317	13.4
71.01271	5.5
78.94832	4.7
96.60363	5.6
107.04913	43.2
109.06477	12.8
121.02839	6.9
121.06483	12.6
152.99449	10.3
162.33372	5.1
235.17050	7.0
295.59827	5.3
311.23877	10.7
311.27356	10.9
313.25522	7.6
341.28397	57.4
342.28650	12.4
343.26553	18.0
345.49179	5.9
367.29822	11.1
379.30191	7.9
385.31088	75.3
386.31683	7.1
397.30981	41.4
398.31104	9.8
415.32217	75.0
416.32486	9.6
459.31531	100.0
460.31378	18.6
477.84952	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
57.10841	0.2
59.01250	100.0
60.01584	1.0
69.03336	0.3
69.24339	2.4
71.01248	8.1
72.00772	0.2
72.99181	0.6
73.02818	2.4
74.02348	0.2
74.98991	0.3
79.95595	0.2
83.01267	1.1
85.01058	0.2
85.02821	4.5
85.06479	0.2
87.00741	0.5
87.04417	0.8
89.02316	2.9
93.03356	0.6
95.01263	0.9
96.95879	2.2
97.02861	0.3
98.19762	0.4
98.95472	0.2
99.00765	1.3
101.02323	4.2
113.02325	6.8
114.02688	0.4
118.97984	0.5
119.03358	1.0
120.01185	0.3
120.99552	0.2
128.55396	0.2
131.03415	0.3
133.02864	0.4
135.04449	0.5
135.08127	0.2
135.98212	0.2
143.03413	0.6
147.04459	0.3
149.04442	0.2
151.03970	0.3
155.03384	0.2
155.10706	0.5
159.02927	0.3
161.04454	2.5
163.03926	0.3
164.07114	0.6
165.07457	0.2
173.04456	1.3
191.05569	1.2
201.60327	0.2
203.69118	0.2
207.05070	0.2
255.19856	0.3
301.08429	0.3
360.81931	0.2
379.23444	0.3
399.19501	0.2
399.23883	5.1
400.24506	0.8
417.25046	2.9
418.25330	0.3
459.18774	1.0
459.24512	1.3
460.18304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
57.03322	0.7
58.00465	0.4
59.01251	100.0
60.01588	1.0
61.98693	0.3
63.96126	0.2
69.03332	0.5
70.00662	0.2
71.01254	13.6
71.58464	0.2
71.58819	0.2
72.01606	0.3
72.20012	0.3
72.99191	0.8
73.02818	4.8
74.02356	0.3
75.00745	0.3
83.01273	1.8
83.04875	0.3
85.02823	5.4
86.03204	0.2
87.00771	0.9
87.04395	0.6
89.01750	0.4
89.02315	6.1
93.03362	0.6
95.01269	1.0
96.95900	0.8
97.02879	0.3
98.95521	0.3
99.00761	1.2
101.02319	8.5
102.02684	0.2
111.00768	0.8
111.04401	0.4
113.02328	8.1
115.00270	0.2
118.97993	0.9
119.03407	2.4
125.02376	0.9
131.03391	0.4
135.04427	0.5
135.98265	1.2
143.02487	0.2
143.03369	1.1
149.04453	0.7
155.03394	0.3
155.10696	0.3
159.02948	0.2
161.04454	3.5
161.05785	0.2
163.03990	0.5
165.05524	0.3
167.14305	0.2
169.12248	0.2
173.04497	1.2
179.03372	0.2
179.05583	0.8
191.05548	0.9
223.13300	0.3
232.92107	0.2
235.96964	0.2
239.16318	0.2
255.19679	0.6
277.15265	0.2
285.07977	0.3
297.20795	0.4
301.03290	0.3
329.19858	0.5
338.37686	0.2
399.18604	0.3
399.23865	6.6
399.28842	0.4
400.24493	0.9
417.24991	5.7
418.25229	0.7
457.42673	0.2
459.23648	1.7
459.30289	0.2
460.17960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.6
62.96279	0.6
65.92640	0.2
69.26940	1.1
69.27375	1.1
71.01236	0.3
78.95774	18.6
81.18755	0.3
94.71275	0.2
100.60201	0.2
111.21348	0.2
121.02810	0.6
122.98413	4.0
124.99976	0.5
134.98441	4.1
135.84898	0.3
143.86530	0.2
149.00011	0.4
152.01616	0.2
152.99489	4.3
157.08549	0.3
162.83858	0.3
164.83478	0.3
179.01071	8.6
180.01472	0.2
181.02495	0.3
197.02145	1.4
236.26079	0.2
261.22269	0.4
277.21722	0.6
279.23276	100.0
280.23602	9.8
295.22733	0.7
323.99991	0.2
377.22574	1.0
415.22595	2.5
416.22791	0.3
422.08606	0.3
459.25174	27.4
460.25525	4.3
471.68652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70892	0.7
53.52717	0.8
55.85527	0.8
57.65376	0.8
59.01254	4.7
69.30197	1.7
69.30600	7.0
78.95770	8.3
83.04868	1.0
94.93309	0.8
100.79154	0.9
113.79016	0.8
124.99979	3.5
152.99463	2.1
181.02605	1.9
199.03706	4.0
277.21704	100.0
278.22052	10.9
293.95233	0.8
368.60046	0.8
459.25137	7.0
459.35150	1.3
462.74857	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	459.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74676	0.1
55.43457	0.1
59.01247	0.7
69.40063	0.5
69.40489	0.5
78.95773	6.2
83.04882	0.1
87.48970	0.1
96.96844	0.2
122.98439	1.6
124.99932	0.2
143.21970	0.1
145.02907	0.2
145.65001	0.1
152.99486	1.5
179.01036	1.6
181.02699	0.1
197.02112	1.4
261.22330	0.4
279.23267	100.0
279.76257	0.1
280.23621	10.6
459.25137	11.1
460.25552	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.4
57.03326	1.1
58.00485	0.4
59.01251	100.0
60.01585	1.0
67.82923	0.3
69.03339	0.4
71.01254	7.7
71.57312	0.4
73.02815	3.8
74.17507	0.3
81.03323	0.5
83.01267	1.4
83.04919	0.3
85.02814	3.0
87.00730	0.7
87.04436	0.3
89.02315	3.2
89.05951	2.2
91.28661	0.3
93.03343	0.7
95.01247	0.6
95.04926	0.3
96.95894	1.7
99.00786	0.5
99.04431	0.5
101.02322	5.1
109.02879	0.3
111.04443	0.6
113.02343	3.9
119.03417	1.2
119.04891	0.3
121.02845	2.4
125.02411	0.3
131.03339	0.3
131.18668	0.3
135.04443	0.5
137.02348	0.4
137.09555	0.4
143.03377	0.4
149.02356	0.5
149.04472	0.3
159.02914	0.5
161.02400	0.6
161.04465	2.2
173.04506	1.1
177.09169	0.3
179.05554	0.5
191.05664	0.5
193.12352	1.1
211.13280	0.5
237.07666	4.1
238.07904	0.3
273.59946	0.3
298.11072	0.6
339.14548	0.9
355.17633	4.0
356.17886	0.4
357.15405	0.6
365.18207	0.4
373.18591	3.4
374.18961	0.6
399.16437	2.3
400.16940	0.4
415.19727	0.6
441.30667	0.4
459.18701	2.5
459.24533	0.4
460.18512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03004	1.7
59.01253	11.4
62.65691	1.5
71.01256	6.9
71.58924	1.6
72.00761	2.3
72.63187	1.6
73.02813	43.4
80.26225	1.6
85.02837	2.0
89.02338	6.4
96.95869	1.7
99.00759	4.3
101.02324	4.4
113.02316	2.5
116.92740	13.0
117.01819	100.0
118.02164	3.6
118.04980	8.8
126.54179	1.5
132.41209	1.6
141.05481	1.7
179.05505	3.0
239.77419	1.7
263.70575	1.6
341.10773	5.3
347.89337	1.6
352.92313	1.6
394.19354	1.6
459.18726	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	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97547	1.0
57.03321	2.0
58.00460	1.1
59.01251	100.0
60.01569	1.4
69.64695	4.1
69.65099	2.3
71.01256	32.9
72.99170	2.2
73.02818	30.9
78.06742	1.1
78.95792	1.4
80.88755	1.1
81.03301	1.1
83.01261	11.2
83.04901	1.9
83.18763	1.1
84.60484	1.1
85.02821	8.3
87.00750	3.7
87.04395	3.0
89.02316	10.1
93.03343	3.7
95.01278	2.0
96.95862	3.5
97.02850	1.4
97.06432	2.2
98.19848	2.2
99.00772	2.6
101.01693	2.1
101.02323	33.1
108.02084	1.2
109.02868	1.0
113.02332	9.9
115.02115	2.7
115.03865	1.4
118.97932	1.3
119.03379	3.2
119.04926	2.6
120.99596	1.3
121.02811	1.2
125.02308	1.7
131.03372	2.1
135.04407	1.7
137.09612	1.9
143.03383	2.3
147.86961	1.0
149.04443	2.2
155.03410	1.8
155.10648	6.2
161.04462	8.0
163.03967	1.5
173.04489	4.7
179.03455	1.6
191.05547	6.4
193.12236	4.7
199.09666	2.2
373.18570	3.5
399.24039	2.4
415.19760	17.6
416.20135	2.7
417.20709	1.5
429.27103	1.4
459.23730	13.6
460.24045	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	458.1854
Annotation	Apixaban
Peak:m/z	Relative Intensity
56.82024	0.4
57.03312	0.4
58.02838	1.2
59.01253	3.7
69.31801	2.6
69.32226	1.8
71.01237	1.0
72.00794	2.3
74.02344	5.3
79.95612	4.0
88.51495	0.5
89.02291	0.6
93.03315	3.7
95.95107	1.1
96.95887	100.0
97.06451	1.2
99.08025	1.0
101.02308	0.9
106.04087	0.5
107.04894	1.9
113.09583	1.2
114.09108	1.1
119.04913	17.1
120.05240	1.0
123.50562	0.5
134.05997	0.9
135.04396	1.2
136.07567	0.8
163.03914	13.0
164.04315	0.5
168.05310	0.4
173.04456	0.6
179.03345	0.4
180.06577	65.0
181.06917	2.7
191.05544	1.0
194.15416	1.9
195.13797	0.6
196.16998	1.7
205.12314	0.9
210.18582	0.4
212.16498	2.5
214.18100	3.6
223.13339	9.1
226.18178	0.7
228.19595	0.8
253.09216	1.6
272.18698	3.8
277.11145	2.0
284.47653	0.5
316.22845	0.5
332.22357	1.3
334.23892	11.9
335.24228	1.1
338.35602	0.5
360.21884	0.6
378.22833	44.8
379.23242	5.2
408.01474	0.5
414.19394	0.9
458.18524	94.5
459.18839	13.2
459.24957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2958
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
56.30710	0.4
63.47728	0.6
70.80635	1.6
77.03831	0.7
89.03809	0.6
90.50449	0.5
95.04899	2.7
96.33074	0.5
105.03335	13.1
106.03722	0.6
119.04900	0.5
121.02824	1.0
123.04386	1.6
132.02069	1.7
133.02847	60.2
134.03584	2.9
135.04410	4.4
137.02333	5.1
139.03909	1.4
148.05235	2.6
149.02299	1.4
150.03072	1.1
156.06621	0.6
160.01547	2.7
161.02367	6.0
161.06007	1.9
161.67914	0.5
162.02956	0.7
170.92534	0.5
175.03941	2.4
177.01854	5.2
178.02576	3.9
179.03406	1.8
193.04994	0.5
194.02119	0.9
196.88293	0.5
205.04904	0.5
233.08162	1.4
247.09734	1.5
261.11301	1.4
275.12805	0.7
329.17526	1.4
341.17520	2.4
342.18234	1.9
343.19119	25.0
344.19485	2.8
357.21173	0.7
371.18665	8.7
372.18930	0.9
393.21606	0.6
399.21832	1.4
425.26944	3.9
426.27069	0.6
442.27185	6.8
457.29562	100.0
458.29910	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	457.317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79919	1.4
59.01248	100.0
60.34052	1.2
68.03728	1.1
69.81520	6.3
103.37354	1.2
107.22871	1.2
159.89658	1.6
168.18089	1.2
182.85645	1.3
200.41605	1.4
209.38197	1.3
279.23285	19.5
356.88745	1.4
379.76453	1.5
416.35330	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	457.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.0
59.07989	0.2
69.41717	1.1
69.42146	0.6
71.01249	0.5
78.95777	7.9
83.04890	0.5
89.99464	0.2
98.19746	0.4
103.91914	0.7
104.97282	0.2
109.06526	0.2
115.62730	0.2
122.89317	0.4
122.98434	1.8
124.99960	0.2
127.07481	0.3
148.90891	0.3
152.99471	1.8
174.99113	0.4
179.01060	2.1
184.36815	0.2
197.02142	1.7
200.53067	0.2
217.00218	1.1
233.22803	0.5
275.20221	0.6
277.21710	100.0
278.22037	8.9
300.02121	0.8
328.01633	0.3
374.99121	0.3
388.03848	1.7
424.31094	0.3
457.23587	10.7
458.18301	0.2
458.23810	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	457.2958
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
50.87324	0.4
51.95491	0.4
59.01243	3.3
65.01859	0.4
67.98055	0.4
70.80241	0.5
70.80595	1.4
73.02859	0.6
76.44640	0.4
78.23340	0.4
85.02866	0.8
85.92392	0.4
99.04496	0.6
115.92015	0.4
120.10638	0.4
121.06530	1.4
129.48903	0.5
136.05251	1.3
161.55225	0.5
174.99249	1.7
187.11295	0.8
217.00298	3.3
231.17421	0.7
275.20068	0.6
311.24017	1.2
313.25317	10.3
314.25861	1.5
323.23770	0.4
327.23315	1.4
337.25369	0.8
339.26859	5.4
340.27469	0.9
341.24774	5.0
342.25113	0.5
347.24252	0.5
357.24274	0.7
357.28000	14.6
358.28409	1.8
361.25409	0.8
374.99237	1.6
377.28329	2.8
383.25940	2.0
395.29401	4.2
396.29813	0.9
401.26953	25.2
402.27289	3.4
421.27457	2.9
422.28384	0.5
439.28506	68.0
440.28903	10.0
457.29562	100.0
458.29913	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	457.1714
Annotation	Gein
Peak:m/z	Relative Intensity
53.25300	0.5
55.01749	1.6
56.28695	0.5
57.03325	3.9
58.00457	0.9
59.01250	54.7
69.03323	1.1
69.93840	0.6
69.96152	3.2
71.01254	28.9
72.99175	1.8
73.02818	45.8
81.03317	0.8
83.01256	9.1
83.04871	1.1
85.02836	3.7
87.00742	1.2
89.02319	5.2
95.04916	0.6
96.95869	5.4
97.02851	0.8
97.06450	0.8
98.20518	1.0
99.00729	0.9
101.02319	28.8
101.81356	0.6
102.02638	0.8
107.04939	0.8
109.02831	1.8
109.06482	1.5
113.02325	5.2
119.03377	0.8
121.06484	3.4
122.03625	18.2
123.03989	0.7
125.02350	1.3
131.03391	1.8
133.06458	2.3
135.04428	3.9
137.05974	13.5
138.06306	0.7
139.07533	1.5
143.03362	0.8
149.04443	0.9
149.05939	0.6
149.09662	3.8
157.06485	1.0
161.04440	3.7
161.05649	0.6
163.11182	0.7
165.05463	3.4
167.06975	0.6
173.09615	3.3
175.07506	1.0
176.08290	0.9
179.03432	0.8
181.89238	0.6
189.09180	1.0
190.02640	0.6
191.03412	1.1
191.10709	17.2
192.11028	1.7
193.52188	0.5
194.73329	0.5
199.40750	0.5
211.28041	0.5
219.01021	0.6
224.42789	0.7
235.06027	3.5
235.09622	2.8
305.10669	1.6
457.17108	100.0
458.17465	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	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.4
55.49487	0.1
57.03326	2.0
58.00459	0.7
59.01250	35.9
60.01584	0.5
60.99199	0.1
68.03762	0.1
69.03316	0.9
70.10280	0.1
71.01252	19.6
72.01577	0.2
72.99181	0.7
73.02815	28.9
74.03163	0.5
75.00753	0.5
80.25616	0.1
81.03336	0.8
83.01254	7.4
83.04897	1.1
84.01595	0.2
85.02823	2.8
87.00745	0.8
89.02316	3.8
93.03351	0.2
95.01283	0.6
95.04894	0.3
97.02828	0.9
97.06468	0.7
99.00748	0.7
99.04403	0.4
100.22589	0.1
101.02320	24.1
102.02666	0.4
103.54945	0.2
107.04895	1.0
109.02843	1.6
109.06454	1.0
111.04389	0.3
113.02322	4.9
119.03374	1.5
121.06487	2.0
122.03618	9.4
123.04388	0.2
123.08067	0.3
124.05130	0.2
125.02354	0.8
125.05981	0.2
131.03400	1.5
131.08507	0.1
133.06488	1.0
134.07068	0.1
135.04413	1.9
135.08037	0.2
136.05138	0.3
137.05977	9.8
138.06412	0.3
139.07542	1.3
143.03375	1.4
147.08066	0.2
149.04451	1.2
149.05966	0.4
149.09631	2.8
150.09958	0.2
151.07579	0.2
153.05392	0.1
155.03407	0.5
157.06494	0.4
158.07248	0.2
161.04466	4.1
161.05817	0.3
163.11185	0.3
165.05476	3.5
167.07094	0.2
171.08009	0.2
173.09624	2.5
175.07599	0.3
176.08382	0.5
189.09135	0.6
191.10698	16.4
192.11067	1.1
193.12267	0.3
203.05510	0.4
209.11763	0.5
221.06709	0.2
235.09686	2.6
253.10715	0.2
397.14877	0.4
415.16220	0.4
457.17117	100.0
458.17462	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	457.1713
Annotation	Foliachinenoside B2
Peak:m/z	Relative Intensity
55.01755	1.2
57.03320	2.7
58.00449	1.7
59.01249	60.9
59.14425	0.7
60.01595	1.0
68.19934	0.6
69.03314	1.3
69.33773	6.7
71.01254	30.3
72.99178	2.1
73.02816	20.6
75.00744	1.0
83.01260	6.2
85.02820	17.5
87.00748	1.8
87.52577	0.7
89.02325	9.8
89.17515	0.8
93.03336	1.3
95.01267	3.9
96.95888	3.1
97.02843	1.0
97.06502	0.8
99.00755	1.2
101.02319	28.8
102.02647	0.9
107.04908	1.3
108.02004	0.6
109.02817	1.8
109.06504	1.5
111.04352	0.7
113.02328	25.9
114.02655	1.1
119.03396	4.2
121.06470	2.0
122.03616	13.3
123.20196	0.6
124.72123	0.7
128.03406	3.3
131.03362	3.6
135.04414	3.2
137.05983	11.6
142.77316	0.7
143.03401	2.2
143.29971	0.7
149.04457	1.8
149.09613	2.7
155.03407	0.9
161.04474	3.6
165.05423	3.6
173.04497	1.1
173.09624	3.6
176.08401	1.0
191.05518	2.7
191.10707	13.5
192.11029	1.2
207.05064	1.8
211.73247	0.7
219.92960	0.8
221.06563	0.7
235.09738	1.9
237.09224	0.8
397.15268	1.3
412.08289	0.8
415.15878	1.0
457.17151	100.0
458.17459	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	455.353
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
57.03280	0.4
62.87745	0.4
69.90141	1.1
69.90552	1.0
76.75134	0.3
113.74603	0.4
130.57626	0.4
333.07385	0.4
407.33130	1.5
455.35281	100.0
456.35599	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50180	0.4
57.03322	37.3
58.03659	0.7
59.01249	23.1
61.98703	0.8
67.01748	0.3
69.38921	0.4
69.43466	2.4
69.43892	1.0
71.01244	4.2
73.02818	1.8
75.00732	0.9
81.03327	0.7
82.32067	0.4
83.01292	0.7
85.02826	1.8
89.02312	1.9
91.01771	5.2
93.03329	7.0
96.95879	2.8
97.06467	0.6
99.04395	25.4
100.04726	0.6
101.02323	9.5
107.04929	1.1
108.02032	0.5
109.02822	0.8
111.04421	1.0
113.02316	1.3
119.01273	2.7
121.02833	7.7
121.03669	0.6
125.02333	12.3
133.02811	1.2
135.04433	1.0
136.01575	0.8
137.02339	6.4
143.03429	0.5
151.03908	100.0
152.04269	3.9
155.03452	0.5
161.04449	2.0
165.09074	0.6
173.04439	4.0
173.05664	0.5
174.04916	0.4
175.03769	0.4
177.01883	0.7
178.02612	0.5
179.03401	0.9
191.05513	4.2
192.05841	0.6
200.98466	0.4
208.91998	0.4
235.13432	0.5
281.06635	1.8
367.10342	0.5
457.20551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2802
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
56.46851	0.5
59.01256	0.6
62.75806	0.4
89.79872	0.4
95.04916	1.2
105.03337	5.3
118.56156	0.4
119.04871	0.7
121.02858	0.8
123.04444	0.8
125.33712	0.5
132.02075	1.0
133.02850	28.4
134.03690	3.8
135.04405	5.1
136.01584	0.6
137.02356	3.9
139.03922	1.3
147.04439	1.7
148.05217	2.6
149.02324	1.0
149.05971	0.8
160.01559	2.0
161.02345	11.6
161.06003	2.2
162.03040	0.8
162.06703	0.6
162.74719	0.4
175.03929	1.3
177.01892	3.1
178.02669	3.0
179.03384	2.2
192.04102	0.7
193.04890	0.6
194.02124	0.8
204.11441	0.6
205.05045	0.7
233.08034	0.9
246.08945	1.1
247.09653	0.9
256.99826	0.5
261.11331	1.5
275.12885	0.6
302.15329	0.8
303.16119	0.5
317.17651	0.6
329.17725	0.7
341.17624	1.2
342.18307	2.9
343.19110	10.3
344.19507	1.5
357.20654	1.9
371.18616	21.5
372.18921	3.1
385.20328	1.2
386.20596	0.6
423.25308	0.9
440.25565	3.0
455.28049	100.0
455.35010	5.7
456.28391	17.0
456.35056	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	455.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03268	2.0
53.62034	1.7
56.76271	2.0
59.01242	1.8
63.96110	11.4
68.99680	5.8
71.20361	3.5
72.20458	1.6
79.95627	3.3
81.03317	9.6
91.05392	9.1
93.03325	5.5
95.01272	13.7
95.04897	7.2
107.04903	16.2
108.02021	2.5
109.02829	4.8
114.54695	1.9
116.89086	1.7
119.04907	24.0
121.02847	4.3
121.06494	9.1
122.03633	6.5
123.04437	2.9
133.06436	11.1
135.04411	100.0
136.04730	5.1
137.05971	29.8
143.08928	4.1
147.04401	14.7
150.03094	3.2
150.06754	5.1
151.07611	2.3
163.02222	1.9
163.03900	4.3
164.02859	2.7
174.11458	1.9
179.01634	5.5
180.02380	9.4
181.03206	2.4
182.05765	8.2
212.01439	13.3
223.59770	1.8
261.18362	2.5
290.88785	1.7
293.15741	7.4
294.16519	37.4
295.16711	2.9
310.53146	1.8
326.15527	95.1
327.15970	8.5
329.07544	1.8
344.47241	1.8
347.50031	1.9
437.62842	1.9
455.26688	5.4
459.24261	1.9
465.65192	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	455.2187
Annotation	Vindoline
Peak:m/z	Relative Intensity
57.03327	3.4
58.02845	0.9
59.01252	18.4
61.98697	0.5
62.05603	0.5
66.03321	0.4
71.01228	1.2
71.04879	0.6
72.00782	3.6
72.04436	0.8
72.99157	0.7
73.02827	0.6
74.02344	66.0
75.02676	0.6
83.04904	3.0
90.52215	0.5
95.04879	0.6
96.95882	1.4
97.01583	2.0
97.02837	0.5
97.06472	0.6
101.02342	0.7
107.08529	1.2
109.06517	0.6
110.06010	0.8
113.02342	0.8
116.04942	27.9
117.05304	0.8
121.02778	0.5
121.06506	0.9
126.75813	0.5
130.06488	1.1
130.61620	0.5
137.02402	0.5
142.06543	4.6
157.07646	0.8
159.09166	7.7
161.04503	0.6
163.14870	0.5
165.12822	0.7
171.10214	0.7
173.04539	0.8
186.05560	1.6
189.12857	1.2
191.05577	1.2
193.46042	0.5
203.08197	64.9
204.08577	4.3
204.13928	0.9
207.13809	0.8
209.11803	1.0
219.18391	0.5
222.14973	0.9
229.28442	0.6
246.15045	0.7
248.13004	0.5
251.12964	1.4
251.16560	0.6
264.16080	3.0
266.13977	8.7
267.14465	0.8
281.16537	0.8
293.16583	1.1
326.15945	0.9
352.58609	0.5
393.21869	5.8
394.22174	0.7
395.19742	24.4
396.19849	3.2
406.70831	0.5
419.19681	1.6
437.20816	11.3
438.21069	2.0
455.21860	100.0
456.22156	14.6
456.28888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31181	0.3
51.84253	0.3
59.01250	6.3
60.01561	0.3
61.98702	0.5
64.60168	0.3
70.20325	0.9
70.20721	0.7
71.01249	2.8
72.04408	0.3
72.99184	0.3
73.02818	1.0
83.01298	0.4
83.04899	0.4
85.02853	0.8
87.00741	0.4
89.02317	1.8
93.03322	1.5
96.95889	4.1
98.95445	0.6
99.00732	0.4
101.02329	1.2
113.02325	0.7
119.03377	0.6
119.04936	0.6
120.99538	100.0
121.99872	1.0
133.02841	0.5
134.03627	0.5
134.05971	0.5
135.04413	1.3
137.02330	0.9
142.65755	0.3
148.03966	0.3
152.32683	0.3
161.07182	0.4
163.03908	0.5
173.04491	0.8
189.03847	0.3
191.05566	1.1
195.34428	0.3
273.11725	0.5
283.28522	0.4
289.11172	1.0
295.10898	0.4
313.11893	0.6
372.19684	0.3
385.05005	1.1
453.17783	0.6
453.23056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.2
58.00465	0.2
58.99494	0.2
59.01249	4.7
61.98691	0.3
69.03333	0.2
70.10400	0.3
70.10791	0.3
71.01249	1.8
72.99183	0.2
73.02819	0.3
75.10194	0.1
81.76064	0.1
83.01256	0.2
85.02828	0.5
87.00745	0.3
89.02313	1.6
93.03336	0.5
95.80891	0.2
96.95882	0.5
98.20462	0.2
101.02341	1.0
109.06409	0.2
109.41104	0.1
113.02311	0.5
116.36059	0.1
119.03405	0.6
120.99541	100.0
121.99946	1.3
124.01403	0.2
135.04390	0.3
155.04546	0.1
173.04451	0.8
179.03453	0.3
185.10034	0.2
191.05531	0.4
207.10335	0.2
225.11717	0.1
273.11639	0.8
279.11627	0.2
320.15247	0.1
363.56854	0.2
383.67575	0.1
453.15323	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	453.17
Annotation	Marchantin M
Peak:m/z	Relative Intensity
58.02834	0.5
59.01250	6.9
67.01743	0.4
71.01255	1.8
71.04879	0.6
71.57892	0.3
72.00773	1.7
72.04420	0.7
73.02830	1.5
74.02344	40.2
78.87118	0.3
79.95614	3.6
80.96391	0.4
85.02814	1.2
85.06450	1.1
87.18181	0.4
89.02310	0.4
89.71105	0.4
93.03336	1.2
95.95104	1.1
96.95889	100.0
97.02860	0.4
97.06467	0.8
101.02323	1.5
101.75551	0.4
113.02316	0.9
114.09053	0.6
114.12709	0.3
116.04949	12.4
117.05312	0.5
128.10696	1.1
133.02794	0.5
134.03615	0.5
135.04469	0.6
142.06516	3.5
158.79498	0.4
159.09178	2.3
161.04529	0.4
166.12247	0.5
168.13829	0.7
173.04485	1.0
179.03343	0.4
182.15474	0.7
184.13278	1.1
186.05556	1.0
186.14906	1.8
191.05513	1.2
198.14925	1.2
200.16461	0.7
203.08192	33.0
204.08549	2.2
231.13928	0.5
244.15515	14.3
245.15881	1.1
249.08012	1.6
249.14958	0.4
249.44745	0.4
314.12216	0.4
329.22308	5.1
330.22488	0.6
373.21338	29.3
373.25693	1.2
374.21558	3.0
409.18008	0.6
417.28009	0.4
453.16922	85.8
454.17249	10.6
454.23239	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	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82835	0.1
62.96259	0.2
70.60609	0.4
78.95773	18.4
90.52687	0.1
104.97367	0.2
105.01379	0.1
109.86599	0.2
122.00006	0.9
122.98429	0.2
134.98401	0.2
135.14388	0.1
140.01086	5.1
152.99486	1.4
173.18657	0.2
192.28416	0.1
196.03729	9.3
197.04094	0.3
214.04794	2.0
237.22104	0.2
237.64517	0.1
255.23260	100.0
256.23611	9.3
336.58167	0.2
363.33524	0.1
452.27802	22.2
453.28168	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	452.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96259	0.3
71.34718	0.5
78.95773	100.0
91.81398	0.2
96.96839	8.4
140.01073	0.5
152.99486	19.7
153.99799	0.5
170.11940	0.2
171.00549	20.6
172.00912	0.3
196.03741	0.2
214.04758	0.4
255.23302	4.8
256.23639	0.4
271.27557	0.2
362.88315	0.2
365.12305	0.2
378.24026	2.5
379.24600	0.3
452.27798	89.6
453.28149	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	451.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01591	1.4
61.88928	1.0
65.87823	1.0
69.58194	3.7
69.58625	3.7
78.95757	0.9
81.03329	4.0
83.04887	17.2
97.75124	0.9
126.95734	1.0
135.85760	1.0
152.99409	1.1
191.05589	1.5
391.29669	37.8
392.29962	5.3
447.82156	0.9
451.15070	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	451.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97400	0.2
55.60642	0.2
58.02833	0.3
59.01253	3.1
61.00932	0.2
67.01761	0.3
67.03576	0.2
71.01252	0.7
73.02813	0.3
75.00758	0.2
79.95610	2.0
80.04913	0.3
80.42535	0.2
81.03333	8.0
83.04898	22.0
84.05235	0.5
85.02811	0.6
89.02342	0.3
93.03368	0.8
94.03669	0.3
96.95892	100.0
97.95826	0.6
101.02320	0.3
107.06022	0.6
108.04433	0.7
118.97974	0.6
125.07104	2.4
126.05505	0.5
143.08177	1.4
155.10713	0.3
164.33951	0.2
172.05246	0.2
173.04524	0.9
174.04771	0.3
175.04997	0.4
187.07607	0.5
189.08058	0.2
191.05571	2.2
192.05865	0.9
193.05992	1.2
199.09630	0.2
207.14999	2.6
209.11812	0.2
213.09195	0.5
214.09499	0.4
215.09851	0.4
224.17659	4.5
225.16045	10.2
226.16379	0.6
231.10269	0.5
232.10669	0.3
237.25595	0.2
242.18680	1.6
259.08856	0.6
268.16489	0.3
273.11533	0.4
275.09262	0.3
276.09689	0.3
277.09833	0.8
289.15616	0.5
290.22342	0.3
291.20844	0.2
307.23804	0.3
309.21738	0.3
324.26526	1.5
333.22955	3.6
334.23517	0.4
351.24088	0.8
367.27106	0.9
385.28369	0.4
433.31885	4.5
434.32004	0.6
451.16425	30.4
451.32883	84.4
452.16718	4.6
452.33209	11.9
460.41812	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	451.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95326	1.8
51.62900	1.6
55.01769	1.8
57.03326	2.9
59.01249	95.1
60.01571	2.5
60.99179	4.5
67.01765	13.3
71.01254	33.1
72.99171	1.7
73.02817	14.5
77.69325	2.3
83.01244	5.9
83.04913	4.3
85.02821	17.1
87.00761	21.8
88.01169	2.2
89.02308	5.6
93.03334	60.7
94.03675	18.9
95.01268	2.8
95.03787	3.4
96.95876	12.1
99.00762	4.0
99.04359	2.1
101.02336	21.3
105.03337	7.0
106.03649	2.1
108.02067	2.5
109.02817	6.5
111.00793	2.3
111.04414	14.1
111.93010	1.8
112.04745	3.9
113.02319	13.6
117.03336	2.4
119.03407	2.2
119.04923	3.3
120.99495	3.4
123.04424	2.9
133.02852	28.2
134.03676	63.6
135.03975	23.7
136.04105	9.7
137.02325	8.2
137.04895	4.2
138.01659	2.0
138.02657	2.9
139.03900	2.7
141.09123	10.0
143.10648	2.3
145.02763	3.0
155.03397	7.1
156.03746	3.8
157.03841	2.8
159.02896	2.2
161.02312	6.9
161.04430	5.9
162.03145	17.3
163.03564	8.8
164.03673	7.6
173.04477	53.2
173.05968	3.2
174.04807	28.2
175.04939	26.6
177.01857	8.3
178.02557	5.3
179.02953	3.4
180.03152	3.6
189.00378	2.5
189.08147	2.1
191.05530	44.2
192.05873	9.5
193.05980	7.2
203.05450	3.2
203.10750	2.9
204.11172	2.1
231.10205	21.1
231.32587	1.8
232.10533	18.4
233.10741	18.7
264.07507	1.9
275.09253	58.6
276.09579	59.1
277.09769	100.0
278.10129	4.0
331.17529	15.0
332.11453	1.9
349.18658	23.3
350.18884	1.9
391.19852	13.5
451.15030	29.4
451.20688	2.7
451.29022	8.0
452.15460	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	451.165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63260	0.8
59.01247	2.5
70.03692	2.9
71.01248	0.8
78.95776	1.1
79.70712	0.7
82.39658	0.7
121.80045	0.7
132.98044	0.7
139.03926	1.1
174.99094	3.4
177.09158	1.6
190.09908	1.2
192.11490	0.8
198.54280	0.7
204.11453	0.7
205.12257	1.5
220.14633	12.6
221.15366	7.8
236.10455	4.4
273.85199	0.7
277.03842	0.7
278.01276	0.6
279.02362	0.7
279.09201	0.9
280.06284	1.3
292.06216	1.2
293.07007	1.3
304.06274	1.9
306.07809	1.5
309.10336	1.1
319.04941	2.2
321.10120	2.1
334.07336	100.0
335.07755	12.1
337.13339	8.1
351.11218	6.1
381.12170	1.9
391.14355	14.2
392.14691	1.6
397.03757	0.7
442.98102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79009	0.2
57.03304	0.2
59.01244	3.4
59.23956	0.2
60.01572	0.2
61.01668	0.3
61.42973	0.2
67.01773	0.2
69.66108	1.4
71.01254	0.6
73.02818	0.4
79.95611	1.5
81.03326	2.0
83.04897	6.4
85.02823	0.3
87.00727	0.3
89.02320	0.4
93.03323	0.4
96.95886	100.0
97.95815	0.3
98.20457	0.2
101.02322	0.3
103.03893	0.2
108.85067	0.2
116.29720	0.2
118.97983	0.6
125.07083	0.8
136.62035	0.2
143.08176	0.3
155.10681	0.5
173.04466	0.4
175.04930	0.3
191.05556	1.0
192.05888	0.7
193.06018	0.8
199.09721	0.2
207.14909	0.6
213.09184	0.3
214.09529	0.4
215.09744	0.2
224.17607	1.0
225.16057	2.4
227.12878	0.4
229.13611	0.2
231.10156	0.4
233.10870	0.2
242.18771	0.5
255.18713	0.2
257.08209	0.3
258.08344	0.3
259.08716	0.4
273.11700	0.2
275.09241	0.2
276.09595	0.5
277.09872	0.2
287.15033	0.7
288.15408	0.3
289.15445	1.4
324.26559	0.4
333.22977	0.9
351.24216	0.2
357.47116	0.2
367.26987	0.3
383.22101	0.2
432.62018	0.2
433.31839	1.4
451.16388	38.6
451.32867	29.2
452.16718	4.5
452.33163	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	451.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43518	3.5
62.96273	3.0
71.56223	4.3
89.02328	4.8
96.67892	3.3
108.90077	100.0
110.89799	6.8
117.31514	3.2
141.67033	3.5
168.82153	3.6
169.91983	3.6
180.64636	3.5
192.86789	3.3
202.65939	3.3
202.67824	4.1
315.82541	4.2
341.25958	3.7
343.56577	3.4
381.65305	3.7
415.14664	12.2
451.12158	9.5
466.84549	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	451.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90372	2.0
54.97293	2.0
59.00993	2.5
59.01254	35.6
71.01241	11.8
71.12645	5.3
71.12987	2.1
72.99162	2.3
73.02811	9.6
74.02342	2.7
79.95625	2.1
85.02824	7.2
87.00753	3.1
89.02312	16.1
96.95887	24.7
97.06461	6.5
99.00709	2.1
101.02321	13.8
102.09065	2.3
107.67474	2.3
109.02831	2.5
111.83351	2.2
113.02348	5.3
119.03372	6.4
123.04424	2.1
128.03413	2.0
131.22485	2.6
133.91890	2.0
137.05986	5.1
175.35260	2.2
180.79199	2.4
191.05568	12.8
191.10751	5.7
201.78325	2.1
211.94540	2.1
239.46173	2.1
415.16064	49.9
416.16345	7.0
451.13611	100.0
452.13818	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	451.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.4
69.24942	1.6
71.01254	0.7
72.86707	0.2
79.95602	1.8
83.01241	0.2
85.02827	0.3
85.99003	0.2
89.02321	0.5
89.99899	0.2
93.03312	0.2
96.95889	100.0
97.95860	0.3
98.20554	0.3
100.94247	0.2
101.02307	0.3
105.62578	0.2
113.02364	0.2
120.70280	0.2
125.02266	0.2
191.05414	0.3
192.05904	0.3
239.27580	0.2
273.11673	0.9
276.09708	0.2
321.75684	0.2
342.61899	0.2
441.15665	0.2
451.16394	29.2
452.16763	3.2
455.91934	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	450.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85918	0.5
59.01244	2.0
67.69697	0.8
70.72746	1.4
70.73093	1.0
78.95775	30.1
93.03330	0.9
96.96831	2.1
121.86990	0.7
140.01065	2.0
148.41125	0.6
152.99501	5.6
171.00574	5.6
173.04460	1.6
196.03702	1.5
214.04761	2.4
253.21700	100.0
254.22090	10.0
305.63544	0.6
450.26230	23.3
451.26291	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	449.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73908	0.3
55.67771	0.3
59.01247	0.7
61.31577	0.3
70.53704	0.4
70.54052	0.9
78.95777	3.8
81.29959	0.3
110.98407	3.5
128.69492	0.3
130.69391	0.3
152.99496	0.3
167.01027	1.4
185.02116	2.7
281.24841	100.0
282.25189	9.5
449.26724	5.8
449.32373	0.5
450.27072	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	450.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	12.8
59.01251	15.6
62.42708	0.5
69.89816	0.5
70.02857	2.6
70.98556	1.2
72.00777	4.0
74.02334	5.7
93.03329	6.5
106.04121	1.3
107.04913	10.1
108.02067	0.5
116.03423	2.0
119.04911	11.5
133.02859	1.3
134.03606	1.9
134.06020	0.7
135.04018	1.1
136.07526	1.0
163.03920	16.2
164.04353	1.1
172.49213	0.5
173.04422	3.0
177.01718	0.6
178.02460	0.5
178.08658	11.9
180.06575	92.2
181.06926	4.3
191.05510	1.3
222.07654	38.7
223.08028	2.1
225.14963	3.3
227.12897	3.6
231.10234	1.4
232.10551	2.0
269.14001	0.7
275.09265	4.4
276.09549	7.0
353.94528	0.5
372.18054	1.3
388.21252	1.9
390.19135	7.1
391.19553	1.1
414.19424	1.0
432.20227	9.1
433.20697	1.1
450.21298	100.0
451.21652	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.1
59.01249	73.8
60.01599	0.8
60.99175	0.5
67.01759	0.6
69.03334	0.8
69.96258	2.2
71.01240	3.1
73.02820	5.0
83.01256	3.3
83.04910	0.6
85.02827	2.0
87.00735	0.8
89.02312	1.1
93.03330	4.4
97.06456	0.5
97.26635	0.5
99.04385	1.8
101.02335	3.2
105.03388	0.4
107.12571	0.4
109.06473	0.7
111.04424	1.0
111.08053	0.4
113.02338	1.9
120.18524	0.4
127.03825	0.5
133.02827	0.7
134.03622	1.7
135.04393	0.5
137.02319	0.4
155.03459	0.6
159.04420	0.4
159.75047	0.4
161.04538	0.7
165.12703	1.2
167.10754	0.6
173.04472	7.8
174.06789	1.1
184.33769	0.5
187.03867	0.5
187.07571	1.6
188.63982	0.4
189.12766	0.6
191.05533	17.4
202.06320	1.2
203.10692	1.0
207.13828	6.0
209.11772	7.4
210.12291	0.7
213.09093	1.0
215.07159	0.6
225.14894	8.6
226.15295	0.6
227.12831	42.9
228.13211	3.2
231.10211	4.5
232.10437	0.4
243.16095	0.5
251.12857	3.5
257.08197	2.5
269.13928	11.6
269.16891	0.7
270.14157	0.6
275.09256	9.5
276.09573	0.9
283.15616	0.6
287.14987	100.0
288.15274	7.3
293.13876	1.4
311.15012	2.0
329.16052	9.9
359.17068	4.3
389.18164	14.6
390.18295	1.3
433.27438	0.5
449.14328	2.3
449.19980	10.4
450.20514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.3
59.01239	2.5
60.99177	5.1
61.65073	0.7
67.01760	15.4
67.58565	0.7
69.03315	4.0
71.01256	5.6
71.35132	1.3
76.89732	0.6
81.03339	3.0
83.04880	2.3
85.02806	3.7
87.00752	16.3
89.03854	0.8
93.03335	95.9
94.03669	3.0
97.06457	1.2
99.00755	2.2
99.04420	1.3
105.03339	2.3
109.02837	2.5
110.80635	0.6
111.00784	1.1
111.04404	15.4
113.02341	1.9
117.03378	0.8
121.02817	1.1
124.01555	0.9
125.02307	0.8
127.03854	1.2
129.01826	2.4
131.10406	0.7
133.02843	13.3
134.03630	31.9
135.04422	25.2
136.04703	1.1
137.02348	7.5
139.03871	1.1
150.03102	1.7
151.03906	3.5
155.03416	5.4
155.33153	0.8
160.01556	2.6
161.02327	1.6
162.03113	2.9
173.04468	100.0
174.04826	3.6
174.06624	0.8
177.01869	4.4
178.02643	12.0
179.03413	4.9
187.07607	1.2
191.05536	31.3
192.05856	1.0
231.10210	7.2
246.78380	0.7
257.08112	2.8
275.09235	26.8
276.09497	2.4
307.08258	1.7
308.09070	5.2
328.51044	0.8
351.07117	1.7
352.08023	6.0
353.08224	0.9
449.14529	39.2
450.14923	5.7
468.35342	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	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95660	0.5
57.03070	0.3
57.03325	1.8
59.01248	84.6
60.01579	1.1
60.99186	0.6
65.50626	0.4
66.51469	0.4
67.01761	1.6
69.03313	0.9
69.86509	0.6
69.86904	1.8
71.01244	5.3
73.02814	5.3
83.01258	3.8
83.04893	0.6
85.02824	4.6
87.00755	2.0
89.02326	0.9
92.58469	0.4
93.03334	9.8
96.95887	1.3
97.06447	0.7
99.04380	2.0
101.02325	3.3
109.02846	0.7
109.06453	0.9
111.04380	2.6
113.02333	2.3
127.03881	1.1
134.03625	1.5
135.04391	0.9
153.07043	0.4
155.03401	1.9
157.94730	0.4
158.03665	1.1
159.04396	1.7
162.30823	0.4
163.07535	0.4
165.12730	1.6
167.10635	0.8
171.04565	0.6
172.05219	4.0
173.04466	14.6
173.05888	1.2
174.03128	0.8
174.04706	0.6
174.06789	1.7
175.07564	1.3
184.05203	0.5
187.03940	0.8
187.07565	5.2
189.12691	0.7
191.05527	41.1
192.05898	1.7
197.05997	0.5
198.06815	0.6
202.06308	1.3
203.10651	1.7
207.13837	5.4
209.11766	6.8
213.09158	12.9
214.09526	1.0
215.07091	2.5
215.13483	0.4
225.14943	8.7
226.15129	0.7
227.12836	37.7
228.13145	2.4
231.10225	10.5
232.10519	0.5
233.06499	0.6
233.11816	0.6
251.12851	2.2
257.08188	11.9
258.08481	0.7
269.13925	11.1
269.16840	0.6
270.14291	0.7
275.09247	12.8
276.09698	0.5
287.14990	100.0
288.15375	6.6
293.13943	1.7
311.14951	2.2
323.14642	0.5
329.16019	8.0
330.16211	1.0
359.17056	3.2
389.18152	15.6
390.18393	1.4
449.14279	2.6
449.20206	10.9
450.20541	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	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48458	0.3
56.16499	0.2
59.01252	0.4
70.33395	1.1
78.95776	5.1
110.98417	4.2
167.01050	2.2
185.02129	4.3
204.68185	0.2
216.48901	0.2
261.22183	0.4
279.23279	100.0
280.23621	12.3
402.40366	0.3
406.19565	0.3
447.25183	5.5
448.25461	1.0
462.94000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39228	0.9
53.76250	1.0
56.68382	1.3
59.01244	15.7
67.01767	2.8
69.03323	2.2
69.25719	11.2
71.01257	3.9
77.13206	1.0
81.03330	1.6
83.04852	1.1
85.02829	10.6
87.00748	8.2
93.03337	18.0
96.27142	1.2
98.20566	2.3
99.04376	1.1
101.06798	1.0
109.02830	2.3
111.04398	5.7
127.03893	2.5
128.48604	0.9
133.02843	1.3
134.03606	1.6
135.04411	1.0
137.02371	1.9
146.03612	1.2
149.05972	1.3
155.03459	2.3
158.03651	1.6
159.04378	3.3
172.05206	4.7
172.06592	1.2
173.04483	29.4
173.05991	6.2
174.06639	2.1
175.03999	1.1
183.04405	2.8
187.03955	3.8
187.07581	35.9
188.07983	2.3
191.05544	100.0
192.05894	3.3
200.04724	2.3
201.05510	5.3
202.06250	12.5
203.10818	2.6
213.09123	8.5
215.07047	10.1
216.07764	2.2
227.12822	4.5
229.08626	3.7
231.06546	3.5
231.10223	24.7
232.10631	1.9
239.41611	1.1
257.08133	12.0
269.13928	1.2
275.09247	50.4
276.09647	3.0
287.15012	10.7
418.46732	1.2
449.14459	8.5
449.19876	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	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06927	0.2
50.67387	0.2
59.01247	1.4
62.96285	1.3
69.50214	1.4
78.95774	42.5
87.39199	0.2
96.96836	2.8
148.99995	19.8
150.00308	0.4
151.01524	0.2
152.99471	0.3
155.07036	0.6
158.92439	1.7
161.00127	0.2
179.01062	2.6
205.15926	1.5
240.96729	0.2
267.11545	0.5
347.08365	0.5
417.12283	0.7
431.10214	2.6
432.10870	0.4
447.13400	100.0
448.13742	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	447.0932
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.76605	0.3
59.01240	1.3
60.51358	0.3
62.01382	0.3
63.02268	0.4
66.33031	0.3
67.65364	0.3
69.57533	2.0
74.95253	0.4
75.98672	0.3
83.01271	0.5
88.01188	0.3
93.03339	0.6
98.20528	0.4
107.01269	1.0
117.03345	0.5
125.02344	0.4
132.02086	0.6
135.00778	0.4
151.00291	2.6
153.01837	0.3
159.04300	0.4
163.00250	0.5
164.01060	0.5
169.01277	0.4
169.06528	0.4
178.99797	0.8
183.04475	1.5
185.06010	0.6
187.03867	0.5
191.05554	0.6
199.03943	0.4
200.04735	0.3
211.03868	2.0
213.05481	0.7
227.03439	83.7
228.03783	6.5
229.04991	1.7
239.03404	1.1
240.04182	0.4
255.02953	100.0
256.03494	15.0
257.04431	2.0
284.03244	77.8
285.03918	24.8
286.04401	1.7
327.05084	1.0
351.25217	0.3
447.09290	77.0
448.09671	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	446.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90685	4.1
56.88734	3.6
58.03973	3.9
59.01247	14.1
67.02884	3.5
68.77348	3.2
71.57242	5.4
83.02402	6.6
92.04926	22.6
96.95911	5.2
102.05502	11.7
109.03970	9.8
117.24364	4.0
126.06626	49.2
128.03421	40.2
134.57683	3.6
136.03989	7.3
136.39838	3.5
146.04449	6.4
147.05524	14.7
148.03943	29.1
148.90005	3.9
177.10324	7.9
189.10275	12.5
191.05516	5.9
215.08102	4.7
221.09232	4.4
233.09291	16.2
275.11487	48.3
300.11374	4.4
317.13705	11.9
360.16705	13.3
386.14645	9.4
404.15714	100.0
404.20630	7.3
405.15982	7.2
428.16763	5.2
429.15158	8.5
446.17896	69.2
447.18228	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	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40265	0.5
59.01249	100.0
60.01597	0.8
61.98693	1.0
68.16351	0.6
69.60152	3.8
71.01249	1.4
89.02321	1.4
90.22643	0.5
91.03884	3.9
96.95888	8.8
103.55740	0.5
129.09096	0.8
153.09131	1.1
209.11835	3.0
211.13431	1.4
212.65915	0.6
293.21249	1.2
311.22275	14.8
312.22626	2.3
342.39917	0.6
348.97787	0.6
364.37531	0.6
445.11850	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	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01574	1.1
60.89179	0.4
69.59963	2.4
69.60371	0.9
71.01254	0.6
89.02336	0.8
91.03913	1.8
96.95894	2.5
121.02859	1.1
146.51793	0.5
153.09119	0.8
161.04539	0.7
195.04802	0.5
205.12465	0.6
209.11806	0.7
211.13402	1.7
248.29779	0.5
293.21115	0.8
311.22256	11.3
312.22726	1.5
354.87619	0.5
385.18851	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	445.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46290	0.3
54.43953	0.3
59.01244	1.4
71.01261	0.3
71.16457	0.3
78.95780	5.1
110.98407	3.7
127.25619	0.3
158.82770	0.3
160.27856	0.3
167.01086	1.5
185.02115	4.5
229.18811	0.4
275.19949	0.4
277.21704	100.0
278.22037	11.7
445.23572	4.6
446.23990	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	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.9
61.55812	0.4
62.96282	0.4
70.09766	1.1
70.10186	0.8
71.01231	0.5
73.02847	0.3
78.95775	18.5
89.45949	0.3
94.62611	0.3
94.98895	0.6
104.97329	0.5
110.97630	0.6
110.98412	13.1
136.99947	0.4
152.99405	0.7
167.01060	14.0
185.02122	3.9
214.02663	0.3
233.22704	0.6
259.20694	0.7
275.20181	0.4
277.21716	100.0
278.22037	10.3
344.28427	0.4
419.87921	0.4
433.96927	0.4
445.23618	14.4
446.24069	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	445.2079
Annotation	Dendroside G
Peak:m/z	Relative Intensity
51.82582	0.3
55.01758	0.7
57.03324	1.2
58.00466	0.7
59.01252	42.5
60.01586	0.5
69.03333	0.9
71.01251	16.9
71.04904	1.0
72.97393	0.5
72.99178	1.2
73.02816	19.2
74.02332	1.3
74.98988	0.6
79.95624	0.3
83.01262	2.7
83.04902	0.9
85.02821	5.0
85.06420	0.3
87.00754	3.6
87.04388	0.6
89.02317	6.9
93.03347	1.4
95.01257	1.0
96.95890	1.1
97.02829	0.7
97.06454	0.4
99.00774	1.0
99.04408	1.5
101.02319	12.1
101.05952	0.3
102.71243	0.3
103.41859	0.2
109.02848	0.3
111.00748	0.3
111.04419	0.3
111.08060	2.0
113.02332	5.1
114.02666	0.3
115.07534	0.3
116.04976	0.5
117.05434	0.3
118.97994	0.7
119.03378	2.2
119.04885	0.4
120.99538	0.4
123.08096	0.6
123.56873	0.3
125.02332	1.2
125.05973	0.3
125.09589	0.4
129.09097	2.1
131.03444	0.3
134.06020	0.3
135.04457	1.4
136.07533	0.8
136.99088	0.3
137.02345	1.8
137.09615	0.8
141.09137	0.4
142.06625	0.3
143.03407	0.7
151.00298	0.7
153.09169	0.5
155.10675	1.9
159.03032	0.5
160.03906	0.4
161.04456	0.8
165.56264	0.3
173.04472	1.5
178.99823	0.4
179.03421	0.9
179.14316	0.4
180.06601	0.4
181.08527	0.5
181.48421	0.3
188.03406	0.4
191.05551	2.0
197.15314	0.4
198.07603	0.4
199.09628	0.5
203.08241	1.2
209.11745	2.8
221.15407	0.6
223.13364	4.7
224.13757	0.3
241.14407	7.1
242.14803	0.4
243.15987	0.4
265.14429	0.3
281.09299	0.7
283.15460	2.6
284.15900	0.4
293.32645	0.3
297.12494	1.0
298.01102	0.4
309.08826	1.1
327.13345	0.4
355.13049	0.4
367.16818	0.3
369.10898	0.4
385.18619	7.5
386.18796	0.9
401.21021	0.3
403.19687	24.9
404.20117	2.7
427.19031	0.5
445.20712	100.0
446.21094	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	445.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
55.93184	0.2
57.03312	0.4
59.01251	13.6
60.01581	0.3
68.99695	0.3
69.03334	0.2
69.82935	0.4
69.83353	0.6
71.01251	4.8
73.02818	1.4
74.02332	0.2
74.98969	0.3
75.00767	0.2
83.01248	1.1
85.02812	1.7
87.00761	0.4
89.02308	1.0
91.05408	0.2
93.03336	12.1
94.03673	0.3
95.01273	0.6
96.95895	0.5
96.99168	0.4
97.02828	0.4
99.00739	0.2
99.04411	0.3
101.02319	3.9
108.02061	0.5
111.02399	0.2
113.02352	1.6
115.41869	0.2
117.03335	0.2
119.04916	100.0
120.04453	0.1
120.05241	4.2
120.21611	0.2
120.99509	0.5
121.02845	0.7
130.08644	0.6
132.04463	0.3
134.06027	0.6
135.04468	0.4
136.01559	1.0
137.02342	23.2
138.02675	0.8
141.82373	0.2
145.02905	0.5
147.04416	0.4
149.02373	0.3
151.03877	0.3
161.04518	0.4
163.03917	46.0
164.04260	2.2
178.99841	0.2
179.03383	0.9
189.45952	0.2
191.05573	0.2
205.12256	0.2
209.11792	1.2
218.04524	0.2
221.04578	0.2
223.13379	0.2
239.05569	0.5
249.10468	0.5
277.09778	1.5
278.10211	0.2
279.11450	0.2
281.06650	37.2
282.07034	3.1
283.15369	0.4
295.10870	0.5
300.02783	0.3
301.03717	0.3
302.61307	0.2
325.11951	0.2
337.11877	0.3
353.11362	0.8
369.14474	1.2
385.14203	0.4
385.18634	0.2
401.12329	1.1
403.19388	0.4
445.11411	32.7
445.20132	2.4
446.11694	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	444.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.8
58.02847	1.4
59.01248	10.9
63.08321	0.5
69.03315	0.8
69.25979	6.0
70.75173	0.5
71.01250	2.2
72.00780	2.6
72.97382	0.6
73.02816	2.0
74.02339	6.3
79.95596	3.1
83.01260	0.8
85.02825	1.2
85.06470	0.9
87.00744	0.7
89.02306	1.9
89.88100	0.5
93.03339	4.5
94.18381	0.6
95.95133	0.7
96.07964	0.5
96.95885	88.3
97.06481	0.6
98.05993	1.7
99.04414	0.9
99.08036	0.9
101.02323	1.8
107.04879	1.5
109.02813	0.6
111.08038	0.8
113.02319	1.1
114.09126	1.0
118.97958	0.9
119.04913	15.8
120.05216	1.0
128.03462	0.9
130.08618	2.7
134.05989	1.3
136.07547	2.3
137.09616	0.7
153.09120	0.8
160.03908	0.9
163.02666	0.9
163.03917	10.4
163.11076	0.6
164.04149	0.6
165.12770	0.7
173.04439	2.4
180.06578	66.3
180.13834	2.0
181.06908	2.3
181.12212	0.9
182.15404	2.0
191.05551	1.2
191.10655	1.6
198.14890	2.2
200.13939	1.6
200.16496	3.9
209.11758	13.7
214.18091	0.9
243.15785	0.6
247.13499	0.6
253.09186	2.6
258.17081	4.1
262.10797	3.4
263.09573	2.2
283.15457	1.1
294.11029	0.5
297.12323	1.4
301.03159	0.6
318.20618	1.5
320.22305	11.5
321.22549	1.2
332.24304	0.6
344.14969	0.7
364.21274	49.7
365.21652	5.7
400.17493	1.1
415.19885	3.3
438.02673	0.6
444.16876	100.0
445.16479	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	444.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84208	0.3
55.01698	0.5
57.03279	0.9
58.00426	0.6
59.01193	35.4
60.01579	1.8
61.01627	0.4
71.01250	12.3
71.01610	0.5
72.01547	1.0
72.01930	0.3
72.99155	0.8
73.02813	9.6
74.03101	1.2
75.00729	0.5
83.01250	2.8
83.04844	0.6
85.02832	3.1
86.03107	0.6
87.00696	0.8
89.02321	6.2
93.03261	0.7
95.01244	0.6
96.95824	1.1
98.19781	1.0
99.00717	1.0
101.02317	9.0
102.02608	1.6
108.02031	0.4
111.00674	0.4
111.07958	1.1
113.02337	3.9
114.02609	0.6
117.03300	0.7
119.03345	1.4
119.04910	42.2
120.04402	0.6
120.05188	1.9
121.02782	0.5
125.02271	0.5
131.03314	0.4
132.05704	2.5
133.05202	0.4
134.05957	1.3
135.04353	0.5
136.07571	2.9
143.03357	0.9
145.02853	5.2
147.04390	0.4
149.04382	0.6
161.04463	2.3
162.05536	7.9
173.04411	0.9
174.05447	0.9
179.05473	0.8
191.05418	0.9
198.11287	0.7
209.11702	0.7
211.07622	2.6
221.11633	0.5
222.12111	0.8
226.08652	1.3
234.31374	0.3
240.10199	0.8
241.14127	0.5
270.07751	0.8
282.11337	100.0
283.11685	10.3
290.08932	0.6
385.18695	1.4
402.18466	0.4
431.98523	0.4
444.19626	18.2
445.20465	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	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35551	0.6
59.01250	100.0
60.01588	1.1
62.01608	0.5
65.79863	0.6
71.28125	1.1
87.09222	0.6
207.10268	1.9
209.11841	1.1
217.00299	1.1
291.19791	2.0
309.20724	2.7
387.29141	3.2
425.30832	0.9
436.37863	0.9
443.31958	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	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01597	1.0
61.42276	0.5
70.01605	1.7
70.02016	0.8
71.01276	0.5
75.75949	0.5
78.91751	0.5
91.03884	1.2
92.47355	0.5
98.19882	1.1
104.73342	0.5
108.69453	0.5
109.06493	0.9
111.08013	1.4
163.02597	0.5
165.30843	0.5
197.11787	3.3
207.10216	1.1
291.19611	2.7
292.20016	0.6
309.20700	7.8
310.20969	0.7
344.82596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95743	0.5
59.01249	100.0
60.01583	1.2
69.60368	0.4
69.60706	3.3
71.01254	0.5
89.02319	0.7
90.96551	0.5
91.03886	3.3
96.95877	6.1
98.19787	0.8
109.06484	0.9
111.08063	1.6
112.31627	0.4
121.02859	0.8
124.66597	0.6
174.99182	0.5
197.11746	6.1
207.10266	0.9
211.13358	0.8
217.00392	0.5
228.79810	0.5
242.33684	0.4
291.19611	4.5
295.28799	0.5
309.20667	11.3
309.24188	0.6
310.21204	1.1
383.59225	0.5
443.28110	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	443.1921
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01759	2.0
57.03324	1.6
58.00460	1.2
58.75913	0.3
59.01250	33.1
60.01598	0.3
64.31988	0.3
68.25181	0.3
70.90703	0.7
71.01250	23.9
72.01602	0.6
72.99185	1.8
73.02815	3.9
83.01255	3.2
83.04881	0.4
85.02824	8.1
85.03345	0.5
87.00727	1.5
89.02312	17.5
95.01244	2.2
97.02837	0.4
99.00757	1.7
101.02319	19.4
102.02644	0.4
104.92806	0.3
105.08469	0.3
111.04385	1.0
113.02323	10.6
119.03386	6.6
120.03821	0.3
123.08070	0.6
125.02255	0.4
131.03349	0.7
143.03387	0.4
153.45508	0.4
161.04451	1.4
171.11636	0.4
179.05508	0.6
179.21570	0.3
189.12787	1.4
189.22868	0.4
208.58446	0.4
219.13843	1.4
237.14952	1.2
281.13995	0.5
347.07010	0.3
395.19366	0.4
443.19177	100.0
444.19537	12.8
444.24411	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	443.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
57.03321	4.1
57.64153	0.4
58.00471	0.9
59.01251	48.5
60.01566	0.6
67.47517	0.3
69.03327	1.2
70.02893	2.0
71.01253	18.4
72.01588	0.6
72.99184	0.6
73.02818	12.8
74.03149	0.4
83.01257	3.7
85.02817	10.0
87.00761	1.1
89.02326	3.3
95.01258	2.5
97.02818	0.6
99.00754	1.5
101.02323	11.4
107.04993	0.4
109.06473	1.9
113.02325	12.0
119.03402	0.7
121.02822	0.5
121.06496	2.2
123.08044	3.1
125.02284	0.7
129.07063	0.5
130.05948	0.4
131.03401	0.6
135.08035	1.1
139.00244	0.5
143.03398	0.8
149.04443	0.6
151.11229	0.8
159.11693	1.7
161.04482	1.9
175.11212	1.5
176.11499	0.6
177.12808	4.4
195.13857	5.0
221.11786	6.5
239.12900	2.4
323.60867	0.4
357.18790	0.6
383.17041	12.4
384.17416	1.3
401.18152	10.2
402.18127	1.0
443.19183	100.0
444.19565	12.5
453.01392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47144	0.2
51.53059	0.2
55.01753	0.7
57.03320	1.0
58.00469	0.5
59.01251	33.3
60.01593	0.3
62.65632	0.2
69.03358	0.3
69.26663	2.3
69.26981	0.4
71.01255	11.6
72.01572	0.2
72.99202	0.4
73.02819	9.8
74.03181	0.3
81.03352	0.2
83.01254	2.8
85.02824	4.5
85.99993	0.3
87.00750	0.6
89.02315	2.6
95.01271	0.7
97.02825	0.4
99.00748	1.6
101.02323	10.0
102.02673	0.3
109.06445	0.4
111.00754	0.3
113.02327	4.3
119.03407	0.5
121.02850	0.8
121.06464	1.2
123.08057	0.8
137.24995	0.2
143.03392	0.5
151.11226	0.3
154.56633	0.2
159.02893	0.3
161.04468	2.8
161.09636	0.3
177.12753	2.0
195.13866	2.3
204.22960	0.2
221.09755	0.4
221.11774	3.5
222.12161	0.3
239.12756	0.5
252.49698	0.2
268.56479	0.3
286.46722	0.3
357.19220	1.6
383.17242	1.6
384.17444	0.3
401.18146	4.9
402.18588	0.4
443.19189	100.0
444.19547	11.8
444.24463	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	443.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69639	2.1
57.03322	14.6
57.76933	2.2
58.00450	2.2
59.00945	4.8
59.01249	100.0
69.03333	3.2
69.25140	25.7
71.01254	34.5
72.99165	2.0
73.02821	32.2
83.01253	8.9
85.02812	6.4
85.06467	4.7
85.12218	2.0
87.00736	5.5
87.04390	6.4
88.61411	2.1
89.02332	6.1
95.04929	4.2
96.95877	8.2
97.02759	3.8
98.19733	4.3
101.02332	22.9
109.02857	2.4
109.06477	27.3
112.28035	2.2
113.02308	9.6
113.05974	17.6
116.76904	2.2
116.77732	2.4
119.03390	2.1
120.43072	2.1
123.08115	2.4
125.09596	4.6
128.03384	3.2
135.04362	2.9
135.08034	2.6
136.05182	11.3
137.05959	3.1
139.07570	6.0
143.04480	3.0
148.05153	2.6
151.07547	29.8
161.04491	3.2
161.09460	2.8
163.07545	34.4
164.08269	10.8
164.62959	2.2
168.07841	5.6
169.08592	3.7
173.06000	2.8
177.05476	4.4
178.06209	3.4
179.10680	63.9
180.11072	5.7
188.08325	2.7
191.05537	11.5
191.07074	5.0
191.10663	3.5
203.10728	11.8
205.08740	2.8
207.05034	5.3
219.13658	2.7
221.11769	64.5
222.12119	4.6
239.12730	4.7
377.10709	2.3
443.19193	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	442.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02840	1.4
59.01252	3.0
71.01212	0.5
72.00777	2.8
79.95611	3.3
81.95238	0.4
91.05397	1.4
95.95123	1.1
96.95889	100.0
97.06448	0.6
99.08037	1.5
109.06435	0.6
113.09579	1.1
114.09138	1.1
117.00159	0.4
118.06460	0.5
147.04419	22.3
148.04733	0.9
152.56355	0.4
164.07080	60.5
165.07440	3.1
176.14349	0.5
191.05551	0.6
194.15480	2.9
196.17041	3.3
197.17390	0.5
207.10158	1.2
212.16470	3.4
213.16570	0.5
214.18068	10.2
237.14864	0.5
240.15987	1.8
277.11121	2.5
296.71924	0.4
344.22330	0.6
362.23352	50.7
363.23694	6.3
442.19012	91.1
443.19388	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	442.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30442	0.7
57.03383	0.8
59.00999	2.9
59.01334	16.0
60.01666	0.7
61.98783	0.8
64.74903	0.5
69.43479	1.3
69.43892	4.3
71.01348	3.3
72.00841	0.9
72.04514	7.1
73.02918	4.3
74.01984	1.6
74.02447	11.6
79.58797	0.5
79.95718	5.7
80.96474	1.1
81.95271	1.2
81.96121	0.5
83.01348	0.6
83.05009	1.0
85.02941	2.1
86.06109	2.8
87.00803	0.8
89.02422	1.7
93.03452	4.2
96.96009	9.0
97.02895	0.7
97.06530	1.0
98.20496	1.1
98.95558	1.4
100.00363	0.6
101.02431	2.0
103.30008	0.5
106.04198	0.6
107.05030	1.9
108.02176	0.6
109.02991	0.6
109.06560	0.6
113.02435	0.9
116.38805	0.5
116.79140	0.6
118.98054	0.8
119.03519	0.9
119.04916	9.2
123.04515	0.6
123.08156	0.8
131.03610	0.7
134.06021	5.5
135.04546	1.4
135.08128	1.4
136.07726	1.2
137.09631	8.3
148.04245	3.1
153.01958	0.7
154.12268	4.3
155.03506	0.8
155.09592	0.5
155.10815	2.3
155.12761	0.8
158.13326	0.6
161.04628	1.5
163.03946	6.3
168.14087	0.8
169.92632	0.6
173.04514	3.1
174.04860	1.2
178.99998	0.8
179.03552	0.8
180.06583	27.7
181.07167	1.3
181.08781	1.8
191.05513	4.8
192.10342	2.3
194.11827	4.4
194.73999	0.5
198.11403	1.2
199.09795	1.6
203.10884	0.6
212.12822	5.0
214.01721	5.1
221.11879	0.9
237.14882	0.6
238.10808	8.6
239.11053	0.6
244.13620	1.1
256.11850	7.5
256.17065	1.0
270.20847	0.8
272.09500	0.6
274.18109	18.2
274.20966	1.1
275.18567	1.6
287.15237	0.8
300.16165	2.6
318.17068	5.6
319.17612	0.8
344.15073	2.1
362.16077	100.0
363.16449	11.2
363.20898	0.9
401.18100	0.7
442.11588	86.6
443.11938	9.9
443.18881	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	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35548	0.9
59.01250	100.0
65.65668	1.0
69.26929	4.6
69.27360	6.4
96.81625	1.0
98.19850	2.5
194.92781	1.6
195.94746	1.1
213.37178	1.0
217.00264	7.2
242.42867	1.2
289.18097	3.8
307.19205	4.3
344.67776	1.1
359.01761	1.9
384.32123	1.2
395.20404	1.1
450.03284	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	441.3007
Annotation	Paxisterol
Peak:m/z	Relative Intensity
59.01247	2.0
59.44112	0.4
61.30285	0.5
69.03331	1.5
71.57197	0.7
71.57623	0.8
103.91918	0.5
113.58562	0.5
130.14543	0.4
169.48990	0.5
217.00269	1.5
221.49112	0.4
283.04214	1.8
291.19678	0.9
307.08539	0.8
337.25186	1.0
363.26831	0.6
379.30054	0.9
381.11502	1.9
381.28079	1.8
397.31027	11.3
398.31671	1.8
441.11285	4.1
441.30096	100.0
442.30444	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	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01587	0.9
71.05998	1.2
80.59206	0.4
88.44987	0.4
97.06454	0.5
102.46841	0.5
151.11160	0.5
171.10260	0.7
174.99254	0.6
195.43095	0.5
209.11813	0.6
217.00334	1.5
289.18179	2.4
307.19104	2.5
338.10733	0.5
359.01276	0.6
447.32013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34782	0.5
54.83450	0.5
57.03312	1.5
59.00987	1.0
59.01251	12.6
67.01761	4.7
68.77132	0.6
69.03333	3.2
71.01252	6.9
72.99171	1.3
73.02814	2.1
79.95608	1.0
81.03340	1.3
83.01260	1.5
83.04889	1.8
85.02832	2.3
87.00749	2.6
89.02346	0.7
93.03337	29.7
93.88921	0.6
94.03697	0.9
96.95887	3.6
98.19785	1.9
99.00773	0.7
99.04368	0.9
101.02321	2.5
109.02835	1.5
111.00735	0.9
111.04409	5.7
113.02340	1.6
119.03375	0.8
119.04939	0.9
125.06039	0.6
128.03423	0.9
134.03578	0.8
135.04433	3.3
137.02328	5.5
139.04016	0.6
143.04510	0.9
155.03416	4.6
161.04489	1.0
163.03891	1.4
163.11217	1.0
173.04471	100.0
174.04813	4.5
175.11218	0.6
178.02658	1.1
179.03378	3.7
179.10747	1.4
191.03600	1.2
191.05576	5.5
193.15939	0.7
207.05075	0.7
209.11827	1.6
219.13882	0.8
229.55786	0.9
232.51697	0.6
267.16040	11.6
271.02179	0.7
284.02899	0.8
344.28314	0.7
380.46722	0.6
380.52322	0.6
441.21564	13.5
442.21848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31642	0.7
55.01756	2.1
56.93984	0.8
57.03325	3.7
58.00489	0.9
59.01250	100.0
60.01583	0.8
60.03756	0.8
61.98708	3.0
69.03320	1.6
71.01252	38.4
71.37517	1.3
71.37847	0.9
72.99174	2.5
73.02818	25.0
75.00754	1.4
79.95599	1.0
83.01255	11.0
85.02818	16.6
85.99989	1.4
87.00755	2.7
89.02319	5.8
93.03328	0.8
93.06991	0.8
95.01266	2.9
96.95887	20.4
97.02844	1.5
99.00762	3.9
101.02325	31.7
112.01558	1.3
113.02322	14.9
119.03398	1.7
119.04907	2.0
120.99504	0.8
121.06482	3.3
125.02340	1.0
131.03413	1.8
133.06517	1.2
133.10121	0.8
143.03397	2.6
149.04401	1.1
149.09622	0.9
159.08034	2.3
160.08882	1.0
161.04497	5.0
173.09595	1.2
175.11198	77.1
176.11528	4.8
183.12325	1.0
191.05557	1.6
193.12273	35.7
194.12622	2.9
201.09082	2.0
203.70827	0.8
219.10278	4.3
305.10593	4.0
306.11072	1.0
337.12723	0.6
337.16565	14.5
355.17615	36.3
356.18005	3.4
381.15118	1.0
441.17719	11.3
442.18127	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	441.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03024	0.2
57.03319	1.0
59.01252	3.9
60.61417	0.2
60.99164	0.6
67.01759	4.2
69.03324	1.6
71.01256	2.8
72.99191	0.4
73.02815	0.5
79.86464	0.2
80.96371	0.2
81.03317	0.8
81.06956	0.2
83.04897	1.4
83.08102	0.2
85.02813	0.8
87.00728	0.5
90.79364	0.2
93.03336	24.1
94.03673	0.6
96.95877	0.8
97.02808	0.2
97.06456	0.2
99.04420	0.5
101.02332	0.3
101.32564	0.2
109.02825	0.6
111.00755	0.8
111.04399	4.1
112.04766	0.2
113.02369	0.4
115.03886	0.2
119.04889	0.5
127.00159	0.2
127.03923	0.4
128.03407	0.2
134.06052	0.2
135.04570	0.2
137.02339	4.6
153.09099	1.0
155.03403	4.5
162.71887	0.2
163.03915	0.8
173.04468	100.0
174.04819	3.1
179.10690	2.9
191.05551	1.3
203.22997	0.2
209.74400	0.2
215.07010	0.3
229.08784	0.2
267.16010	13.6
268.16452	1.0
298.94531	0.2
353.97235	0.2
381.56171	0.2
441.21280	10.3
442.21777	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	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.4
57.03315	0.7
58.00470	1.7
59.01250	100.0
59.42506	0.4
60.01579	0.9
62.99483	0.4
69.03324	2.2
69.23420	3.5
71.01252	49.6
72.01592	0.8
72.02038	0.5
72.73000	0.3
72.99181	1.9
73.02816	97.5
74.03139	1.7
75.00731	0.9
81.03339	0.6
83.01255	23.8
83.04949	0.4
84.01615	0.5
85.02818	4.8
86.78307	0.3
87.00800	0.8
89.02313	8.1
90.06586	0.3
93.06972	0.9
95.01266	0.9
96.16165	0.3
97.02834	2.2
99.00764	1.5
101.02319	66.5
102.02643	1.5
113.02327	10.5
118.64954	0.3
119.03377	2.0
121.06479	0.8
123.07999	0.4
125.02316	3.4
126.59847	0.3
131.03409	4.0
133.10117	0.6
143.03381	3.5
149.04489	3.6
155.03429	2.1
159.08066	1.5
160.08746	0.5
161.04466	11.4
173.09721	0.9
175.11195	50.6
176.11577	3.4
193.12270	2.8
203.05518	0.8
219.10196	4.9
221.06729	0.6
315.20914	0.4
337.16589	0.9
355.17584	3.4
356.98215	0.4
381.15570	0.4
387.88785	0.4
399.16669	0.6
405.65149	0.4
441.17639	55.9
442.17929	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	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.5
57.03321	3.7
58.00455	2.1
58.92865	0.7
59.01248	100.0
60.01591	0.9
60.91743	0.5
61.98695	1.9
66.25812	0.6
67.89912	0.5
69.03317	3.3
71.01253	40.4
71.44818	1.1
72.01579	0.6
72.99183	1.8
73.02817	36.3
75.00751	2.5
78.07914	0.8
83.01254	10.5
84.85868	0.7
85.02821	21.6
86.03185	0.7
87.00752	2.6
89.02317	12.0
95.01255	7.6
96.95908	1.1
97.02811	2.9
99.00710	0.9
99.04369	0.6
101.02319	51.3
102.02673	1.4
108.02065	0.9
109.02836	2.5
111.04434	1.3
113.02324	40.9
114.02672	1.6
118.97976	2.5
119.03397	8.0
119.04866	1.4
121.06495	3.0
122.03625	1.0
123.04424	1.2
123.08060	0.7
125.02364	1.7
125.05947	1.4
127.91387	0.6
131.03392	7.0
133.06444	0.7
135.04430	1.0
135.08005	0.6
137.05968	0.9
143.03403	4.7
145.06458	0.6
149.04456	4.8
149.05939	1.6
151.03979	0.8
155.03506	0.7
159.08028	1.8
160.08806	0.6
161.04463	9.3
161.05966	2.0
162.06699	1.3
163.03889	0.9
167.07022	1.1
173.09612	2.3
175.11194	41.9
176.11545	2.8
177.09114	2.7
179.05566	0.7
179.06999	1.4
185.05977	0.7
186.06824	1.8
191.05560	0.9
191.10728	1.6
193.12256	1.7
201.09132	8.8
204.07869	0.6
219.10199	14.2
220.10735	0.9
221.06497	1.5
237.11215	1.7
337.16391	1.9
355.17493	1.6
381.15326	0.9
399.16473	1.0
423.16553	1.9
441.17627	31.8
442.18198	3.9
442.23450	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	439.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.7
70.04519	0.8
70.04932	0.6
71.01241	0.6
72.99216	0.3
73.02812	0.4
75.77689	0.2
78.95780	0.3
79.95605	54.8
80.95544	0.3
80.96380	0.9
85.02821	0.8
93.03326	0.6
95.57944	0.3
95.95107	15.6
96.95887	100.0
97.95811	0.5
101.02312	0.5
108.02045	0.7
109.02834	0.5
110.97463	6.1
111.00712	0.2
111.04351	0.3
113.02351	0.4
114.05460	1.4
119.04930	0.3
122.03656	0.3
123.04378	0.2
129.10265	0.6
131.51523	0.3
135.04445	0.8
137.02341	3.5
141.95686	2.4
147.04424	0.3
149.99832	1.6
150.03082	0.3
157.09625	0.3
159.04372	0.6
160.05212	0.6
161.05980	0.4
163.03925	0.7
164.98543	0.4
173.04478	1.1
175.07483	0.5
177.05493	0.9
179.27441	0.3
191.05516	1.1
241.13928	0.3
259.02808	2.6
273.04272	0.5
301.03876	0.5
315.05475	0.6
329.14026	0.8
336.64746	0.3
336.95377	0.3
423.07932	0.5
424.08319	2.7
439.10626	83.2
440.10953	10.7
440.17145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83336	1.5
59.01251	8.7
64.15046	1.3
71.01257	2.9
71.57491	2.7
96.95887	9.3
97.91817	1.5
99.56320	1.4
113.02260	1.5
120.01136	100.0
120.04432	2.5
121.01500	1.6
121.05200	2.7
122.06053	7.4
134.06010	11.6
136.03960	24.7
136.07574	54.3
138.05519	3.6
150.05499	2.3
161.02371	4.1
161.07043	2.2
162.05489	1.9
163.03923	4.6
170.02702	2.7
177.10214	2.8
187.11186	2.0
189.01869	14.2
191.05545	9.6
201.07944	1.6
212.10623	8.2
215.09477	2.3
221.04573	2.2
226.07356	2.4
230.11812	16.4
239.08212	3.7
240.09131	8.2
241.09784	1.8
246.09549	3.2
254.09323	1.9
255.11369	80.9
255.15086	2.8
256.11777	8.5
265.03329	1.7
269.11636	2.2
273.12430	54.5
274.12814	5.0
283.13174	5.1
289.10205	4.1
298.15604	26.0
299.10352	12.7
317.11374	7.2
326.82825	1.5
333.09036	5.3
342.14575	26.3
343.14944	3.1
353.01190	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	439.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06231	0.2
59.01248	0.2
68.61883	0.2
69.50935	0.2
70.30137	0.2
70.71655	0.6
71.01242	0.4
78.69343	0.2
78.95771	3.4
79.95609	1.9
96.92090	0.6
96.95889	100.0
96.96797	9.1
97.95840	0.4
142.99741	0.3
221.88271	0.2
263.05859	0.3
299.49680	0.2
299.53046	0.3
439.09009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01595	0.8
67.97937	0.3
71.01254	1.5
73.02816	0.4
78.28674	0.3
78.95786	0.4
85.02824	0.7
87.00780	0.9
89.02378	0.3
93.03338	3.0
96.95916	0.6
97.06475	0.4
99.00767	0.5
101.02373	0.7
111.04426	0.6
115.10540	0.3
119.04909	0.5
133.02911	1.0
134.03673	0.7
135.04460	1.4
137.02361	0.4
141.29056	0.3
145.02925	0.4
154.79295	0.3
161.02419	0.3
173.04472	2.7
177.01913	0.4
179.03468	0.8
191.05637	1.1
201.11252	0.4
209.11838	0.7
229.62753	0.4
242.26501	0.3
333.84329	0.3
335.20755	0.4
348.10150	0.4
377.21664	0.4
437.15216	1.0
437.26242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12466	0.2
59.01245	0.6
70.46294	0.2
71.01237	0.2
83.74982	0.2
85.02817	0.2
91.05399	0.4
93.03332	0.4
96.96835	0.2
97.97438	0.2
107.04892	1.3
108.02069	0.2
113.05986	0.7
117.03347	0.5
133.02850	0.4
134.03636	3.2
135.04411	100.0
136.04739	4.3
178.02638	0.4
179.03415	97.1
180.03757	4.5
191.05540	0.3
206.54091	0.2
209.11877	0.5
323.07742	1.0
341.04926	0.4
341.08762	4.5
342.09106	0.4
437.14481	8.7
438.15024	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	437.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01000	0.2
59.01247	1.2
68.53381	0.2
69.28778	0.2
69.29177	1.7
71.01266	0.3
87.05199	0.2
89.03861	0.3
91.05412	0.5
93.03349	0.3
94.20412	0.2
96.95889	0.4
107.04900	1.1
113.02349	0.2
114.02528	0.2
117.03365	0.5
117.73618	0.2
133.02821	0.4
134.03635	3.8
135.04422	100.0
136.04759	4.5
177.01842	0.5
178.02223	0.4
179.03421	87.6
180.03767	4.5
191.05640	0.2
201.11230	0.2
207.41092	0.2
209.11871	0.2
341.08487	0.2
437.14191	0.9
458.11249	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	437.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44629	0.3
59.01253	5.5
71.01271	0.7
71.57938	0.3
71.58337	0.4
73.02814	0.6
77.75021	0.3
83.04913	0.3
85.02831	0.5
87.00763	0.3
87.04397	0.9
89.02320	0.5
91.52925	0.3
93.03322	0.7
96.95899	1.2
101.02332	1.0
103.03892	0.8
107.04910	1.0
109.02859	0.3
113.02349	0.4
113.05980	0.8
117.03370	0.3
120.99585	0.4
125.29059	0.3
132.02133	0.4
132.04449	0.4
133.02866	0.8
134.03616	2.6
135.04416	90.4
136.04742	3.7
137.02339	0.4
145.53540	0.3
146.06000	1.5
162.00450	0.3
173.04477	1.9
178.02719	0.4
179.03418	100.0
180.03758	4.3
191.05528	0.5
227.08302	0.6
241.09834	0.9
255.11334	1.1
269.13013	0.5
270.13824	0.5
272.69659	0.3
302.12939	0.4
340.08072	0.5
341.08661	1.4
394.21439	0.8
437.14505	8.8
437.20886	0.7
438.14874	0.9
438.20374	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	435.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59594	0.7
57.03327	3.5
59.01251	77.1
60.01587	1.5
60.92062	0.7
61.29112	0.7
63.34437	0.8
69.03329	1.1
70.55103	2.5
71.01245	9.0
72.99189	1.2
73.02462	1.1
73.02808	6.0
74.06699	0.8
77.23012	0.8
83.01284	1.7
83.04848	1.0
85.02826	6.3
87.00761	1.7
87.04397	1.0
89.02322	2.6
93.03333	1.9
96.95900	1.9
97.06500	1.2
99.04403	1.4
101.02332	7.5
111.01842	0.9
113.02336	4.1
125.02295	1.0
131.03406	1.0
133.02850	0.9
135.04433	0.9
137.09633	1.2
139.11182	25.0
149.72899	0.8
155.10635	1.8
164.07108	1.3
167.10689	0.9
173.04509	1.5
181.12276	12.0
182.12648	0.9
183.10193	31.9
184.10579	1.3
191.05521	2.2
199.09755	1.3
199.13338	8.4
213.14938	2.9
217.08604	1.4
225.11279	13.0
231.15858	1.4
243.12349	100.0
244.12701	7.7
257.13977	2.6
261.07617	1.7
285.13434	38.8
286.13876	2.3
295.00076	0.8
315.14407	3.2
345.15515	51.4
346.15854	4.2
375.16455	3.0
375.20483	1.9
393.21350	3.5
435.18298	6.5
435.22510	8.1
435.28827	1.9
436.22739	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	435.2514
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
56.62503	0.6
59.01239	1.2
71.57864	0.8
72.15950	0.7
72.84307	0.5
78.95774	26.7
92.27814	0.5
96.96843	1.7
104.03393	0.8
122.98402	3.5
134.98425	2.7
150.97986	0.6
152.99484	32.6
153.99847	1.1
154.99939	1.3
171.00528	0.9
179.01067	6.3
197.02156	0.7
233.28174	0.6
255.23262	100.0
256.23572	8.2
268.02228	0.6
361.75183	0.7
391.22360	1.9
416.54449	0.6
435.25092	27.4
436.25153	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	435.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.7
58.00478	0.8
59.01250	26.2
66.98312	0.6
69.03328	0.8
70.03013	1.2
70.03426	3.0
71.01252	10.1
72.99201	1.3
73.02809	5.8
81.03358	0.7
82.55721	0.6
83.01270	1.2
83.04905	0.8
84.91850	0.6
85.02831	5.2
87.00764	1.8
87.04392	1.2
89.02316	5.2
92.31734	0.7
93.03352	1.1
93.06745	0.7
95.01226	0.6
96.00083	0.7
96.95895	1.9
97.02876	0.9
99.00765	1.0
101.02319	7.8
108.10077	0.8
113.02335	4.2
119.03396	1.6
125.02328	0.6
125.09589	0.7
133.02780	0.8
134.03664	1.1
135.04422	1.7
135.06555	2.1
135.08026	3.8
137.09612	12.0
143.03403	0.7
155.10681	100.0
156.10994	4.3
161.04480	2.0
169.12195	0.9
173.04449	2.7
178.36096	0.6
179.03331	0.7
181.07123	0.8
181.08569	4.6
188.85277	0.7
191.05505	2.8
199.09682	29.0
200.10077	1.7
215.12836	0.8
217.08563	0.7
231.15932	0.9
243.12352	1.2
245.67661	0.7
253.09132	3.3
261.07666	2.4
273.12738	0.9
299.39792	0.7
317.16074	5.6
335.16693	0.8
375.20029	1.0
377.96460	0.8
393.21448	1.2
435.18582	93.9
435.29630	12.0
436.18961	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	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71458	0.3
57.03331	0.5
58.00480	0.3
59.01250	17.1
60.97398	0.4
63.96121	1.0
65.50671	0.3
68.99667	0.3
69.03332	0.7
69.31465	2.9
71.01244	5.7
71.04884	0.7
72.00781	1.0
72.99193	0.4
73.02814	2.3
73.72393	0.3
74.02346	1.6
76.96880	0.5
79.95607	1.0
81.03333	1.0
83.01241	0.9
85.02817	3.7
86.02352	0.8
87.00760	1.2
89.02312	1.6
89.40088	0.4
93.03338	7.7
94.03662	0.5
95.01273	1.5
96.95895	1.5
98.05991	2.6
99.00781	0.6
99.04382	0.4
99.06318	0.7
100.03932	1.0
101.02319	4.4
102.05499	0.4
104.03462	0.3
108.01258	0.5
108.01492	0.4
108.02052	26.2
109.02837	75.2
110.03172	2.3
113.02343	2.2
119.03394	0.4
121.02857	0.8
123.00780	0.9
123.04418	0.8
126.90132	0.3
135.04558	0.3
136.01566	1.3
137.02339	13.5
138.02754	0.4
139.03889	0.4
142.05003	1.1
147.04457	0.3
147.50513	0.3
151.00270	0.4
151.03937	0.8
152.01060	32.8
153.01839	100.0
154.02193	3.9
157.75740	0.3
159.02975	0.4
159.04500	0.3
161.02386	0.4
161.04440	0.7
163.03958	0.4
164.01151	0.4
164.03784	4.4
165.01845	8.6
165.04099	0.9
166.03398	0.6
172.06085	0.8
173.04532	0.6
179.03412	2.9
180.04195	4.4
181.04547	0.4
181.12236	0.5
183.05757	0.3
183.10197	0.7
191.03752	0.6
191.05533	9.2
194.05782	1.0
195.06558	6.9
199.09708	1.1
206.04877	3.2
207.05130	0.9
209.08125	1.2
210.05304	1.1
214.02637	0.7
217.08652	0.6
225.07651	5.3
227.12825	1.0
228.13110	0.8
243.06621	1.1
243.12334	3.1
244.23372	0.3
261.07648	0.4
281.06662	6.4
287.14911	0.6
315.07193	5.1
316.07468	0.5
357.09735	0.5
361.22342	0.4
365.36780	0.4
370.18631	0.4
371.19019	0.6
372.12204	0.7
375.16733	1.1
387.14377	2.0
391.10245	0.9
417.18179	0.8
434.18472	3.3
435.09305	51.2
435.18256	14.4
436.09631	5.4
436.18634	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	434.2183
Annotation	Tongolenine D
Peak:m/z	Relative Intensity
52.27671	0.4
58.02848	17.9
59.01249	28.6
69.27732	3.9
70.02853	5.3
71.01241	0.7
72.00774	7.0
73.95320	0.4
85.02809	0.4
91.05404	3.6
92.30484	0.4
92.64540	0.4
94.23186	0.3
95.28951	0.4
98.05988	0.5
102.53403	0.4
107.08489	0.4
118.06509	0.7
135.04398	1.4
144.08142	0.5
146.05966	0.5
147.04414	35.0
148.04736	1.8
153.51138	0.4
162.09157	1.0
164.07074	100.0
165.07422	5.0
206.08156	39.0
207.08495	2.4
209.11742	0.8
225.14848	4.0
227.12827	4.5
229.47090	0.4
260.43909	0.4
269.13849	1.0
354.20865	0.8
356.18616	1.6
372.21683	2.0
374.19656	6.5
416.20679	7.7
417.20721	0.7
434.21793	98.9
435.22156	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	435.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04337	0.5
55.17704	0.5
58.05310	0.4
59.01249	11.4
66.03372	0.4
66.80206	0.4
71.01250	1.4
71.56921	0.7
72.99181	0.4
73.02832	0.8
73.27099	0.5
79.95607	2.9
80.01897	0.5
85.02823	2.0
87.00750	0.5
89.02319	0.6
93.03342	0.8
96.95888	100.0
98.95458	0.5
111.04388	0.6
113.02335	0.6
113.92524	0.7
118.89401	0.5
119.04908	0.6
127.45177	0.6
171.10239	0.5
173.04475	1.4
176.07063	0.5
191.05540	12.0
199.09659	0.8
235.07669	0.9
243.04001	0.6
263.07056	0.7
289.02463	1.2
307.06174	1.9
337.09238	0.9
355.01166	0.7
375.16486	0.8
426.67386	0.5
435.05737	0.8
435.13782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41809	0.4
51.71785	0.4
54.57651	0.4
57.03312	1.1
58.02841	1.6
58.20858	0.5
58.99464	0.6
59.01251	35.8
59.98408	0.6
60.01579	0.8
60.97399	2.0
63.96113	6.9
65.77243	0.4
69.03326	0.5
69.37387	2.0
69.37810	2.3
70.02852	0.6
71.01254	4.3
71.04890	3.2
72.00778	9.3
73.02824	2.8
74.02345	14.6
76.96890	5.7
77.00535	0.7
79.95609	6.6
80.96382	0.9
81.03323	0.9
83.01252	1.3
84.04414	4.8
85.02825	3.3
85.94901	0.5
86.00571	1.6
86.02349	10.0
86.03129	0.5
86.98949	1.0
87.00750	1.8
89.02330	1.6
93.03330	5.9
95.01248	1.2
96.04417	1.6
96.95901	1.5
97.02791	0.6
97.06473	0.8
98.05991	26.3
98.19759	1.1
99.00771	1.3
99.06345	0.7
100.00280	0.9
100.03916	8.5
101.02336	3.5
105.56281	0.4
108.02051	15.9
109.02834	60.2
112.03931	4.6
113.02328	2.2
114.01847	1.8
114.98476	0.8
116.03416	1.5
123.04426	0.9
125.02298	0.7
128.01665	0.5
135.04437	0.7
136.01524	1.3
137.02353	7.6
137.09581	0.5
142.04993	13.0
144.02913	0.9
149.01425	1.2
149.09596	0.7
151.00291	1.0
151.03902	0.5
152.01064	13.2
153.01837	69.0
153.09068	0.5
161.04369	0.7
162.05821	1.4
164.03775	44.9
165.01842	4.1
165.04086	0.9
165.76427	0.6
167.10692	1.2
172.06073	5.6
173.04509	1.1
179.03448	2.0
180.04187	2.4
183.10104	0.6
191.02501	6.0
191.05489	5.6
195.06558	2.9
197.57085	0.6
199.09601	1.0
206.04868	25.1
207.05064	0.9
209.08159	0.6
209.11809	1.5
214.02727	0.9
225.07642	1.9
225.14856	2.5
226.10822	0.8
227.12849	9.1
228.13174	0.7
243.06587	0.5
243.12416	1.0
254.13965	0.7
266.17587	1.0
269.13907	1.0
272.06488	1.0
281.06540	3.0
286.16733	0.9
287.15073	1.1
308.18546	0.7
312.18442	0.6
314.16058	0.6
315.07187	2.1
326.19635	3.2
343.16455	0.7
370.18668	6.0
372.18506	1.2
374.16461	5.3
375.15955	1.0
387.14484	0.7
416.17419	6.0
419.16064	3.2
434.18524	100.0
435.09320	18.8
435.18527	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	433.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
69.88936	3.7
71.57253	4.7
165.31293	4.1
172.67737	3.9
242.38734	3.7
255.23288	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	433.2443
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
53.00768	0.3
53.54564	0.4
55.01729	0.9
56.43512	0.4
56.73169	0.3
57.03280	1.4
57.81567	0.4
58.00439	0.8
59.01251	20.1
59.30391	0.4
69.25449	0.6
69.25850	3.7
71.01254	12.3
71.04878	0.5
72.00758	0.8
72.99155	0.8
73.02832	2.2
74.02322	0.9
83.01241	2.3
83.04855	1.1
84.30837	0.4
85.02831	4.6
87.00716	0.7
89.02316	4.8
93.03306	1.3
95.01211	1.0
96.95844	0.5
98.14035	0.4
99.00716	0.6
101.01701	0.6
101.02319	7.2
106.76740	0.4
108.02006	0.8
109.06397	1.0
111.00626	0.4
111.08047	2.5
113.02338	3.8
115.88726	0.4
119.03337	1.1
119.04897	2.3
120.05223	0.9
125.85104	0.4
127.11189	2.4
133.06355	0.4
135.04405	0.6
139.11125	0.6
143.03308	0.6
152.00990	0.6
153.12704	0.8
155.09738	0.4
155.10696	4.0
161.04437	0.5
163.03929	2.6
164.04271	1.1
173.04509	0.4
175.62959	0.4
179.03400	0.7
180.06580	9.3
181.06912	5.4
183.17482	3.4
184.03590	0.5
207.13808	0.9
208.14172	0.9
227.16481	53.1
228.16826	3.3
253.18036	2.9
274.28857	0.4
281.17667	1.0
373.18634	1.1
391.23019	0.5
407.91809	0.4
415.18839	0.7
415.23798	2.6
433.24606	100.0
434.24954	11.3
434.30176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2359
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01247	0.2
59.27201	0.1
62.96294	0.3
69.39863	0.4
69.40298	0.5
78.95775	52.5
96.96839	6.7
150.97925	2.0
152.99489	100.0
153.99829	1.9
160.57361	0.1
162.81580	0.1
171.00555	4.3
237.23193	0.1
279.23257	0.9
433.23575	5.6
434.23837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76049	0.1
59.01247	0.9
62.96272	0.2
65.26699	0.1
65.51379	0.2
70.09792	0.4
70.10209	0.6
78.95776	71.0
84.39479	0.2
96.96840	6.0
142.94368	0.2
145.41087	0.2
150.97945	1.8
152.99489	100.0
153.99841	1.8
171.00563	2.7
174.93295	0.2
244.97467	0.2
265.21799	0.3
279.23264	1.7
280.23447	0.2
313.85355	0.2
356.26157	0.2
433.23523	11.3
434.23782	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
59.01251	100.0
60.01584	1.1
67.29501	0.3
69.71687	0.3
71.01257	4.8
71.57568	0.5
72.99190	0.4
73.02824	1.5
73.60747	0.3
74.02345	0.4
83.01272	0.8
85.02813	2.2
87.00765	0.7
87.04398	0.4
89.02315	2.4
93.03349	0.7
96.95921	0.8
97.06457	0.4
99.00758	0.5
99.04436	0.4
101.02320	3.2
107.01334	0.3
107.04965	0.3
108.02065	0.3
109.02847	0.4
109.06453	0.3
111.04437	0.6
111.08057	0.3
113.02328	2.6
115.00275	0.3
115.12790	0.3
118.97968	0.5
119.03397	0.9
120.99593	0.3
123.04404	0.4
125.02365	0.4
127.03954	0.3
128.03387	0.4
135.04419	0.7
137.02351	0.5
138.05537	0.9
151.00316	1.0
153.05591	0.4
154.04877	0.3
155.10664	0.8
161.04527	1.1
173.04494	1.1
178.99918	0.4
179.05537	0.4
180.06461	0.4
191.05452	1.4
197.11772	0.7
199.03976	0.3
201.11284	0.7
207.04942	0.3
227.03465	0.5
243.03021	1.3
253.09248	0.3
254.02287	0.3
255.02939	3.1
256.03351	0.4
271.02448	7.4
271.15720	0.3
272.02939	0.8
299.02121	0.4
300.02740	15.5
301.03400	4.3
302.04068	0.4
331.17709	0.8
334.16718	0.3
345.22986	0.5
359.20923	0.6
373.14322	0.5
373.18741	0.8
397.22202	0.5
433.07654	7.5
433.20261	1.4
433.25378	2.5
433.29675	0.6
434.08249	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	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41858	0.3
57.03320	0.7
59.01249	100.0
60.01583	0.9
69.96126	1.4
71.01251	5.4
72.99177	0.5
73.02808	2.9
83.01265	0.8
85.02823	2.7
87.00765	0.7
89.02313	3.2
93.03320	0.5
95.01254	0.5
96.95895	0.9
97.06436	0.4
101.02321	4.1
109.02833	0.4
113.02332	2.2
119.03370	1.5
125.02367	0.4
125.06042	0.3
137.02345	0.4
143.03461	0.4
145.66708	0.4
151.03856	0.3
161.04420	1.4
173.04453	0.6
173.13200	0.3
179.05540	0.4
191.05608	1.1
199.09422	0.3
201.11250	0.5
229.08685	0.4
243.12424	0.3
253.14490	0.5
278.31110	0.3
347.20883	1.0
359.20959	0.4
373.18808	0.7
415.23196	0.3
433.15134	0.8
433.20804	3.0
433.25095	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0776
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.81414	0.3
58.53879	0.4
59.01251	14.6
63.02257	0.5
65.00171	0.9
66.14327	0.3
70.25886	0.3
71.01270	0.4
79.02857	0.4
81.34200	0.4
83.01242	0.4
93.15424	0.3
101.02244	0.4
107.01269	1.5
108.02044	1.5
109.02835	0.7
114.27941	0.4
121.02839	1.2
135.00735	0.4
148.01529	1.4
151.00273	5.8
158.03473	0.4
163.00304	1.9
164.01030	1.0
168.98042	0.3
178.99814	3.2
192.00612	0.7
199.03958	0.4
203.03574	0.5
209.30797	0.3
211.03928	1.0
215.03485	0.6
216.04123	0.4
226.02699	1.5
227.03409	3.2
243.02948	10.9
244.03392	1.2
245.04460	0.6
254.02200	1.7
255.02963	25.1
256.03345	1.8
271.02469	55.0
272.02859	4.3
273.03857	0.6
283.02490	1.0
299.02026	1.2
300.02731	100.0
301.03409	24.2
302.00824	0.3
302.03922	1.3
307.60550	0.3
340.76166	0.3
365.46381	0.4
382.55344	0.3
396.60962	0.3
433.07718	56.2
434.08041	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59720	0.3
57.03328	0.5
59.01247	100.0
60.01593	1.4
69.13539	0.3
71.01246	3.6
71.57852	0.4
71.58543	0.3
72.99192	0.4
73.02827	1.2
83.01257	1.0
83.04913	0.4
83.45175	0.4
85.02819	2.3
87.00768	0.8
89.02312	2.7
90.06728	0.3
95.01228	0.5
96.95871	0.7
99.00758	0.8
101.02303	3.2
111.04375	0.3
113.02332	1.3
115.00258	0.3
115.77489	0.3
118.97898	0.4
119.03387	1.3
121.02843	0.5
125.02332	0.4
134.42104	0.3
148.01677	0.3
151.00275	1.3
153.09114	1.0
155.10649	1.4
161.04434	0.5
178.99750	0.9
191.05513	1.1
197.11705	0.7
199.09645	0.6
201.11240	0.4
227.03421	0.5
243.02943	2.2
254.02184	0.4
255.02969	5.2
256.03201	0.5
270.99765	0.6
271.02484	10.7
272.02789	1.1
299.01816	0.6
300.02713	19.7
301.03354	6.0
313.11728	0.4
317.16046	0.4
331.17484	0.5
371.24551	0.4
373.18488	0.7
389.25729	0.4
433.07660	11.2
433.19803	1.2
433.25156	2.3
434.07953	1.3
434.24759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2027
Annotation	1-Hydroxyprotostemonine
Peak:m/z	Relative Intensity
51.46022	0.3
53.70656	0.4
55.84161	0.4
57.03337	1.9
59.01251	12.9
66.50615	0.5
70.80350	0.6
70.80685	0.9
71.01255	0.9
72.00777	7.7
73.02830	0.4
74.02343	5.6
79.95650	0.7
85.02823	0.5
89.02325	0.5
93.03335	7.0
93.03908	0.6
96.95888	0.8
98.06035	0.6
101.02309	0.6
106.04127	0.9
111.08028	0.6
119.04915	17.0
134.05963	0.7
135.04411	0.5
136.07585	0.7
155.10725	0.6
162.05501	0.8
163.03918	22.8
164.04245	1.2
164.07057	0.5
173.04497	0.4
180.06578	100.0
181.06920	3.5
190.21355	0.4
191.05675	0.5
191.10622	0.6
207.13855	7.5
209.11832	0.6
227.16420	2.4
251.12770	0.9
255.79044	0.4
264.16095	0.4
326.21167	0.6
370.20303	3.7
372.18121	9.8
373.18250	0.7
396.18155	0.9
414.19150	6.4
432.20242	71.5
433.19763	7.8
433.24939	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	433.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.7
59.01252	87.3
61.98689	1.2
65.00190	2.4
69.03311	1.2
69.71724	1.1
71.01251	19.6
71.31631	1.2
71.57822	1.6
72.99168	2.4
73.02821	4.4
78.44354	1.0
83.01250	3.8
85.02825	9.6
87.00747	2.6
87.04375	1.1
89.02320	9.5
93.03352	5.8
95.01267	3.5
96.95905	6.8
97.06461	1.5
98.95472	1.0
99.00771	2.3
101.02322	11.7
107.01253	2.0
108.02023	2.5
109.02821	1.7
109.06509	1.3
109.99980	2.1
111.00749	2.7
111.04429	1.3
113.02313	7.5
119.03410	3.7
121.02828	1.3
123.00777	2.3
125.02287	3.0
125.40994	1.1
126.01921	1.2
128.03442	1.2
133.02904	1.5
134.23103	1.3
135.04416	3.0
136.98738	1.4
137.02325	2.9
140.31071	1.2
145.02849	1.2
148.01543	1.3
151.00256	6.8
151.03937	6.4
152.01079	3.1
155.10652	5.1
161.02348	1.5
161.04448	2.4
163.00240	3.0
166.99796	1.7
171.04440	1.2
173.02003	1.2
173.04495	1.7
173.05904	1.1
177.01843	1.4
178.99771	5.5
179.05585	1.3
183.04475	3.1
185.02238	1.1
187.03870	1.9
191.05585	4.3
197.11772	4.8
199.03867	3.0
199.09802	1.8
201.05527	1.9
207.04935	1.7
207.64316	1.1
209.11757	1.4
211.03883	3.2
215.03394	1.8
216.04262	1.5
227.03441	13.1
228.04042	2.0
229.14380	1.8
243.02971	20.1
244.03629	3.3
254.02286	2.5
255.00252	1.7
255.02975	46.7
256.03586	4.8
257.04556	9.6
271.02475	52.5
272.03177	17.9
273.03748	3.1
283.02353	8.5
284.02994	1.7
296.30872	1.2
300.02725	73.2
301.03442	27.4
302.03799	3.0
304.74011	1.3
345.22818	1.4
373.26166	1.3
405.28204	1.1
415.27057	1.2
432.29688	3.7
433.07745	100.0
433.20309	7.5
433.28195	10.4
434.07932	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	432.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.0
59.01245	5.8
71.01245	5.3
71.57240	0.7
73.02828	0.7
83.79711	0.5
85.02831	1.2
89.01812	0.7
89.02316	6.9
96.95870	0.7
97.02818	0.6
99.04421	0.4
100.53592	0.4
101.02331	2.7
107.66849	0.4
113.02341	1.2
119.03333	0.6
120.99506	0.5
123.03149	9.8
123.08051	1.5
124.03517	0.6
125.02359	2.1
131.03423	1.9
138.05504	100.0
139.05836	3.1
149.04475	2.7
149.05969	1.2
180.06544	1.7
187.33823	0.4
191.05511	1.0
207.04976	0.6
211.09702	1.1
233.06375	0.6
293.08792	2.2
364.66083	0.5
432.15106	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	432.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09589	0.3
51.41821	0.3
57.03324	3.4
58.02849	1.6
59.01251	20.0
60.25911	0.3
64.82317	0.3
66.50581	0.3
70.02853	0.4
70.58743	0.3
71.01251	1.0
71.04581	0.5
71.04902	0.6
72.00776	4.6
72.04404	0.8
73.02829	0.4
74.02344	23.8
83.04895	2.1
85.02821	0.6
87.00748	0.3
87.04366	0.4
88.35425	0.3
88.73502	0.3
93.03336	6.1
97.01570	0.5
99.04410	0.4
101.02354	0.6
106.04121	1.2
107.04911	1.0
107.08545	1.0
108.02050	0.6
109.06451	0.3
110.06026	0.4
110.96054	0.3
113.02369	0.4
119.04911	13.5
120.05244	0.4
121.02782	0.3
121.06497	1.4
124.59594	0.3
133.06454	0.5
134.06027	1.7
135.04369	0.4
136.07578	1.4
141.94272	0.3
149.09589	0.4
150.09126	0.4
162.05493	1.7
163.03918	18.3
164.04205	1.0
171.16104	0.3
178.08691	1.1
180.06581	86.1
181.06923	4.3
189.12787	0.8
191.10732	0.9
207.13837	0.6
209.11862	0.4
218.11731	0.4
222.15036	0.4
232.13495	0.6
251.12912	1.6
258.15039	2.6
264.16095	1.8
266.13901	2.2
270.14993	1.7
300.19800	0.9
308.14984	0.5
310.18063	0.5
315.14514	0.4
326.21259	1.2
327.21487	0.3
328.19214	0.8
335.22348	0.3
352.19046	0.3
370.20142	7.1
371.20532	0.9
372.18140	16.4
373.18369	2.5
396.18381	1.1
414.19214	9.2
415.19482	0.9
427.12393	0.4
432.20248	100.0
433.20419	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61703	0.3
55.01758	1.0
56.15549	0.3
56.79855	0.3
57.03327	1.6
58.00483	0.7
59.01249	100.0
60.01590	0.9
69.03335	1.6
69.25727	2.5
71.01253	23.9
72.00801	0.4
72.01595	0.3
72.99178	1.4
73.02819	21.0
74.02362	0.9
75.00757	0.5
79.95618	1.3
80.96396	0.9
81.03345	0.4
83.01256	7.3
85.02822	7.0
87.00766	1.6
87.04375	0.3
89.02311	6.8
93.03342	1.5
93.69381	0.3
94.97955	0.3
95.01282	1.8
96.95913	1.0
97.02850	0.9
99.00233	0.3
99.00734	1.5
99.04382	0.4
101.02319	21.6
102.02679	0.6
110.06069	0.3
111.00779	0.5
111.04388	0.4
111.08076	1.3
112.01569	0.5
113.02326	11.6
114.02713	0.4
117.05465	0.8
119.03391	2.8
119.04945	0.9
125.02355	1.2
125.09585	0.3
131.03412	1.8
133.02885	0.5
134.03650	0.9
135.04436	0.5
136.07591	0.4
143.03378	2.2
143.65237	0.3
148.37051	0.3
149.04486	1.3
150.57990	0.3
151.00256	0.4
153.09122	6.6
155.03409	0.8
155.10670	0.4
159.08148	0.4
161.04475	6.1
161.05827	0.4
163.03949	1.2
164.07109	0.6
165.12846	0.6
173.04475	1.2
179.05630	1.0
180.06581	4.8
181.06932	0.5
181.12299	1.1
191.05521	1.9
191.14319	0.6
203.05643	0.4
209.15410	5.7
209.17183	0.4
210.15762	0.5
210.54855	0.3
227.16559	0.8
244.62996	0.3
257.08701	0.3
287.22272	0.6
315.04752	0.4
344.10263	1.5
344.60251	0.4
371.20584	2.0
372.18060	0.7
389.21765	2.1
413.25806	0.6
414.19351	0.4
431.13062	0.5
431.18539	0.9
431.21262	0.5
431.27356	4.5
432.20172	6.3
432.25906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96411	0.4
53.89782	0.4
59.01249	2.9
69.52293	2.9
69.52701	0.9
78.95776	72.0
82.58856	0.4
84.35094	0.4
96.95901	3.8
96.96842	6.2
98.19801	0.9
107.90184	0.5
112.57612	0.4
150.97957	1.6
152.99489	100.0
153.99849	1.5
171.00549	2.9
241.41344	0.4
277.21750	1.3
371.14850	0.5
431.14020	0.6
431.15201	0.7
431.21948	10.8
432.22537	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.1
56.73703	0.4
57.03325	1.8
58.00468	0.5
59.01249	100.0
60.01587	1.7
64.12260	0.4
67.01740	0.5
69.03330	1.4
71.01254	16.0
72.99185	1.1
73.02820	5.5
75.00740	0.8
79.95622	0.4
80.96394	0.5
81.03332	0.7
83.01273	2.5
83.04906	0.7
85.02815	6.3
86.71950	0.4
86.76164	0.4
87.00771	1.7
89.02322	7.5
93.03323	3.5
95.01272	1.4
96.95876	4.1
97.02837	1.1
97.06488	0.5
97.41961	0.4
99.00775	1.5
99.04414	0.5
101.02322	12.1
107.01270	0.5
110.18492	0.5
111.04405	1.0
111.08106	0.6
113.02333	9.6
115.05444	0.6
119.03412	2.8
119.04935	0.4
125.02339	1.2
128.03458	0.5
131.03383	0.7
135.00789	0.6
143.03433	1.6
145.60899	0.5
149.04425	0.6
151.00275	0.7
155.03426	0.9
161.04471	3.5
162.04753	0.5
166.02628	5.0
167.03424	2.0
171.04471	1.4
171.10214	0.9
172.05190	1.3
173.04460	6.8
173.05780	0.5
179.05518	0.6
184.05234	1.0
187.07607	1.2
187.11226	0.6
189.05566	0.5
191.05539	5.0
195.10216	0.5
198.06874	0.5
201.09248	0.6
201.11345	1.6
209.11832	0.4
213.09119	5.4
225.54469	0.4
227.16458	0.8
231.10214	17.0
232.10611	1.0
257.08160	29.0
258.08530	3.5
265.09915	0.4
295.11234	0.5
308.88821	0.4
313.20279	1.6
343.12802	0.8
357.19330	1.4
371.09909	2.3
371.20761	7.4
372.21210	0.7
389.21863	10.3
389.26627	0.6
390.22214	0.9
395.21005	0.6
413.22009	0.8
431.13803	0.8
431.23230	8.3
432.23615	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	431.2199
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
56.03199	0.1
59.01246	0.7
60.50913	0.2
62.96281	0.3
69.25124	0.1
71.13269	0.3
78.95775	54.9
96.96840	6.5
107.13015	0.2
150.97926	1.8
152.99487	100.0
153.99802	1.4
159.22369	0.2
171.00560	4.8
178.37688	0.2
179.05325	0.2
231.66092	0.2
277.21729	0.5
304.92154	0.2
361.99658	0.2
431.22009	4.1
431.31485	0.3
432.22394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
54.46160	0.1
57.38829	0.2
57.50370	0.2
59.01244	0.7
62.96268	0.2
70.14702	0.8
78.95773	50.4
96.96835	6.2
110.20178	0.2
150.97914	1.4
152.99483	100.0
153.99847	1.5
171.00546	4.3
277.21750	0.8
302.01379	0.2
316.61981	0.2
431.21921	4.8
432.22388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	70.9
59.01252	13.9
69.03327	3.3
69.67149	4.0
69.73096	0.6
71.01247	6.4
73.02802	2.2
79.36425	0.5
81.03336	0.7
83.01270	1.5
85.02835	3.1
88.51309	0.6
89.02333	1.9
91.30724	0.6
95.01273	1.3
96.95900	0.9
97.02828	14.6
98.20501	0.9
99.00769	0.8
99.04395	46.7
100.04739	1.4
101.02322	16.0
101.88081	0.6
109.92242	0.6
113.02325	3.1
123.04411	0.6
125.02339	100.0
126.02653	3.4
128.03448	0.7
143.03468	1.5
161.04475	4.9
167.03291	0.6
179.03415	0.8
191.05563	1.6
199.22662	0.6
203.05502	1.2
209.08040	1.2
243.08710	1.4
329.08804	1.1
333.72073	0.6
389.14404	1.2
431.11905	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	431.1193
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
56.92173	0.9
57.03323	80.0
58.03671	1.8
59.01249	11.6
69.03318	3.8
69.41207	4.6
69.41611	1.8
69.77788	0.7
71.01254	5.2
73.02802	2.1
81.03333	1.4
85.02831	2.6
95.01276	1.7
97.02827	17.3
99.00742	1.2
99.04395	45.4
100.04716	1.5
101.02313	12.7
101.24168	0.8
106.50930	0.7
113.02333	2.8
125.02332	100.0
126.02644	1.9
138.05554	0.9
151.07858	0.8
161.04480	3.7
182.72203	0.7
186.32530	0.7
200.02313	0.7
228.85341	0.8
329.08841	1.4
334.81592	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	430.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.4
58.02860	0.6
59.01251	49.1
60.01581	1.1
69.03341	1.0
69.52264	2.9
69.52685	1.7
71.01251	11.3
71.04898	1.0
72.00787	7.4
73.02820	4.4
74.02347	3.5
80.96387	0.7
81.03329	1.1
83.01264	1.4
83.04905	1.4
85.02831	5.2
87.00762	4.7
89.02322	3.4
93.03332	10.0
95.01271	0.9
95.04898	0.8
96.95883	2.0
97.06474	1.9
99.00789	1.5
101.02319	6.5
102.02653	0.8
106.04104	1.0
107.04947	3.0
108.08089	0.6
111.04414	1.8
113.02325	5.7
113.93832	0.6
115.07525	1.3
116.07046	0.6
118.97981	1.7
119.03459	1.3
119.04914	15.7
120.05717	0.7
121.06501	1.2
127.07566	1.1
133.05219	1.3
134.03650	0.9
134.06018	5.9
135.02873	0.8
135.04416	2.2
135.11674	1.0
136.07579	0.9
136.12021	0.8
148.03922	0.7
151.00345	0.8
153.09149	0.7
156.10216	2.3
158.11772	3.3
159.08112	1.1
160.03975	2.1
161.04510	2.1
161.09628	5.8
161.13281	2.1
162.09976	0.8
163.03925	21.1
164.04219	1.4
165.12781	0.9
173.04459	2.1
179.03319	0.6
179.10732	1.0
180.06593	100.0
181.06952	4.2
181.12248	1.0
182.12651	1.1
187.11215	7.8
188.11554	0.6
189.07695	0.7
189.09120	4.0
189.12816	0.7
191.05621	3.4
205.12288	2.4
209.11794	0.9
222.07501	0.7
223.08182	1.1
224.08476	1.6
224.13693	0.7
225.11159	0.8
226.11325	0.6
234.54974	0.6
249.11267	4.2
267.12357	3.0
268.13120	0.9
269.13928	4.0
312.18188	2.8
342.17020	6.5
368.18613	7.7
369.18909	1.5
370.16287	6.9
371.16525	1.0
371.20712	1.4
388.20633	1.9
389.21768	1.4
399.11795	0.9
412.17575	2.0
430.18643	53.1
430.28250	2.3
431.18033	6.2
431.27130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1869
Annotation	Oxyprotostemonine
Peak:m/z	Relative Intensity
57.03319	1.2
58.02848	8.6
59.01250	17.8
70.02861	0.9
71.01253	2.9
71.58781	1.1
72.00780	4.8
73.02824	1.2
74.02349	8.1
83.01241	1.3
83.04908	1.1
85.02828	1.0
87.00743	1.6
90.40062	0.6
93.03340	6.6
94.94630	0.7
96.95902	2.1
97.06480	0.7
101.02311	1.1
104.91255	0.6
106.04121	1.2
107.04887	6.6
108.02075	0.6
113.02301	0.8
115.64854	0.7
116.03363	1.0
119.04915	13.9
133.02861	1.0
133.05211	1.6
134.06018	2.3
135.04414	1.7
136.07578	1.2
161.09604	1.4
161.13292	1.6
163.03909	17.9
173.04529	1.7
178.08641	5.2
180.06581	100.0
181.06932	4.2
187.11208	2.2
189.09123	0.9
191.05515	2.5
205.12364	1.2
222.07654	26.4
223.08012	2.3
249.11362	1.5
257.08237	0.8
280.15463	0.9
342.17227	2.0
368.18597	3.6
370.16595	2.5
386.19711	23.6
387.20193	2.2
412.17722	1.1
430.18631	22.5
430.24634	1.4
431.18652	2.9
431.26816	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	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
59.79915	0.6
60.01597	1.0
62.10832	0.6
62.12655	0.6
63.18023	0.5
70.43990	0.8
70.44344	2.1
71.01232	0.8
78.95772	0.7
87.18726	0.6
89.02327	0.7
91.03907	2.1
97.59046	0.6
98.19870	0.8
140.86435	0.6
152.99493	1.1
176.10504	0.6
201.50420	0.6
275.25006	0.6
277.21796	0.8
295.22842	11.8
295.25958	0.9
296.23221	1.3
419.34680	0.7
421.94748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.07705	1.2
69.45217	4.5
69.45641	3.8
71.01266	1.5
73.14864	1.0
74.49544	1.1
85.06262	1.0
91.03923	1.6
124.39465	1.1
131.14510	1.0
136.03595	1.0
137.25143	1.2
295.22842	7.8
296.15222	1.0
296.23233	1.3
447.98022	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
56.60682	0.3
57.03324	1.2
58.00464	0.6
59.01252	100.0
60.01595	0.9
69.03345	0.4
69.38560	2.2
69.38970	0.9
71.01254	14.3
72.99190	0.7
73.02820	4.5
83.01260	1.6
85.02821	5.6
85.03285	0.5
87.00764	1.5
89.02321	11.0
90.50719	0.4
93.03316	0.4
95.01284	1.4
96.95889	0.8
98.20549	0.7
99.00781	1.2
101.02328	9.3
107.04929	0.4
108.15514	0.3
111.00778	0.4
113.02330	8.2
113.57650	0.3
119.03526	4.1
119.04917	28.1
121.06480	0.6
122.02396	0.3
131.03423	0.5
133.65157	0.4
137.09656	0.5
143.03432	1.3
148.03987	0.3
149.04510	0.5
159.02892	0.4
161.04478	3.3
161.09653	0.8
161.13295	0.8
163.03922	19.7
163.11180	0.7
173.04594	0.5
179.05495	1.6
187.11235	1.5
189.12810	0.5
191.05589	0.7
205.12331	0.5
207.13864	0.4
223.13351	5.3
225.14986	2.2
242.91068	0.3
249.11194	0.5
267.12366	2.8
291.12668	0.4
307.10855	0.4
324.57117	0.3
355.13214	0.6
369.15405	1.6
369.19324	7.1
387.20200	10.3
388.20657	1.3
429.21222	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	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82936	0.4
55.01756	0.5
55.98099	0.3
57.03321	0.6
59.01251	100.0
60.01584	1.2
68.38074	0.3
69.34130	1.1
69.34555	2.6
71.01252	11.9
71.03835	0.3
72.99188	0.8
73.02831	1.1
74.02370	0.6
79.95610	0.6
83.01273	0.6
85.02820	2.8
87.00772	1.1
89.02319	16.7
93.03328	0.6
95.01282	0.9
96.95883	11.3
101.02322	7.4
104.55583	0.4
107.04961	0.6
113.02335	5.0
119.03394	6.4
119.04841	1.9
125.02382	0.4
131.03410	0.8
137.09641	2.3
143.03430	1.4
145.47862	0.4
149.04453	0.6
151.00342	0.3
156.14229	0.3
161.04431	2.2
161.09654	1.2
161.13319	0.4
163.03931	1.2
166.12102	0.4
168.00598	0.9
168.14003	0.5
179.05508	3.6
180.06618	7.3
184.13313	0.3
186.15085	0.5
187.11208	1.2
205.12421	0.5
206.99374	0.4
210.09415	0.4
223.13348	6.2
223.15361	0.6
224.13783	0.5
244.15564	0.4
249.11375	0.5
267.12390	6.0
306.20779	1.1
309.13449	1.0
339.14670	0.7
350.19653	6.9
369.15234	1.9
429.06458	0.5
429.21552	1.6
430.15430	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	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47608	0.2
59.02838	0.2
60.80814	0.2
69.99644	1.2
71.03645	0.3
86.41921	0.3
98.20440	0.3
99.92452	5.0
100.93235	2.7
107.20135	0.3
115.91960	100.0
116.91964	5.5
116.92751	6.3
117.92781	0.3
121.89395	0.3
132.92233	1.0
142.94237	0.2
147.20209	0.3
155.95120	0.3
172.95386	5.9
173.95448	0.5
255.23125	0.6
266.32333	0.3
355.15710	0.5
361.37479	0.3
371.15268	0.5
377.55777	0.2
381.17355	0.8
429.19504	4.7
430.19611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2031
Annotation	Cinegalline
Peak:m/z	Relative Intensity
51.89314	0.3
53.83412	0.4
55.01777	0.4
57.03326	10.1
58.39677	0.4
59.01250	14.6
63.28212	0.4
71.01228	0.9
71.04897	0.4
72.00777	1.1
72.04418	2.4
72.99174	0.4
74.02345	55.9
75.02697	0.7
83.04894	0.8
84.04439	0.6
85.02831	0.6
86.05987	3.8
87.00787	0.5
90.99529	0.3
92.49873	0.3
96.95896	0.8
97.06491	0.9
99.04401	0.7
101.02323	0.6
108.04423	0.4
109.06457	0.8
110.02373	0.9
116.04947	21.5
117.05268	1.2
120.99551	1.6
124.07581	1.0
126.09164	2.3
130.06534	1.1
133.06499	0.4
138.09125	0.9
139.11131	0.7
142.06528	4.2
154.12297	0.6
157.07657	0.6
159.09178	3.0
163.11192	0.4
164.06999	0.4
164.10684	0.8
178.12285	1.3
181.12270	0.7
182.08234	0.6
183.10266	0.5
185.07085	0.6
186.05548	1.4
192.13860	0.4
195.49146	0.4
196.13358	1.0
203.08194	19.9
204.08563	1.6
215.11688	0.7
220.13391	3.7
222.11311	3.3
225.11295	1.0
229.17917	0.4
238.14436	11.4
239.14777	1.0
240.12387	28.3
241.12723	1.4
243.12177	0.4
245.85229	0.4
255.15074	1.3
264.12378	0.7
267.15015	2.8
282.13443	0.8
297.19830	0.4
300.14465	1.2
307.18048	0.5
323.21268	1.1
325.19217	2.1
367.20236	10.0
368.20560	1.0
369.18188	41.2
370.18475	4.8
393.18289	2.5
394.18460	0.5
411.19232	17.9
412.19568	2.0
429.20270	100.0
430.20636	14.7
448.00409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17297	0.7
55.01727	1.0
55.98713	0.8
57.03321	3.0
58.00459	1.3
58.96438	0.6
59.01250	100.0
60.01601	1.0
60.80494	0.6
69.03336	0.8
70.71586	1.9
71.01252	14.3
71.04895	1.3
72.99201	1.0
73.02816	3.6
75.48916	0.7
79.05404	1.1
83.01263	2.0
83.04897	1.7
85.02821	5.2
87.00751	8.1
89.02319	8.5
93.03337	1.7
95.01293	1.4
96.95903	3.7
97.06477	2.3
99.00809	0.6
99.04439	0.7
101.02325	10.3
107.04911	5.6
109.06463	1.0
111.08083	0.8
113.02328	5.8
114.60477	0.7
119.03404	3.0
119.04919	0.9
120.05709	1.9
120.99554	0.8
121.06538	0.8
131.03391	0.9
135.04401	4.0
143.03432	0.7
147.08017	1.0
147.11659	0.8
151.00270	0.9
152.04729	0.9
153.05455	0.6
155.03461	0.8
157.06564	0.8
159.08008	1.1
159.11728	1.5
161.04497	2.1
161.09619	11.7
161.13277	4.4
162.13701	1.0
163.04056	1.1
163.11241	1.8
173.04541	1.7
178.99889	1.5
179.05489	1.1
180.06628	1.4
185.13336	2.9
187.11215	15.9
188.11581	1.2
189.09161	6.7
191.05545	1.8
203.10675	4.1
205.12230	6.3
207.10187	2.0
217.01514	1.3
223.13347	67.2
224.13663	4.5
229.12318	6.2
231.10393	1.4
245.00890	0.9
247.13550	0.7
249.11308	3.7
261.23325	0.9
267.12372	39.3
268.12790	2.8
277.03467	0.8
281.05765	0.7
291.12405	4.9
309.13416	7.5
310.13626	0.9
339.14453	6.5
340.15256	0.8
369.15482	33.9
370.15891	3.5
387.20447	1.2
429.17740	9.2
429.22290	2.6
430.17776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.9
57.03321	3.3
58.00472	1.3
59.01251	100.0
60.01588	1.0
67.01750	1.3
69.03329	3.1
71.01252	27.7
71.04886	1.4
71.58697	1.1
72.99180	2.5
73.02814	11.2
75.00767	1.1
81.03337	1.4
83.01246	12.0
83.04884	1.7
85.02834	8.1
87.00737	7.7
89.02309	11.1
93.03326	4.8
95.01261	2.6
96.95908	6.9
97.06462	1.4
99.00770	1.4
99.04404	1.5
99.18719	1.0
101.02325	16.4
105.01833	1.3
107.04930	2.0
109.02842	1.7
109.06459	1.2
111.04414	1.3
111.07990	2.2
113.02337	12.6
119.03407	4.7
126.26395	1.0
133.02829	3.0
133.06432	0.9
134.03606	1.1
135.04440	6.5
142.27702	0.9
143.03423	1.9
149.06029	1.4
151.00203	1.5
152.04630	1.1
153.01828	1.0
159.25220	0.9
161.04465	3.2
161.09607	6.3
161.13274	4.3
163.03911	1.2
163.11290	2.2
171.93080	1.0
173.03117	0.9
173.04436	5.5
177.01729	1.5
178.99782	1.4
179.03444	2.0
179.10600	1.2
180.06560	3.8
181.12334	1.8
185.13223	1.5
187.11208	9.5
189.09151	4.3
191.05534	6.5
198.11328	1.2
203.10716	1.9
205.12271	4.0
207.13905	4.9
212.03659	1.0
223.13362	56.4
223.15598	2.7
224.13618	4.1
225.11232	2.7
229.12296	4.6
249.11336	2.5
249.15039	1.1
265.14331	1.6
267.12360	36.3
268.12527	2.2
291.12390	1.5
300.02246	1.4
309.13522	6.6
321.13489	1.9
339.14435	7.0
369.15485	11.3
370.15750	1.3
387.20227	2.6
403.63748	1.1
429.16830	3.8
429.21838	18.8
430.17548	1.4
430.22488	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76817	0.6
55.01754	0.9
57.03315	1.5
58.00470	0.9
59.01249	100.0
60.01588	0.9
60.54896	0.6
62.54253	0.6
63.43256	0.5
69.73766	1.8
69.74179	1.6
70.69441	0.5
71.01256	16.0
71.04871	1.0
72.99188	1.6
73.02811	5.4
82.00230	0.5
83.01265	2.4
83.04885	1.2
85.02822	4.8
87.00755	5.2
89.02319	9.1
93.03355	1.4
95.01279	1.1
95.04954	0.8
96.95900	3.1
97.06482	1.3
98.55593	0.6
99.04358	0.6
101.02322	11.6
107.04917	2.4
108.34747	0.6
109.06493	0.7
113.02328	5.6
119.03378	3.6
120.05699	1.5
121.06472	4.7
125.02374	0.9
131.03430	0.6
135.04446	3.6
135.08139	0.9
137.09624	0.8
143.03421	1.2
151.00348	0.7
152.04688	0.9
159.11699	1.2
161.04454	3.8
161.09621	6.1
161.13263	3.9
163.11234	1.2
173.04527	1.3
173.13347	0.6
179.05597	1.3
184.54578	0.6
185.13319	1.6
187.11212	11.9
189.09146	4.2
191.05598	2.1
203.10756	2.1
205.12256	4.7
206.12721	0.8
207.10216	1.0
223.13344	43.2
224.13730	2.3
225.14990	0.7
229.12325	3.9
249.11259	3.9
259.13266	1.0
267.12366	31.3
268.12643	2.9
291.12354	4.0
309.13324	4.8
310.13821	0.6
339.14487	4.7
369.15488	20.7
370.16022	2.0
387.20276	5.9
429.17102	7.2
429.30267	1.8
430.17764	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02071	0.8
57.55901	1.0
59.01249	100.0
60.01600	1.1
61.98696	0.9
67.69012	0.8
71.12843	1.8
83.79947	0.8
87.54562	0.8
142.00360	0.8
154.41521	0.9
170.47525	1.0
172.89938	1.0
293.21133	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	427.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83209	16.0
59.01236	100.0
65.58559	17.1
71.57304	34.4
85.02839	15.4
96.95873	20.5
113.61748	16.6
139.37988	16.4
171.10210	22.6
197.11810	35.5
198.29907	16.5
209.92084	17.4
235.99780	19.0
290.97025	21.5
291.19754	28.6
309.20792	36.1
325.60040	21.0
341.32330	17.8
343.07727	17.0
427.27243	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	429.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42733	0.4
57.03333	0.4
58.02853	1.2
59.01251	41.9
69.33051	0.4
71.01248	1.9
71.04914	0.6
71.11792	1.0
71.83122	0.4
73.02818	0.8
74.02347	0.8
83.01272	0.6
83.04914	0.5
85.02818	1.1
87.00771	0.5
87.04359	0.4
93.03314	0.6
96.95905	1.3
101.02341	1.0
106.06506	5.2
107.04901	0.5
113.02342	0.8
119.04900	2.0
120.99546	0.4
122.06013	3.3
130.02847	1.0
131.03658	1.8
132.04465	3.6
133.04890	0.4
134.06015	55.1
135.04353	0.6
135.06340	2.4
140.34131	0.4
144.04474	1.0
146.06029	1.6
148.03961	1.1
148.07646	0.5
152.07098	1.4
158.02399	3.5
158.05974	0.5
159.02690	0.5
160.03941	1.1
162.05577	2.2
163.03909	1.4
172.03972	0.6
173.04520	0.6
173.07181	0.5
174.05479	0.5
176.03432	0.8
180.06599	7.6
190.05020	17.9
191.05489	1.7
192.06627	0.4
194.08179	1.4
202.05035	2.9
203.05792	0.8
203.08192	0.4
204.06706	0.4
206.08257	0.5
211.02989	0.4
211.13414	0.5
216.06592	1.4
219.05313	0.5
221.07204	0.4
221.10860	0.6
222.07658	18.5
223.08060	0.9
225.14929	1.7
234.07678	10.9
234.09885	0.7
235.08569	1.8
248.09235	0.8
249.10225	3.1
250.11105	0.7
251.08234	0.5
251.11919	1.3
261.06747	0.8
262.07660	0.7
263.08157	1.1
267.11374	0.7
277.09781	3.3
278.10501	1.0
279.08035	0.8
279.11371	1.4
281.09528	0.5
281.12988	0.7
285.03946	0.4
293.09235	1.3
295.10931	0.7
305.09366	2.1
306.09677	0.5
307.07153	0.7
309.12421	8.2
310.12817	0.7
321.08722	0.6
322.09766	0.6
323.10382	1.6
337.11935	12.9
338.12460	1.3
341.14661	1.9
350.59235	0.5
369.14548	100.0
370.14871	9.5
386.19684	1.0
387.15430	2.8
387.19730	0.4
429.16309	11.5
429.25552	1.3
430.17029	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	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69593	0.9
59.01250	100.0
59.36333	1.1
60.01577	1.1
61.98703	1.4
63.84264	0.9
69.28269	6.6
69.28676	3.2
89.92455	1.1
90.93233	1.2
96.95879	1.3
155.94849	1.0
184.46204	1.2
203.88208	1.0
235.17000	3.9
236.17097	1.0
244.95496	1.0
248.79546	0.9
275.20111	6.5
290.97018	1.1
293.21274	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03370	0.9
57.02058	0.9
59.01249	100.0
60.01596	1.0
61.98689	1.2
66.08356	0.9
68.96263	1.0
71.66067	1.0
90.93254	1.3
91.03861	2.3
138.91895	1.0
145.29970	1.0
169.23497	1.1
204.31287	1.0
275.20151	1.3
293.21234	9.6
311.22400	1.3
344.84402	1.2
367.15686	2.7
427.28485	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28108	0.4
55.01758	1.2
57.03328	3.6
58.00465	1.1
59.01249	100.0
59.50903	0.3
60.01587	0.9
61.01082	0.3
63.77301	0.3
69.03339	1.3
69.43305	0.3
70.91968	0.4
70.92308	0.8
71.01253	25.0
72.99197	0.9
73.02817	25.6
75.00768	0.6
81.03323	0.7
83.01250	7.2
83.04895	0.5
85.02822	5.2
85.03294	0.6
85.49350	0.3
85.99977	0.4
87.00747	4.4
87.04406	0.6
89.02322	9.2
95.01269	1.2
96.95879	1.8
97.02850	1.0
99.00774	0.9
99.04410	1.4
101.02323	22.7
101.99534	0.5
102.02674	0.4
103.23717	0.4
107.04958	0.5
111.00782	0.7
111.08010	0.5
111.61145	0.4
113.02331	9.0
117.48026	0.4
118.38433	0.4
119.03375	4.2
119.70901	0.4
123.04409	0.6
125.02347	1.7
129.01837	0.4
131.03439	1.2
135.04401	0.5
137.09619	0.8
143.03433	1.5
147.08112	0.4
149.04486	1.3
149.09680	0.5
153.09090	0.8
155.03448	0.8
159.08076	0.4
161.04486	4.3
161.09566	2.1
163.11203	3.2
171.08054	0.8
173.04474	0.4
175.07602	0.6
175.11148	0.5
176.08397	1.6
177.12759	0.5
179.05573	1.6
179.10674	0.4
181.12257	5.6
187.11201	11.8
188.11546	0.8
189.09160	1.6
189.12793	1.3
190.09875	3.5
203.10796	0.9
204.11435	2.8
205.12274	16.4
206.12691	1.2
215.10802	1.5
223.09721	0.5
223.13359	0.8
233.11818	8.0
234.12181	0.6
247.13451	0.8
259.13446	2.7
277.14453	3.3
360.87808	0.4
367.17822	0.8
427.19901	1.3
428.23145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18592	0.5
55.01751	1.4
57.03317	1.8
59.01251	100.0
60.01584	1.2
64.80771	0.5
71.01255	16.4
73.02813	6.9
75.46884	0.5
83.01264	3.6
85.02824	7.5
87.00769	1.2
89.02317	6.4
95.01267	1.2
96.95930	0.8
97.02866	0.6
98.20638	1.1
99.00764	1.5
101.02321	11.9
101.84889	0.5
109.92159	0.5
111.32388	0.5
113.02329	9.7
119.03427	1.8
123.07995	0.7
126.80122	0.5
129.13361	0.5
135.04457	1.6
135.08070	0.8
143.03436	1.1
151.07530	0.7
153.09171	1.6
161.04503	3.8
173.04559	0.6
179.03505	1.5
179.05490	0.6
179.10834	0.6
191.05714	0.9
195.13826	3.8
205.12424	1.5
207.10301	0.6
223.13336	5.6
228.13298	0.5
229.93729	0.5
229.95944	0.6
232.96390	0.6
245.30850	0.5
339.18091	0.7
357.19379	0.9
367.17621	15.0
368.18094	2.1
385.18704	17.6
386.18939	1.6
427.19745	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	427.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15857	0.5
57.03317	2.9
58.00469	0.6
59.01250	100.0
60.01584	1.1
69.03327	1.7
69.29391	0.4
69.33540	1.7
69.33971	2.9
71.01254	13.4
72.61180	0.5
72.99171	0.6
73.02817	8.3
73.03194	0.8
78.06293	0.4
83.01258	2.9
83.04874	0.4
85.02823	4.5
87.00762	1.3
89.02338	2.2
95.01315	0.8
96.95858	0.7
97.02834	0.6
98.20699	0.7
99.00770	1.0
101.02318	7.8
107.04916	0.6
111.08067	1.4
113.02341	4.1
115.80231	0.4
119.03386	0.9
125.02380	0.5
137.09613	0.8
148.05269	0.7
151.11218	0.6
159.19044	0.4
161.04462	1.3
161.09680	0.6
163.11203	11.2
163.12476	0.8
163.34331	0.5
165.09189	1.6
171.08080	1.0
172.90746	0.4
181.12267	22.9
182.12555	1.2
187.11186	3.5
189.12808	3.9
190.09911	4.6
204.11552	0.9
205.12277	6.5
206.12714	0.6
223.13437	1.8
223.94020	0.5
229.12317	0.9
247.13458	0.9
255.02895	0.7
284.03107	0.9
285.04193	0.9
367.17743	0.6
427.06668	0.8
427.19427	0.6
449.06781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
57.03314	1.6
59.01250	100.0
60.01587	1.2
64.07352	0.7
70.59684	2.5
71.01253	23.8
73.02821	23.5
80.96394	0.9
81.03333	0.9
83.01258	6.4
85.02831	5.5
87.00776	1.2
89.02316	5.8
95.01258	1.0
96.95890	0.9
97.02824	2.0
99.00806	0.9
99.59718	0.8
101.02321	22.6
101.80777	0.7
110.39068	0.8
113.02331	10.3
119.03374	2.7
123.08013	1.0
125.02361	1.1
131.03395	1.7
135.04448	1.4
138.06760	4.9
139.07501	1.4
143.03331	1.7
148.88203	0.9
149.04445	1.3
151.07544	5.0
152.08342	13.8
153.09114	34.2
154.09547	1.7
161.04448	6.2
165.09161	1.9
179.03532	0.9
187.11174	1.1
191.05481	1.1
205.12271	16.1
206.12645	1.2
223.13319	4.3
223.68597	0.8
276.78027	0.8
367.17603	4.4
385.18622	1.4
427.12906	2.1
427.19559	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	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
56.72005	0.4
57.03331	2.5
58.00486	0.6
59.01249	100.0
60.01582	0.9
69.03330	1.6
70.98176	1.0
71.01255	14.8
72.99207	0.6
73.02816	9.0
83.01257	3.1
83.04902	0.5
85.02821	4.6
87.00755	2.2
89.02325	3.6
93.03333	0.6
95.01268	1.0
95.04932	0.5
95.95145	0.5
96.95877	2.1
97.02831	0.8
99.00770	1.7
101.02327	9.1
102.71784	0.5
107.04895	1.0
111.08079	0.8
113.02332	5.6
119.03389	1.4
123.07988	0.5
125.02374	0.6
131.03438	0.6
135.04378	0.8
137.50607	0.4
151.11206	2.0
153.09137	2.0
159.02878	0.5
161.04492	1.6
161.09636	1.3
163.11189	10.4
165.09154	1.4
171.08095	1.0
173.04587	0.5
179.10677	4.8
181.12253	21.8
182.12634	1.5
187.11250	3.1
189.12766	3.5
190.07341	0.5
190.09933	4.5
191.05592	0.8
204.11632	1.1
205.12277	7.0
206.12683	0.6
208.11008	1.0
209.11766	2.4
223.13327	6.3
227.12767	0.5
227.18259	0.5
229.12395	0.8
247.13452	1.0
267.07254	1.3
360.54001	0.5
367.17752	1.3
397.11914	0.4
427.17984	0.6
441.87714	0.5
442.39783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01574	1.0
64.75993	0.7
69.27180	4.5
69.27612	2.4
71.01253	11.4
72.99177	1.8
89.92439	0.9
90.93243	1.5
92.92705	1.1
96.95930	0.8
102.52185	0.6
106.92718	0.7
111.23428	0.8
115.00268	3.1
133.01357	2.0
134.15971	0.7
139.11235	1.3
167.10674	0.7
185.11844	0.7
209.11853	0.9
213.11296	0.8
289.17984	1.2
291.19705	6.9
307.19250	1.0
309.20682	34.0
310.21063	3.6
323.38748	0.9
365.14075	1.1
430.50757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01618	1.4
61.98683	2.2
62.61685	1.2
71.01255	1.8
89.92477	2.3
90.93228	5.8
92.92691	1.4
106.92724	1.7
130.99440	1.1
134.49275	1.3
189.58789	1.2
267.05667	1.5
291.19647	3.8
309.20645	3.0
322.59488	1.2
327.07547	3.2
328.04718	1.4
328.84952	1.4
363.71667	1.2
365.13950	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	425.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.9
59.01250	100.0
60.01579	1.3
62.04392	0.7
69.03315	0.7
69.71541	3.8
71.01253	4.7
72.62106	0.7
72.99192	1.0
73.02820	1.0
78.95775	1.2
79.95578	1.5
81.03349	0.8
82.62256	0.7
83.01267	1.4
83.04927	0.7
85.02842	2.6
89.02311	3.9
93.03323	1.6
96.95889	36.3
99.04409	1.0
101.02343	2.8
109.02840	1.0
109.06450	1.0
111.00799	0.9
113.02357	2.4
119.04901	5.7
121.02888	0.9
128.03447	1.6
135.04462	1.9
137.02354	1.3
155.08533	0.8
156.55952	0.8
157.10204	1.5
163.03946	6.4
163.11191	0.9
173.04474	1.5
175.11220	1.5
183.08057	1.0
191.05464	3.6
193.05124	1.1
198.49202	0.7
201.09157	1.3
219.10214	0.9
221.11813	1.4
225.11290	1.1
227.12836	0.9
245.08232	2.6
365.16040	0.8
425.05447	8.3
425.18274	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	425.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47124	3.1
57.03329	6.3
59.01249	41.5
71.01265	13.2
71.57099	2.5
72.00781	26.5
73.02814	5.6
85.02806	7.6
89.94374	2.7
90.10622	2.8
93.03347	3.5
96.00797	2.7
96.95899	10.7
100.00282	79.5
100.03938	6.2
101.02324	7.5
109.05790	2.5
109.06460	16.3
113.02323	3.7
136.05203	11.5
144.02927	100.0
151.07585	22.4
155.06166	2.4
163.07553	25.0
179.10709	3.1
191.05565	15.5
221.11755	17.4
232.00894	3.1
260.00143	2.8
276.89474	2.6
279.25073	3.1
365.18185	4.1
425.16089	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
77.62078	0.3
78.95773	11.6
104.36263	0.3
104.97355	0.5
110.98415	9.9
115.84682	0.3
118.75520	0.3
123.20152	0.3
136.24129	0.3
136.99925	0.4
152.99464	0.5
154.57414	0.3
167.01059	11.2
185.02124	2.4
204.73813	0.3
255.23267	100.0
256.23593	8.1
423.25180	16.4
423.29666	0.3
424.25409	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	424.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09945	0.6
58.02842	0.8
59.01257	4.8
61.98679	0.6
69.26066	2.9
69.26499	2.5
70.01999	0.5
71.01247	0.9
73.02833	0.7
74.02345	1.1
79.95609	1.4
82.02844	0.6
84.04414	6.9
85.02835	1.2
93.03315	1.7
96.95888	82.6
97.06457	1.5
99.08050	3.1
100.07552	2.0
102.05484	56.3
103.05840	0.7
113.02314	0.7
113.09597	2.1
114.09141	0.7
128.03424	76.7
129.03781	1.9
135.04454	0.9
137.02312	2.1
137.05974	0.7
146.04489	11.6
156.13847	3.0
169.15918	2.6
173.04475	0.9
179.03548	0.5
179.14445	0.5
181.04991	1.3
191.05591	1.2
197.15399	3.7
214.18134	0.9
215.16463	55.1
216.16771	4.3
234.10617	0.5
238.21767	0.6
240.43987	0.7
254.21286	2.0
256.22836	0.9
261.05850	0.7
261.72662	0.5
277.11224	0.9
282.20609	0.6
287.09558	1.8
300.21796	13.8
301.22244	1.4
305.10648	0.8
326.19745	7.1
344.20755	100.0
345.21091	10.3
424.16440	75.8
425.12549	1.8
425.17291	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	423.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03496	1.1
59.01248	15.4
63.81562	1.2
69.03313	3.9
70.32552	1.1
70.60293	3.4
71.01260	1.4
79.95604	1.3
83.04875	1.8
84.02032	10.5
94.82864	1.2
95.04900	4.8
96.95899	2.6
97.02820	10.6
97.06468	17.6
99.04400	2.3
99.92453	2.4
116.64704	1.1
119.08590	1.1
125.09566	2.2
128.04260	1.0
134.03566	1.6
137.02335	1.6
145.02849	1.7
165.12813	1.5
171.10182	24.1
174.42218	1.1
183.13841	1.4
192.41064	1.2
193.08392	25.8
193.12247	14.4
194.08775	1.7
211.13374	4.3
215.10507	8.2
221.11809	1.6
225.14847	17.7
226.15172	2.1
231.09822	1.4
232.10728	3.8
233.11566	8.8
243.15952	6.6
247.13132	2.9
259.09491	1.8
261.11288	6.8
264.09756	25.5
265.14087	2.1
279.12308	5.2
281.08127	1.8
287.51978	1.3
294.10760	2.2
309.13138	3.1
341.23297	100.0
342.23547	11.8
345.20422	3.2
363.20581	20.4
364.20737	3.7
407.20425	1.9
423.16943	1.3
423.23730	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	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01593	1.3
69.93031	2.2
71.01260	1.3
73.02829	1.2
74.98980	0.7
78.95782	1.3
79.95626	0.4
83.55405	0.5
85.02827	0.9
87.00763	0.4
89.02336	0.7
93.03350	1.3
96.95881	6.3
101.02328	1.2
113.02367	0.8
120.99561	0.7
125.09584	0.8
135.04454	1.0
138.02110	0.4
149.19809	0.4
152.99580	0.7
153.09073	0.4
171.10411	0.5
173.04459	0.7
187.09749	0.6
191.05545	2.3
198.20598	0.4
203.57085	0.5
219.13907	0.6
262.97635	0.4
289.11398	0.8
307.76898	0.5
321.19278	0.8
335.18976	0.6
350.86130	0.5
363.20349	0.7
371.77722	0.5
377.29425	0.4
423.19394	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	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.9
59.01249	100.0
60.01587	1.5
61.98697	0.5
66.18425	0.4
71.01266	1.7
71.58318	0.6
72.99177	0.4
73.02817	1.3
73.56963	0.4
74.22181	0.3
78.95789	0.5
79.95619	1.0
83.04903	0.6
85.02834	1.4
87.00735	1.0
90.98485	0.6
93.03317	0.7
96.95885	3.3
98.95449	0.5
99.04401	0.8
101.02342	1.7
106.06465	0.5
113.02346	0.4
118.97994	1.1
120.99534	0.9
125.02372	0.4
127.03889	0.4
135.04414	1.8
135.27684	0.4
146.38037	0.3
151.04041	0.4
155.10669	0.5
161.04539	0.4
171.05582	0.4
173.04495	1.0
179.03502	0.8
184.13588	0.5
188.68724	0.4
191.05556	1.6
192.58311	0.3
207.05048	0.7
215.12926	0.4
320.08365	0.4
321.19159	0.8
387.20087	0.4
423.16782	0.9
423.25079	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	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01883	9.2
59.01250	31.6
60.52401	7.7
61.77184	8.6
71.57645	12.2
77.33167	9.4
89.43728	10.7
92.78917	10.1
96.06172	8.3
99.84087	8.2
121.02848	100.0
122.03156	31.6
196.20663	9.9
275.10583	10.2
421.27890	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1871
Annotation	Lys-Asp-Tyr
Peak:m/z	Relative Intensity
58.00470	2.0
59.01248	79.2
70.29884	4.8
71.01251	25.3
72.99183	2.2
73.02805	2.2
81.77859	1.1
83.01232	2.4
85.02834	8.0
89.02309	23.7
95.01241	1.3
96.95885	2.1
101.02318	17.6
113.02338	10.7
119.03403	8.1
139.11186	4.0
140.07045	1.4
161.04388	1.5
162.00018	1.2
163.11348	1.1
173.04480	2.9
181.12280	3.5
183.10187	3.9
191.05544	8.3
196.63719	1.1
199.13248	1.2
201.11246	2.8
225.11273	2.9
232.00677	3.1
242.70802	1.2
243.12334	22.9
244.12712	1.7
261.13382	3.5
262.10632	1.6
363.16589	4.7
379.19077	2.2
405.17456	3.4
423.18692	100.0
424.19040	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	421.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03696	1.2
78.95773	29.6
81.38324	0.5
88.87248	0.4
110.98410	47.2
152.99469	4.7
161.07249	0.5
166.76254	0.6
167.01041	1.5
185.02122	100.0
186.02469	2.2
253.21696	26.6
254.21915	2.7
421.23648	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	421.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73853	0.4
53.88294	0.5
59.01241	0.7
71.01258	2.5
71.58081	0.6
71.58463	0.5
78.72331	0.4
78.95779	4.2
85.02818	0.5
88.87981	0.4
97.02848	0.4
110.98401	4.0
113.02310	1.1
118.63248	0.4
125.02328	0.5
167.01071	1.9
185.02136	2.8
244.51900	0.4
253.21710	100.0
254.22043	9.5
277.21649	3.2
289.72409	0.5
347.26129	0.6
421.23682	4.3
422.23785	0.8
423.30954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97147	21.0
59.01245	45.3
68.87413	22.1
71.57616	37.7
78.95784	47.9
84.24515	22.0
88.98694	100.0
89.02319	42.7
93.99834	21.1
96.36740	25.8
110.98421	47.5
112.39095	22.6
115.78104	22.7
121.02863	52.2
122.03229	27.1
247.02292	26.2
270.00308	28.8
297.02542	23.4
331.18967	47.3
349.20087	36.0
403.24960	54.5
421.28027	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67530	0.4
65.88936	0.5
71.20418	0.7
71.20760	0.6
75.68333	0.4
78.95770	31.0
80.96407	2.4
85.26320	0.5
86.00340	0.4
110.98406	50.3
120.20593	0.5
146.96336	0.4
152.99466	4.2
167.01059	1.9
185.02119	100.0
186.02473	1.9
253.21695	24.1
254.22075	2.4
421.23456	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	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43678	0.4
55.01751	1.5
57.03320	2.1
58.00464	0.6
59.01249	87.0
60.01595	0.9
69.03342	0.5
71.01250	17.1
71.37049	0.8
72.99200	1.2
73.02811	4.6
79.98966	0.4
83.01251	3.9
85.02824	6.5
85.06463	3.1
85.99969	0.8
87.00748	1.1
89.02322	4.0
92.05894	0.4
95.01261	1.2
96.95885	4.7
97.02845	0.6
99.00760	1.3
99.04431	0.4
101.02316	12.3
112.55371	0.4
113.02338	4.7
119.03383	1.4
120.01098	0.7
125.02400	0.5
131.03413	0.5
155.56822	0.4
161.04462	0.8
171.13823	0.8
182.68454	0.4
191.05573	0.7
194.14465	0.5
197.11723	1.5
215.12827	6.5
241.00168	2.7
242.99860	0.5
254.14633	0.4
259.11844	0.7
262.39902	0.4
277.12271	0.8
301.41812	0.4
319.13971	0.6
359.17023	3.3
361.14966	4.8
362.15399	0.7
377.18134	100.0
378.18472	9.6
421.16089	1.1
421.21313	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	421.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
56.08477	0.5
57.03333	1.9
58.00458	0.9
59.01249	100.0
60.01583	1.0
70.79415	1.6
71.01253	11.7
71.01613	1.0
71.04881	1.0
72.99199	1.0
73.02821	6.1
80.11256	0.5
83.01264	2.9
85.02815	3.7
85.06480	2.1
87.00758	0.8
89.02306	3.4
96.95875	5.5
97.06465	0.6
99.00777	1.0
99.04399	0.8
101.02315	9.5
101.02896	0.7
113.02314	3.0
119.03380	1.7
125.02389	0.7
139.07623	0.5
141.55716	0.5
146.08148	3.1
161.04471	0.8
169.12265	0.6
175.03792	0.5
185.93881	0.6
191.05586	1.3
197.11740	1.3
197.31201	0.5
215.12773	5.2
241.00246	3.1
277.12241	4.6
283.50827	0.6
333.26923	0.6
359.17233	2.2
361.15002	6.8
362.15463	1.4
377.18134	65.5
378.18405	6.5
421.16629	1.6
421.21378	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	421.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51541	0.8
55.01752	1.7
57.03316	1.8
59.01254	42.0
69.46068	7.5
71.01252	30.9
71.34708	0.9
72.99171	1.5
73.02822	4.2
74.02360	1.1
83.01263	2.3
85.02815	9.6
87.00777	1.7
89.02314	5.9
93.03316	2.0
96.95879	4.0
99.00753	1.8
99.05517	1.1
101.02322	14.0
113.02304	6.3
119.03388	1.7
128.03464	1.2
132.99341	0.8
139.11180	0.8
143.04463	1.7
143.10680	2.0
173.04494	1.7
177.28651	0.9
191.05525	12.9
197.11891	1.1
203.92969	0.9
215.12872	5.7
259.11871	3.2
272.08765	1.1
283.10703	0.9
304.06183	1.6
345.10837	0.9
359.17102	1.9
361.15146	1.4
377.18149	100.0
378.18488	10.4
407.62958	0.9
421.20883	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	421.1538
Annotation	Ochrindole D
Peak:m/z	Relative Intensity
57.03320	0.3
59.01247	3.2
69.64338	0.6
69.64761	0.9
71.01256	1.2
73.02820	0.8
79.66498	0.3
79.95595	1.6
84.74522	0.2
85.02832	0.6
87.00748	0.3
89.02322	0.3
93.03294	0.3
94.05080	0.2
96.95888	100.0
97.95811	0.6
101.02328	0.8
113.02367	0.5
114.05669	0.2
115.56015	0.2
118.97980	0.3
133.02788	0.3
136.07632	0.4
152.99532	0.6
177.05466	0.4
180.06512	0.3
191.05501	0.6
263.50693	0.3
316.47961	0.2
331.12149	0.6
343.77655	0.3
377.17722	0.3
403.14420	0.4
421.15375	28.1
421.24530	1.0
422.15662	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	421.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55277	0.1
53.95780	0.2
57.03328	0.2
59.01253	3.0
69.83035	0.1
70.00046	0.9
71.01263	0.7
73.02821	0.5
75.00748	0.3
78.95760	0.2
79.95611	1.8
85.02828	0.5
87.00736	0.4
89.02332	0.4
93.03321	0.4
96.95888	100.0
97.95811	0.4
99.00734	0.3
99.04389	1.1
101.02329	0.6
109.02785	0.2
111.04390	0.2
113.02310	0.5
118.97954	0.2
119.04935	0.2
123.59203	0.2
149.10858	0.2
150.03160	0.2
161.04518	0.2
161.86606	0.2
165.05434	0.3
167.03374	0.4
173.04422	0.3
175.02448	0.2
183.14177	0.2
191.05528	0.4
199.62073	0.2
217.14005	0.2
225.03987	0.3
255.58594	0.2
312.12531	0.2
331.12177	0.3
421.15387	35.3
422.15683	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37362	0.2
59.01244	1.1
59.66059	0.3
67.36504	0.2
68.08403	0.2
71.01249	0.5
71.13551	0.5
73.65034	0.2
84.43244	0.2
87.00760	0.3
93.03323	1.3
96.95873	0.3
109.02872	0.2
117.03335	0.2
119.04915	100.0
120.05255	3.9
134.03629	0.3
135.04482	1.1
163.03915	74.5
164.04265	3.7
173.04468	0.5
179.03377	0.3
185.45035	0.2
191.05576	0.7
203.10698	0.4
247.09651	1.0
308.08997	0.3
421.14908	0.4
427.42615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.8
59.01256	6.9
70.65986	1.0
70.66306	1.8
71.01241	9.8
78.98470	5.8
79.95601	9.2
80.96388	68.6
81.03340	1.7
85.02813	4.2
87.00729	3.0
94.97962	17.9
96.95853	2.8
97.02828	1.7
99.00743	1.2
101.02305	4.0
106.97952	5.0
113.02342	1.6
113.66363	0.9
121.02847	10.9
122.97449	2.9
125.02319	3.4
126.24112	0.9
128.53185	0.9
134.97455	5.1
136.98988	1.1
148.99062	6.1
152.98544	6.0
157.18587	1.0
164.98552	11.6
166.99998	1.1
185.08107	1.5
223.06129	1.9
225.00696	16.1
225.02759	1.8
299.04327	7.6
355.90732	1.1
421.08081	100.0
422.08374	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	421.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	4.3
58.00433	1.3
59.01251	53.2
60.01590	1.7
65.00191	1.0
65.03834	2.4
68.99686	2.4
69.03313	5.2
71.01251	38.7
71.04877	1.3
71.56983	1.2
72.01619	1.2
72.99185	7.8
73.02814	7.2
75.00746	15.7
81.03327	17.8
83.01246	3.3
83.04916	1.9
85.02338	2.4
85.02821	29.7
85.06458	2.2
87.00746	12.8
87.04432	1.2
89.02312	13.1
91.03850	1.3
93.03332	18.1
95.01255	8.9
95.02267	1.0
96.95894	16.2
97.02819	1.7
97.06447	1.4
99.00769	10.5
99.04400	1.5
101.02323	10.0
103.00243	1.9
108.02055	14.6
109.02836	77.4
110.03119	2.3
111.00790	2.2
113.02333	34.7
114.02657	1.5
115.00275	2.1
117.01803	2.6
119.03378	2.9
120.01074	1.6
120.68150	1.2
121.02834	8.0
125.02322	2.8
127.03904	2.9
129.01813	3.1
132.04437	1.1
135.00752	3.3
135.04427	2.9
136.03946	1.3
137.02335	26.2
153.01839	100.0
154.02303	5.7
160.03864	1.5
161.04480	1.2
171.02876	10.5
171.13731	1.4
173.04492	2.1
175.02368	3.0
189.03827	1.3
191.05501	4.0
199.93274	1.2
215.12810	6.9
227.05688	2.3
231.05107	2.6
241.14340	2.8
249.06136	37.2
250.06354	2.1
260.67377	1.3
267.07224	35.8
268.07581	1.4
269.06873	1.4
361.14978	1.6
371.09830	8.4
377.18079	5.9
387.09338	13.5
388.09210	1.4
403.08801	1.8
404.09775	3.4
421.09787	7.6
421.15869	8.1
421.20786	41.0
422.09851	1.5
422.21674	1.9
426.51520	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	420.2028
Annotation	CHEBI:69394
Peak:m/z	Relative Intensity
57.03328	10.4
57.59605	1.1
59.01250	46.0
60.01583	1.6
69.29243	3.7
69.29659	9.0
71.01257	2.6
72.99157	1.9
73.02795	2.5
74.02354	11.6
77.18670	1.3
80.96355	1.7
81.03316	3.6
83.01210	1.2
85.02805	2.1
93.03326	5.7
93.06285	1.4
96.95889	5.4
97.06415	1.4
102.07657	1.4
105.54581	1.4
107.04919	1.3
108.04398	1.5
108.08042	2.7
110.02363	6.6
111.03128	1.6
112.03925	2.5
113.05944	1.7
114.52505	1.3
119.04914	5.0
121.06375	1.5
128.03427	1.2
132.08218	1.3
133.02808	1.5
134.05963	2.2
135.04382	2.1
152.07072	10.3
154.25529	1.4
160.11223	6.2
163.03920	3.8
164.07047	8.7
165.07455	1.7
173.04475	4.5
173.08298	1.6
176.10675	1.9
178.12309	5.5
179.03258	2.0
180.06577	9.9
191.05460	6.8
191.08087	1.5
194.11829	6.7
196.09711	3.2
197.99608	1.7
204.10281	2.0
220.13368	22.8
221.13689	1.7
222.11296	60.2
223.11615	2.6
236.12631	1.5
238.14507	6.8
240.12462	1.4
252.15984	7.1
254.13942	22.0
264.12393	5.0
284.16550	4.0
303.06274	1.3
326.17584	4.5
344.18631	27.3
345.18845	2.9
346.16461	6.1
358.20032	3.9
360.18137	44.1
361.18399	4.8
370.16614	4.5
388.17679	3.7
390.03073	1.7
402.19156	21.4
403.19482	3.0
420.20239	100.0
420.30347	4.5
421.15131	2.4
421.20337	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	420.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30033	0.5
51.79396	0.4
57.03322	0.6
59.01247	6.5
68.99673	0.5
69.03329	1.1
71.01252	3.1
71.34537	0.5
71.34863	0.8
72.99178	0.6
73.02824	3.7
77.13656	0.5
81.03337	1.5
82.88316	0.4
83.01277	0.8
85.02827	2.9
87.00764	0.8
89.02304	0.9
92.02488	0.6
93.02533	0.5
93.03321	1.4
95.01283	1.5
96.95896	3.2
97.06449	1.2
99.00729	0.7
101.02290	2.7
108.02048	100.0
109.02859	26.6
110.03160	0.8
113.02319	2.2
121.02830	1.8
122.02358	8.6
123.00723	1.1
123.04398	2.4
131.00826	0.5
133.02843	0.8
135.04402	0.8
141.05473	1.1
151.03873	2.3
152.01051	58.0
153.01842	35.4
154.02133	1.3
157.09566	0.5
163.03914	2.0
165.01826	0.7
171.13777	0.7
173.53722	0.5
176.53355	0.5
186.05498	2.6
191.05533	1.0
207.03061	0.7
207.05023	0.7
214.04999	0.9
215.12843	1.4
264.54718	0.5
267.07086	0.6
297.06223	1.0
359.16873	0.6
377.18137	19.8
420.09351	62.1
421.09671	7.5
421.16348	5.3
421.21036	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	419.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89318	0.8
57.03320	1.6
59.01253	13.5
61.98697	3.1
69.03312	1.0
71.01260	6.5
71.39791	0.8
71.57869	0.8
72.99186	12.8
73.02804	2.8
78.12862	0.8
85.02830	2.0
87.00756	1.3
87.04396	1.2
89.02316	1.3
93.03351	1.2
93.56086	0.8
94.71231	0.9
96.95908	2.0
97.06476	1.7
101.02339	1.5
109.06467	1.2
113.02254	1.2
118.70139	0.9
122.05969	0.8
123.49962	0.8
134.06003	2.3
135.04424	0.9
139.11169	2.3
141.12723	1.3
149.09604	1.5
157.12256	3.0
169.12291	1.7
173.04457	2.0
178.02632	1.9
179.03452	1.4
185.11710	4.2
191.05521	2.5
191.59898	0.9
201.36873	0.8
212.10809	2.1
214.11832	1.0
215.12849	14.4
215.16376	1.0
221.08168	2.2
223.13261	1.6
311.22385	1.4
327.25522	3.3
329.23297	18.3
330.23801	1.5
339.25287	8.9
340.25903	1.1
355.24811	11.2
357.26453	4.5
359.17569	7.6
360.18161	1.4
377.21854	2.4
383.24341	5.3
401.21448	0.7
401.25427	57.8
402.25818	7.5
419.26593	100.0
420.18179	1.2
420.26950	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	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12981	12.8
56.46361	12.3
59.01234	55.5
67.49729	13.1
69.35911	23.1
69.36317	100.0
77.86260	11.8
82.48787	15.2
83.32993	12.4
121.60471	12.3
142.77400	12.4
191.05547	14.5
199.77380	11.5
245.21281	14.6
345.20590	28.0
390.26514	14.6
419.24069	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05309	35.4
50.61488	29.2
59.01232	100.0
61.63765	32.5
70.60532	89.3
89.19851	31.6
96.95866	33.9
101.92110	29.4
105.27950	30.8
120.57462	31.3
135.27492	31.8
173.50676	31.9
224.28000	33.8
250.58548	30.5
282.69989	32.8
302.33698	32.2
345.20755	32.9
417.05942	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03334	1.9
59.01252	7.8
59.96687	0.5
60.47217	0.3
68.99686	0.3
70.97694	0.3
70.97996	0.5
71.01251	9.0
72.99168	0.8
73.02816	7.2
75.00747	1.0
83.01267	1.7
85.02819	5.5
85.03289	0.6
87.00794	0.7
87.04408	0.8
88.92329	0.3
89.02331	0.6
90.66866	0.4
93.03315	0.6
94.04092	0.4
95.01277	0.4
95.04923	0.6
96.95897	1.1
99.00759	1.1
100.01062	0.3
101.02321	7.5
108.02055	0.8
109.02847	0.8
111.00726	0.3
113.02326	3.8
123.28878	0.4
125.02362	1.0
135.04437	0.4
135.08046	3.9
137.09616	15.8
138.09955	1.0
141.52814	0.4
151.45245	0.3
155.10681	94.5
155.21893	0.4
156.11011	4.8
159.02885	0.9
161.04454	2.5
169.17712	0.4
173.04384	1.8
181.08635	4.7
191.05548	1.1
199.09685	20.7
200.10060	1.0
201.11192	0.4
215.07030	1.4
237.09750	1.4
241.10809	0.5
345.22729	1.1
359.11288	1.4
377.12292	1.1
419.19202	100.0
420.19583	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	417.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52561	15.9
59.01245	99.9
65.72863	17.1
66.27545	18.1
69.68388	27.2
69.68796	100.0
72.97694	17.3
86.61410	17.3
137.63309	18.0
166.59358	17.1
181.79977	19.1
188.29994	18.7
433.02130	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	418.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.1
59.01250	19.6
63.74725	0.5
70.44079	1.4
71.01228	1.2
71.04899	0.7
73.02805	0.9
83.01223	0.4
83.93206	0.4
84.04423	7.9
93.03355	0.8
96.95895	1.6
98.05998	6.4
100.03963	2.5
112.03925	4.4
133.02821	0.4
137.89212	0.5
142.05008	19.5
146.06358	0.5
148.04291	53.7
149.04590	1.0
155.03409	0.8
190.05368	38.6
191.05612	1.9
193.53520	0.6
195.10139	0.7
196.10535	0.5
201.09250	0.6
217.75002	0.5
225.14883	4.3
227.12825	3.9
248.62448	0.5
269.13965	0.5
280.19806	0.5
336.71869	0.5
340.15872	2.0
356.18918	2.4
358.16937	8.0
400.18054	6.9
418.19037	100.0
419.13718	1.0
419.19116	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91729	1.0
55.01750	2.4
57.03310	1.8
58.00453	1.3
59.01249	100.0
60.01604	1.6
69.03323	3.3
69.26495	11.2
70.88818	1.2
71.01252	60.6
71.04898	2.0
72.99171	3.2
73.02817	75.2
74.72851	1.2
75.00724	1.5
76.18149	1.0
81.03338	2.3
83.01266	18.0
83.04903	3.3
84.89932	1.0
85.02811	7.5
87.00755	3.9
89.02315	8.4
93.03339	2.6
95.04910	5.5
96.95898	4.9
97.02826	2.2
97.06443	5.3
99.00760	2.9
99.08018	1.2
101.02321	48.5
101.17849	1.1
102.02650	1.0
107.04902	6.6
109.02821	1.4
113.02317	13.6
115.03948	1.6
115.07517	6.0
118.97977	1.1
119.03397	3.3
120.01121	1.5
125.02290	1.3
125.09599	1.2
129.76564	1.0
131.03403	4.0
134.03632	1.3
135.04402	2.9
135.08023	1.0
136.05193	2.6
137.02419	1.1
137.09593	1.7
139.11195	4.1
143.03439	2.3
149.09621	1.9
151.11191	52.1
152.03450	1.3
152.11536	1.8
153.09097	3.3
153.12759	1.4
155.03392	1.4
155.10672	6.7
161.04417	7.5
164.08302	3.1
167.10654	2.6
167.14421	1.8
169.12247	4.4
173.04477	4.1
177.09125	8.7
179.03423	1.4
179.10744	1.3
181.12334	1.8
185.11752	4.9
191.05534	3.8
193.12265	7.0
195.10199	91.7
196.02446	4.7
196.10555	4.2
199.09668	2.1
207.04951	1.2
211.13376	4.8
213.11238	14.9
214.11507	1.6
225.11263	2.1
232.50755	1.4
236.39732	1.2
343.21454	2.8
375.19443	2.5
407.90836	1.2
417.17328	6.4
417.21732	5.1
417.25317	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03315	1.7
59.01250	61.3
60.01594	1.2
69.03335	2.9
69.24951	7.1
71.01254	24.7
71.04892	0.9
72.99172	1.7
73.02818	27.7
74.02347	1.2
74.03133	0.8
74.91614	0.6
75.00748	0.9
81.03348	0.6
83.01255	8.0
83.04832	0.7
85.02827	5.2
85.63855	0.6
87.00735	1.2
87.04395	1.6
89.02323	3.7
93.03323	1.5
94.04141	1.2
95.01277	1.2
95.04900	6.2
96.95889	2.3
97.02853	0.6
97.06464	2.3
98.03613	7.0
98.20572	1.3
99.00768	0.8
101.02322	20.0
107.04908	8.8
108.05228	0.7
113.02309	5.7
119.03380	1.6
125.02360	1.0
125.09672	0.9
131.03409	1.2
133.10124	1.3
135.08025	1.3
137.02299	0.7
137.09616	1.2
148.04308	0.9
149.04520	0.9
149.09616	3.6
151.11189	87.8
152.11539	5.5
153.09087	0.7
154.09924	2.0
155.10725	4.1
156.11067	0.9
161.04465	2.8
169.12251	16.0
170.12628	0.8
171.10138	1.0
173.04460	1.6
182.09393	0.6
191.05544	1.5
195.10201	100.0
196.10553	5.6
199.09671	2.0
200.10065	0.6
201.11349	0.7
203.08315	0.7
223.54446	0.8
227.03459	1.3
228.03781	1.0
255.03056	2.9
256.03415	0.9
269.49261	0.6
274.45175	0.7
283.02383	1.2
284.03174	4.2
285.03873	4.0
286.04379	1.7
314.08838	1.4
315.09204	0.8
343.21277	1.2
357.26071	0.9
389.29044	1.9
401.73099	0.7
417.20004	4.0
417.24905	3.5
418.19040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0828
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
54.65228	0.3
56.02305	0.3
59.01233	1.0
63.33979	0.4
65.00208	0.3
67.67533	0.3
70.41010	1.2
73.02814	0.7
74.34063	0.3
85.02832	0.4
93.03342	0.5
96.95864	0.5
101.02336	0.4
103.27181	0.3
120.88567	0.3
125.02372	0.6
132.01997	0.5
135.00751	0.5
137.02345	0.5
151.00267	1.7
159.04404	0.4
163.00276	0.6
169.01399	0.4
171.10175	0.7
183.04387	0.7
185.06010	0.6
187.03899	0.6
194.32851	0.3
199.20636	0.4
201.92471	0.3
211.03894	1.7
213.05438	0.7
221.45638	0.3
227.03442	55.0
228.03807	4.8
229.05005	1.5
239.03464	0.4
255.02956	80.7
256.03522	14.3
257.04398	1.4
284.03244	95.6
285.03888	27.6
286.04434	2.0
327.05185	1.1
343.21588	0.5
417.08243	100.0
418.08533	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	416.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.0
58.02847	2.6
59.01251	38.2
67.01750	1.2
70.97350	0.8
70.97685	1.2
71.01250	4.1
73.02820	1.5
74.02345	1.2
82.02864	0.7
83.04883	0.6
84.04454	2.9
85.02811	3.2
87.00771	1.4
87.10585	0.6
89.02314	1.3
93.03341	6.9
95.17335	0.6
96.95882	1.7
97.06451	1.1
98.06012	0.8
99.04370	1.5
100.07552	6.4
101.02319	1.6
101.05945	0.7
102.05492	61.4
103.05817	1.3
111.04423	2.4
113.02363	1.0
124.25529	0.6
125.02377	0.6
126.05523	4.1
128.03429	100.0
129.03781	2.6
134.03583	1.1
135.04433	2.6
137.02347	1.8
139.11206	1.8
144.06581	8.1
146.04504	24.2
155.03410	2.6
165.12767	0.8
170.04532	8.2
173.04478	22.2
179.03403	1.4
183.10255	1.1
188.05576	7.3
191.05576	7.7
201.11250	0.9
207.05070	1.4
207.13892	1.8
209.11794	2.6
213.48235	0.6
215.77737	0.6
225.14897	3.1
227.12866	10.7
237.15216	0.6
243.12364	6.6
269.13867	3.9
287.14990	24.1
288.15341	1.4
292.19287	0.7
294.17087	1.0
297.12476	0.8
309.52606	0.7
312.18222	1.2
354.18951	1.1
356.17215	1.9
378.51733	0.6
398.18152	6.7
416.19250	85.4
417.19070	11.2
417.25119	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	415.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.8
62.14536	0.6
70.78746	0.5
71.01266	1.0
71.58057	1.1
74.98975	6.1
77.00537	74.2
78.00884	0.6
83.13139	0.5
94.44271	0.6
94.71461	0.6
96.95962	0.6
147.08002	1.4
149.09651	1.8
161.09605	0.9
163.11189	2.0
167.14191	0.6
168.29691	0.6
187.11197	2.1
188.87823	0.7
279.13916	1.1
280.14655	0.9
309.22263	2.4
330.03867	0.6
337.21722	100.0
338.22061	15.0
415.10873	1.9
415.23206	13.3
415.32095	8.3
416.23462	2.4
416.32355	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	415.1973
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.32225	0.5
52.05910	0.5
54.54524	0.5
55.01757	2.3
57.03307	1.1
58.00473	2.1
59.01251	100.0
60.01583	0.6
69.03328	1.3
70.98090	1.2
71.01252	60.6
72.01596	1.3
72.99184	2.9
73.02818	76.3
74.02340	0.6
74.03156	0.5
81.03352	0.9
83.01257	23.3
85.02824	7.7
87.00758	2.0
87.04389	1.2
89.02319	15.9
93.03329	1.1
95.01274	1.9
96.95905	4.3
97.02831	1.1
97.21489	0.5
99.00771	2.2
101.02322	69.0
102.02697	1.0
111.07928	0.4
111.90222	0.6
113.02328	14.9
119.03384	5.6
120.99528	1.2
125.02334	3.4
131.03357	4.2
137.09613	0.8
143.03394	5.2
149.04462	3.3
155.03395	1.8
155.10690	5.2
161.02385	0.5
161.04468	11.0
173.04466	1.2
179.05493	0.5
191.05496	1.8
193.12259	12.6
194.12547	0.9
199.09691	2.3
201.11194	1.5
203.05479	1.0
211.13266	0.9
223.04144	1.1
227.03459	2.6
241.10724	0.8
255.02963	5.1
283.02399	2.3
283.11737	1.5
284.03259	4.9
285.04071	2.7
313.58636	4.0
314.08929	0.7
355.17496	3.2
373.18677	9.7
374.18820	1.1
395.11731	0.6
415.10904	1.1
415.19589	23.8
415.31680	1.2
416.12109	1.0
416.19797	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	415.161
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01743	0.5
57.03327	2.8
58.00473	2.6
59.01250	50.7
67.18126	0.5
69.59337	1.8
69.59766	2.0
71.01254	28.5
72.99173	2.5
73.02820	1.8
83.01241	2.4
83.04906	1.3
83.57719	0.5
85.02827	7.8
87.00742	0.7
88.03890	0.6
89.02316	25.1
95.01289	2.7
96.95827	0.7
97.02865	0.5
97.06467	1.1
98.20570	0.7
99.00741	1.4
101.02317	19.6
107.04894	1.0
109.02853	1.2
109.06438	2.1
113.02337	9.4
119.03390	8.7
121.05653	0.6
121.06475	3.8
122.03621	13.0
125.02365	0.6
131.03339	0.8
133.06461	1.0
135.04431	3.3
137.05977	12.2
138.06393	0.6
139.07536	1.2
143.03368	0.9
147.07996	0.8
149.04330	0.6
149.09660	3.4
161.04407	0.9
162.06607	0.7
165.05437	3.3
173.09630	3.0
174.09955	0.7
176.08365	0.9
179.05522	1.4
189.09065	1.0
191.10696	16.2
192.11075	1.0
209.97922	0.5
235.09718	2.1
334.46185	0.5
380.18134	0.7
415.16089	100.0
416.16415	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	415.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26814	0.4
55.88043	0.5
57.03304	0.5
59.01250	53.1
64.63778	0.5
68.99679	0.7
69.52866	3.1
71.01244	4.8
72.99173	0.7
73.02811	2.0
80.04913	1.4
83.01245	0.6
85.02815	2.3
87.00752	0.6
89.02327	3.1
93.03347	0.8
96.95890	3.5
97.06506	0.5
99.00770	1.3
101.02328	3.1
104.04922	6.0
106.06515	6.7
107.06834	0.6
108.04427	4.6
113.02335	2.0
116.04934	1.8
119.03365	1.8
122.05989	1.8
124.01601	0.6
125.02321	2.1
128.52879	0.5
132.04448	29.9
133.04773	1.4
134.06012	54.8
135.04443	0.5
135.06352	2.2
137.38876	0.5
139.80547	0.5
144.04442	4.3
147.03201	0.5
148.03941	6.7
149.99434	1.1
150.05482	1.4
152.07108	2.4
158.06010	8.0
160.03929	6.6
161.04445	1.4
164.07056	0.8
168.00522	2.3
171.10172	1.4
173.04585	1.4
174.05501	2.1
176.03448	8.3
177.03926	0.9
188.03442	6.1
189.04239	1.4
190.05006	0.9
191.05516	1.9
193.07532	0.5
194.08188	1.6
201.11235	3.2
202.04990	1.5
207.09224	1.4
208.06084	6.6
220.06070	1.0
221.07097	1.8
223.12372	2.7
225.10371	1.2
227.11763	2.6
235.08693	2.3
236.09421	1.3
249.10294	1.0
251.11865	21.8
252.12175	2.7
253.09799	2.5
255.11375	5.4
261.18652	0.5
263.08286	0.7
267.11414	4.2
268.11807	0.6
277.09839	0.6
279.08154	1.1
279.11371	32.5
280.11646	3.3
293.09454	0.8
295.10867	11.5
295.91699	0.5
296.11258	1.7
297.12405	1.1
297.20724	1.0
311.13907	0.7
315.13593	0.7
321.08633	0.7
323.10355	38.6
324.10684	4.0
337.11996	3.9
338.12210	0.7
339.13571	3.3
341.11401	3.6
341.19565	1.3
353.19394	0.6
355.12967	100.0
356.13297	12.4
373.13940	3.4
373.18109	0.6
377.21118	0.9
383.12473	19.2
384.12723	2.9
397.22186	1.1
415.15256	16.3
415.23553	5.3
416.15430	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	415.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22055	1.1
59.01250	94.2
62.92513	1.4
71.01246	1.6
89.02300	1.5
94.06544	1.3
95.70092	1.4
96.95896	1.8
97.85506	1.1
98.54515	1.2
104.04918	2.1
106.06510	6.1
108.04447	2.0
116.04925	1.6
121.46506	1.4
122.06005	5.7
132.04448	82.5
133.04796	4.0
134.06009	84.3
135.06389	3.2
144.04443	12.5
146.06032	3.9
148.03989	1.5
152.07126	1.5
158.06023	8.8
164.07065	13.9
164.98293	1.4
176.07079	13.4
184.36519	1.4
191.05562	1.6
194.08180	4.3
221.07182	2.6
223.12215	2.1
229.68501	1.5
234.17723	1.4
235.08807	2.1
236.09587	2.1
247.32764	1.3
249.06761	1.4
251.11859	29.3
252.12225	2.8
255.21732	1.2
263.08331	3.3
264.09000	9.0
267.11383	2.5
279.11380	69.1
280.11896	6.7
297.12564	1.4
306.83936	1.2
311.14014	100.0
312.14310	9.5
321.91507	1.3
339.13492	31.6
340.13724	4.2
371.16104	34.4
372.16220	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	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84715	0.8
59.01252	100.0
60.01577	1.1
68.95209	0.7
68.99671	1.1
70.91492	2.3
71.01252	7.2
71.90115	0.7
73.02812	1.9
81.03352	0.8
83.08200	0.9
85.02827	2.8
87.00739	2.4
89.02309	4.2
93.03334	7.5
94.03764	0.7
95.01294	1.1
96.95875	3.3
97.02840	0.8
99.71239	0.7
101.02320	3.0
103.00251	6.1
111.04389	0.8
113.02306	2.1
118.97945	0.9
119.03370	1.3
121.02837	2.0
132.04305	0.7
133.02803	1.0
134.05974	1.0
135.04399	2.0
137.02336	6.3
137.09549	0.9
149.90558	0.8
151.03908	13.8
155.03447	0.8
158.29092	0.9
161.04404	1.1
167.03423	0.9
173.04463	3.4
175.93336	0.7
191.05518	7.0
201.11288	0.9
207.05055	1.7
226.07393	1.0
241.09792	8.3
252.13716	1.9
301.11908	3.0
311.10260	1.0
339.03778	0.8
341.19971	0.9
371.12369	1.4
382.23450	0.8
415.10541	1.0
415.15207	1.7
415.23315	4.3
439.83365	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	415.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.1
57.03311	3.0
58.00455	5.3
59.01249	100.0
60.15600	0.9
60.33540	0.9
69.03333	4.0
70.95171	1.0
71.01250	80.5
71.57561	1.4
72.99181	5.3
73.02821	9.4
75.00736	1.2
79.51202	0.8
81.03319	2.6
83.01250	7.7
85.02823	17.9
87.00755	13.7
89.02316	81.9
90.02675	1.2
91.03329	0.8
91.03872	1.1
94.43322	1.0
95.01270	6.2
97.02839	7.8
99.00772	3.7
101.02322	64.7
109.02824	1.3
111.04373	0.8
113.02329	27.0
114.02692	1.1
119.03392	24.2
121.02847	0.9
123.00797	1.0
125.02326	13.0
127.03867	0.9
131.03398	5.0
133.19994	0.8
142.24374	1.0
143.03421	11.1
149.04454	3.3
151.03827	1.0
161.04454	13.7
163.93431	0.8
175.55099	0.8
178.63518	0.9
179.05530	24.2
179.07173	1.2
185.04485	2.4
221.06607	7.4
235.08177	13.6
253.09265	12.9
263.07776	5.5
287.07748	2.4
305.08749	2.8
397.13306	1.1
415.14566	98.9
416.14792	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	415.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17007	1.8
53.01167	1.5
54.34843	1.8
54.82835	1.9
57.03332	2.0
57.52103	1.8
59.01250	100.0
60.01585	1.7
69.57153	3.0
69.57560	10.8
71.01260	15.3
72.99126	1.9
73.02785	4.7
75.27940	1.7
79.75249	1.8
83.04893	1.9
85.02841	9.3
87.00760	2.4
89.02313	7.9
93.03320	5.4
95.14748	1.9
96.95895	7.5
101.02314	7.9
103.00254	48.8
104.00593	2.4
109.02834	5.2
110.02377	2.9
111.00761	2.7
113.02325	7.3
119.03442	4.4
119.04872	2.3
120.00829	4.4
120.04428	2.3
122.02309	2.1
132.04462	2.1
134.02368	14.0
134.05983	5.4
135.03152	2.3
136.03983	10.4
137.02380	3.4
146.06035	6.0
148.03925	4.2
150.01851	3.4
150.05554	3.3
152.07063	3.9
160.03932	3.1
161.04567	7.7
162.01872	13.5
162.05522	2.5
163.02650	26.5
164.03432	39.8
168.10820	2.1
173.04535	9.5
176.03455	44.7
176.05011	3.9
177.01953	1.9
178.04991	1.9
180.46419	1.8
191.05595	11.5
193.03712	2.1
198.00685	2.1
199.40564	2.1
207.05051	3.8
224.07140	3.1
226.08786	2.2
227.07732	2.0
240.10292	3.8
243.11441	2.5
248.90627	2.1
250.08029	1.9
252.06627	3.2
268.09744	4.7
269.09335	5.1
283.10773	11.5
286.10733	3.3
293.09387	6.6
294.07733	5.9
301.11948	2.0
311.10300	22.3
312.08722	8.4
328.12039	4.2
329.11404	36.7
330.11780	3.8
343.12909	3.4
353.11319	4.5
354.09842	14.4
371.08273	2.9
371.12466	28.4
372.12680	2.7
415.23907	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11099	2.4
58.91739	2.5
59.01251	100.0
65.19817	2.5
71.13175	6.9
78.68340	2.4
83.32432	2.3
88.90404	2.5
118.39507	2.6
126.64597	2.5
183.26617	2.6
299.89969	2.5
341.76578	2.5
375.40689	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	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
63.18967	1.1
69.87559	4.7
89.87809	1.1
262.52411	1.1
359.50458	0.9
413.30676	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	413.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88761	0.2
57.30948	0.2
59.01251	100.0
59.69197	0.3
60.01583	1.1
61.84100	0.3
69.43243	2.4
71.01268	0.8
73.02842	0.4
85.02795	0.4
87.00790	0.3
89.71762	0.3
96.95908	0.8
100.77757	0.3
101.02313	0.5
108.02092	0.3
152.01082	0.5
206.04591	0.6
229.06192	0.4
232.37274	0.3
269.66019	0.3
271.10895	0.7
315.09894	0.4
316.10794	0.5
353.11356	0.4
353.23233	0.4
413.08380	0.3
413.21280	0.4
413.25925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03324	1.2
58.00455	0.3
59.01250	100.0
60.01582	1.1
61.93920	0.2
62.99160	0.1
69.03336	0.2
69.38941	1.7
71.01254	8.2
72.99199	0.2
73.02815	3.0
83.01247	1.6
85.02818	4.5
87.00769	0.4
89.02306	1.5
93.03340	0.2
95.01284	0.8
96.95921	0.4
97.02846	0.2
98.19747	0.2
99.00750	1.0
101.02321	5.4
113.02333	3.4
119.03402	0.4
137.09636	0.3
143.03368	0.3
153.05882	0.2
159.02876	0.3
161.04457	3.2
175.03842	0.2
175.10551	0.2
209.15419	1.8
227.03610	0.2
255.03085	0.3
284.03293	0.3
303.48663	0.2
316.78467	0.2
318.50616	0.2
353.19675	1.9
371.20746	7.7
372.21179	0.6
413.22125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.01757	0.3
57.03315	0.9
59.01250	100.0
59.88956	0.3
60.01582	1.1
71.01252	3.8
71.04887	0.4
71.14211	0.7
73.02834	2.0
74.02364	0.5
76.41401	0.3
83.01250	0.7
85.02806	2.0
89.02336	1.3
93.03334	0.4
95.01300	0.4
96.95877	1.5
97.02834	0.6
99.00792	0.4
101.02324	2.8
105.01844	0.3
108.02047	3.8
109.02879	0.9
113.02303	1.6
118.97966	0.3
119.03462	0.6
125.09650	0.5
137.02344	0.7
152.01074	2.4
153.01903	0.8
161.02367	0.3
161.04535	1.1
165.12712	1.6
171.10165	0.5
173.04572	0.8
179.03464	0.5
191.05545	0.4
191.14413	0.8
199.13322	0.5
209.15434	0.8
226.79477	0.3
277.18134	0.7
282.13776	0.3
295.19162	1.4
327.18146	0.3
333.20801	0.5
339.18167	1.1
340.18887	0.3
351.21857	0.7
371.20700	0.5
395.20728	0.7
413.13940	2.3
413.21814	6.8
414.15082	0.4
414.22025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03318	1.0
58.00452	0.7
59.01250	100.0
60.01561	1.3
69.48060	5.1
70.35169	0.6
71.01251	22.7
72.99188	0.8
73.02817	25.4
75.00744	0.8
83.01245	5.1
84.01587	0.6
85.02827	3.8
87.00771	0.8
89.02322	7.9
93.03342	0.6
95.01268	1.3
96.95925	0.8
101.02322	22.9
110.79109	0.6
111.66792	0.6
113.02328	9.4
115.63174	0.6
119.03392	2.6
125.02325	1.3
131.03407	1.2
137.09624	8.1
143.03436	1.8
149.04507	1.1
152.95413	0.6
155.03484	0.6
161.04437	3.9
165.88832	0.6
173.04520	0.9
189.12801	1.1
233.35655	0.6
246.46606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47805	0.9
59.01248	100.0
60.01568	1.2
70.59820	2.7
79.97711	0.9
86.10400	0.8
86.30984	0.9
98.20418	1.1
136.87057	0.9
176.43831	0.9
308.98151	0.9
347.77740	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	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62079	2.0
59.01249	100.0
63.35544	2.1
69.60339	12.3
69.60735	4.4
78.93691	2.0
80.81437	2.2
84.68378	1.7
87.38104	1.9
105.80298	2.1
163.63045	2.1
261.60251	2.0
290.82831	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	413.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.6
65.00225	0.8
69.67433	3.3
69.67847	1.6
71.01249	2.3
71.21135	0.7
78.52889	0.7
78.98482	0.7
80.96383	3.1
83.01270	0.8
85.02822	2.3
87.00757	1.9
93.03312	1.5
94.97942	1.2
95.01259	1.1
96.95899	1.8
97.02855	0.8
101.02308	1.0
111.00748	2.2
113.02316	1.3
121.19509	0.7
123.00776	2.0
124.01545	11.9
124.72604	0.9
125.02319	2.2
139.00264	4.0
139.07671	1.1
141.01849	3.0
147.04449	0.9
151.00275	8.3
152.01051	79.1
153.01350	1.9
163.00224	1.2
167.03285	1.0
169.01231	0.8
173.04439	2.5
178.98201	1.8
178.99785	28.6
179.03401	0.8
191.05528	7.8
192.05864	1.1
193.01320	2.1
193.04945	1.2
207.02895	1.6
207.04935	0.9
208.00063	72.6
209.00777	5.4
209.08244	1.4
223.02396	2.0
239.07520	0.8
353.04962	2.1
413.07169	100.0
414.07251	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	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.8
57.03324	1.1
58.00464	0.9
59.01250	100.0
60.01577	0.9
60.02645	0.7
69.03326	0.7
69.30615	2.6
69.31033	4.1
71.01251	18.7
72.99196	0.8
73.02818	17.8
74.03211	0.9
78.99146	0.6
83.01254	5.4
85.02817	3.1
87.00777	1.3
89.02325	5.6
94.39552	0.7
96.95902	2.6
98.19844	1.6
101.02321	16.9
106.06496	1.4
113.02322	8.0
119.03439	2.1
119.29584	0.7
131.03433	1.3
132.39621	0.7
137.09613	6.0
143.03406	0.9
149.04494	0.9
150.05516	1.9
160.02650	0.7
161.04535	2.6
196.91499	0.7
207.02942	1.3
280.51111	0.8
308.90033	0.8
351.07156	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	411.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33068	0.2
57.03320	0.5
59.01252	8.9
60.01568	0.3
63.02263	0.8
65.00192	1.1
70.18314	0.2
70.91735	0.5
71.01254	0.8
73.02794	0.3
81.03337	0.8
83.01272	1.1
85.02840	0.7
87.00749	0.3
91.01749	0.5
93.03359	0.4
95.01284	0.4
96.95886	0.8
97.06450	0.3
101.02335	0.4
107.01289	2.0
108.02052	5.7
109.02835	79.1
110.03168	2.4
122.66572	0.2
125.02375	0.5
135.04456	0.4
151.00281	5.6
152.01076	2.3
153.01839	100.0
154.00932	0.3
154.02184	4.3
169.01332	1.9
173.04591	0.3
174.03123	1.1
175.07587	0.5
176.04497	0.2
177.01802	0.2
178.99796	4.2
180.80920	0.2
187.03947	0.6
188.04681	0.3
191.05518	0.6
198.03114	0.3
201.05496	0.5
203.07080	1.9
207.13840	0.4
212.04539	0.2
213.05592	0.2
226.35844	0.2
230.05957	0.2
231.06512	1.0
241.04724	0.2
271.75070	0.2
298.01120	0.3
299.01938	0.5
309.04114	0.3
314.35040	0.2
315.07034	0.5
324.06335	0.6
332.72388	0.2
350.04272	1.3
357.27252	0.2
365.06265	0.3
378.17105	0.2
383.07593	1.3
384.40723	0.2
395.68869	0.2
411.07288	1.3
411.12991	2.1
412.07968	0.2
412.13303	0.3
419.04388	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	410.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87570	0.6
58.02842	0.7
59.00986	0.8
59.01250	9.8
61.98693	1.0
67.01783	0.7
70.02840	1.7
71.00890	1.1
71.01255	15.8
71.06927	1.4
73.02812	0.8
78.95765	2.4
83.04859	0.8
85.02796	1.1
87.00777	0.9
88.03911	46.6
93.03320	2.6
96.95885	31.2
96.99184	1.9
97.06477	1.6
99.08018	2.5
101.02307	1.5
106.51744	0.6
109.02811	2.4
111.04395	0.7
113.09619	1.0
114.01845	1.5
114.09144	1.1
115.00258	14.3
132.02940	3.3
133.02792	0.7
134.03583	1.0
135.04393	1.9
151.00169	1.1
153.01822	2.0
155.03265	0.7
169.15910	0.7
173.04472	2.8
178.02602	0.9
179.03333	0.8
183.13728	1.6
191.05508	2.9
192.05832	1.1
194.15399	2.5
195.13823	1.8
196.16963	4.1
197.15421	1.1
212.16492	2.5
213.14871	8.8
214.18060	16.1
215.16457	21.1
215.18303	1.3
216.16730	1.0
224.20299	0.8
225.18542	0.6
238.96947	0.6
240.16190	0.6
276.35373	0.7
286.20251	10.8
287.20538	1.2
308.24478	0.7
312.18024	1.8
330.19193	100.0
331.19617	8.2
369.29172	0.7
410.14871	18.4
410.19611	2.7
410.23969	0.7
411.15381	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	410.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.7
59.01245	41.5
64.90808	1.6
66.03355	2.4
71.01248	23.3
71.15342	2.2
71.15690	2.2
72.99177	13.4
73.02814	12.0
75.00743	8.2
81.03333	2.8
83.01261	4.5
85.02822	22.9
87.00756	8.1
89.02326	8.1
90.87582	1.8
93.03339	3.1
94.02847	1.6
95.01279	4.7
96.95890	22.2
98.02357	1.8
98.95507	1.9
99.00768	6.1
99.04405	3.6
101.02328	14.9
103.00241	2.9
106.02837	1.7
107.04893	4.7
109.02838	16.0
110.02374	4.0
111.00764	2.2
113.02319	14.6
116.04934	26.9
117.01820	2.9
119.03406	1.9
121.02829	26.2
125.02329	3.3
127.03917	9.4
129.01846	8.9
131.03452	2.1
134.02344	3.4
135.04436	3.2
136.05220	4.6
147.03304	1.7
147.04359	7.8
149.06042	2.0
158.06049	5.4
160.03954	22.6
173.04498	3.3
176.07095	2.4
188.09593	1.6
189.03958	14.4
189.09155	3.8
191.05624	3.9
193.03482	4.6
202.05061	6.2
207.05029	100.0
208.05432	3.8
220.06102	26.0
231.05009	2.6
249.06114	27.0
249.08507	2.3
288.07224	3.2
354.50769	1.8
392.09909	5.6
410.10852	29.0
411.11353	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	410.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.7
59.01245	41.5
64.90808	1.6
66.03355	2.4
71.01248	23.3
71.15342	2.2
71.15690	2.2
72.99177	13.4
73.02814	12.0
75.00743	8.2
81.03333	2.8
83.01261	4.5
85.02822	22.9
87.00756	8.1
89.02326	8.1
90.87582	1.8
93.03339	3.1
94.02847	1.6
95.01279	4.7
96.95890	22.2
98.02357	1.8
98.95507	1.9
99.00768	6.1
99.04405	3.6
101.02328	14.9
103.00241	2.9
106.02837	1.7
107.04893	4.7
109.02838	16.0
110.02374	4.0
111.00764	2.2
113.02319	14.6
116.04934	26.9
117.01820	2.9
119.03406	1.9
121.02829	26.2
125.02329	3.3
127.03917	9.4
129.01846	8.9
131.03452	2.1
134.02344	3.4
135.04436	3.2
136.05220	4.6
147.03304	1.7
147.04359	7.8
149.06042	2.0
158.06049	5.4
160.03954	22.6
173.04498	3.3
176.07095	2.4
188.09593	1.6
189.03958	14.4
189.09155	3.8
191.05624	3.9
193.03482	4.6
202.05061	6.2
207.05029	100.0
208.05432	3.8
220.06102	26.0
231.05009	2.6
249.06114	27.0
249.08507	2.3
288.07224	3.2
354.50769	1.8
392.09909	5.6
410.10852	29.0
411.11353	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	409.2361
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
59.01247	1.4
65.43203	0.3
65.49062	0.3
69.29137	1.4
69.29564	1.7
73.67607	0.3
78.95773	72.7
96.96838	4.5
133.19727	0.3
150.97925	1.5
152.99489	100.0
153.99840	1.3
154.72699	0.3
171.00528	2.0
209.64716	0.3
255.23355	1.8
409.23553	14.9
410.23889	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	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.9
57.43888	0.5
59.01250	100.0
60.01582	0.9
69.03366	0.6
70.00385	0.5
71.01248	7.7
71.58492	1.0
72.99203	0.8
73.02829	2.3
79.95603	0.7
83.01263	0.9
85.02817	3.0
87.00755	1.8
88.03915	3.8
89.02347	1.2
93.03322	4.5
94.03702	0.6
94.25867	0.6
95.01254	0.9
96.95892	8.8
97.02782	0.5
97.06501	3.1
99.00766	1.2
101.02334	5.5
109.02830	1.0
111.00697	0.7
111.04438	1.3
113.02370	2.0
115.00286	1.5
119.03300	0.6
125.02408	1.0
127.03899	1.0
133.02887	2.2
134.03616	0.9
135.04436	3.9
143.22229	0.7
155.03423	0.8
161.04510	2.0
166.54465	0.6
173.04480	8.6
176.03918	1.3
178.02731	0.9
179.03442	2.4
190.53926	0.5
191.05545	9.9
191.07162	1.1
200.16537	0.8
213.14920	1.4
214.18083	1.4
215.16557	1.6
221.93303	0.6
225.26208	0.5
242.05197	2.3
242.55403	2.2
247.13846	1.7
264.55066	1.9
267.06555	1.3
286.20181	1.2
289.16727	1.4
291.08780	1.4
307.17593	9.1
308.18085	0.8
311.05695	0.8
312.06183	1.0
313.08041	0.9
330.19131	7.2
338.04312	0.8
346.76892	0.6
349.18799	2.0
409.07986	0.8
409.18347	3.1
410.14786	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	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.9
57.43888	0.5
59.01250	100.0
60.01582	0.9
69.03366	0.6
70.00385	0.5
71.01248	7.7
71.58492	1.0
72.99203	0.8
73.02829	2.3
79.95603	0.7
83.01263	0.9
85.02817	3.0
87.00755	1.8
88.03915	3.8
89.02347	1.2
93.03322	4.5
94.03702	0.6
94.25867	0.6
95.01254	0.9
96.95892	8.8
97.02782	0.5
97.06501	3.1
99.00766	1.2
101.02334	5.5
109.02830	1.0
111.00697	0.7
111.04438	1.3
113.02370	2.0
115.00286	1.5
119.03300	0.6
125.02408	1.0
127.03899	1.0
133.02887	2.2
134.03616	0.9
135.04436	3.9
143.22229	0.7
155.03423	0.8
161.04510	2.0
166.54465	0.6
173.04480	8.6
176.03918	1.3
178.02731	0.9
179.03442	2.4
190.53926	0.5
191.05545	9.9
191.07162	1.1
200.16537	0.8
213.14920	1.4
214.18083	1.4
215.16557	1.6
221.93303	0.6
225.26208	0.5
242.05197	2.3
242.55403	2.2
247.13846	1.7
264.55066	1.9
267.06555	1.3
286.20181	1.2
289.16727	1.4
291.08780	1.4
307.17593	9.1
308.18085	0.8
311.05695	0.8
312.06183	1.0
313.08041	0.9
330.19131	7.2
338.04312	0.8
346.76892	0.6
349.18799	2.0
409.07986	0.8
409.18347	3.1
410.14786	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	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84690	0.8
56.59903	0.9
57.03319	15.8
57.38113	0.9
58.00452	1.0
59.01247	100.0
60.01578	1.5
69.59972	2.5
69.60392	3.9
71.01253	21.1
72.99177	1.8
73.02812	6.5
75.00732	1.0
81.03307	1.5
83.01241	3.3
85.02814	11.4
87.00739	2.8
89.02315	5.5
93.03342	2.0
95.01235	1.3
96.95892	1.5
97.02831	0.9
99.00771	3.3
99.04377	11.1
101.02322	20.4
103.00260	1.0
106.03522	0.9
109.02836	3.0
113.02347	8.2
119.03359	1.7
125.02329	5.3
127.03890	1.2
129.01804	0.9
129.93291	0.9
134.03589	1.3
135.04376	1.7
143.03372	1.5
145.07617	10.1
159.02884	2.0
161.04449	12.6
173.04582	2.1
173.05983	6.8
175.03899	2.0
179.05507	1.2
189.03975	3.0
191.05495	10.8
191.07077	8.2
207.05031	12.6
220.06097	2.9
235.06073	4.7
247.11934	1.1
255.89185	0.9
265.12964	7.5
271.64340	1.1
271.89005	0.9
277.12778	1.3
305.16064	29.5
306.16397	2.9
307.13977	1.0
328.48672	1.0
329.63550	1.0
331.17630	7.7
339.44070	0.9
340.97202	1.0
349.11517	1.1
349.18347	1.2
409.11893	3.7
409.16943	1.3
409.27917	4.2
410.10654	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	409.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77824	0.3
55.19039	0.4
58.29255	0.4
59.01249	55.0
60.01591	1.0
61.01676	0.4
71.01258	3.1
72.12568	0.4
72.99192	0.6
73.02816	0.6
79.95600	7.2
85.02840	1.3
87.00753	0.5
89.02321	0.8
93.03331	2.1
95.95109	1.4
96.95887	100.0
97.06420	0.5
97.95824	0.6
101.02324	1.1
101.31278	0.4
108.39552	0.4
109.02837	0.5
111.00830	0.5
113.02326	0.5
115.03910	0.4
119.04861	0.7
120.99548	8.5
125.02380	0.4
131.07002	0.8
133.02855	0.6
134.03517	0.5
135.04410	1.6
137.02362	1.4
141.39571	0.4
145.02907	0.6
155.03372	0.5
163.03923	0.5
169.08595	0.7
173.04483	3.1
179.03468	0.7
191.05548	5.8
205.12332	0.6
208.93799	0.4
229.08725	0.6
255.11482	0.6
260.42407	0.4
287.09512	0.6
349.25949	0.9
392.50052	0.4
409.09790	28.3
409.18820	2.8
410.10098	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	409.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17159	0.5
51.57431	0.5
52.91435	0.6
55.01762	1.3
57.03323	52.7
58.00497	0.5
58.03658	1.0
59.01250	100.0
60.01583	0.9
61.72235	0.7
70.92694	1.6
71.01251	23.6
71.04910	0.5
72.99195	2.0
73.02823	5.2
81.03329	1.2
83.01263	2.9
85.02821	9.4
87.00767	1.5
89.02319	16.3
93.03349	0.6
95.01290	1.7
96.95912	1.6
99.00754	3.1
99.04395	40.0
100.04745	1.1
101.02322	27.6
101.02995	1.3
101.05960	0.7
109.02862	1.2
113.02328	11.7
119.03387	5.9
125.02342	15.7
125.03223	0.9
127.03938	1.3
128.35643	0.6
129.01833	1.4
131.03444	0.6
135.04512	0.8
143.03349	3.0
145.07605	0.6
147.04419	0.6
149.04515	0.7
159.02924	1.6
159.10208	0.7
161.04465	10.0
173.04553	1.0
177.54289	0.7
179.05481	4.5
188.51335	0.6
189.04073	1.5
191.05571	3.7
191.06976	1.0
207.05042	12.3
220.06068	3.1
247.11902	1.3
265.12915	29.7
266.13290	1.4
305.16296	2.2
307.13922	4.3
347.17136	1.3
369.42126	0.6
392.10861	0.6
393.66098	0.6
409.12442	0.6
409.16769	3.3
409.28320	1.5
410.10931	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	407.205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84789	1.9
54.14472	2.1
55.23069	2.2
57.03322	5.0
59.01251	23.4
59.87942	2.0
70.12069	2.4
71.01237	3.6
71.04881	3.4
72.74470	2.4
83.01262	5.2
83.04919	2.6
91.01257	2.1
96.95889	6.8
98.19785	7.4
99.92479	6.4
109.02802	2.6
109.06497	2.7
111.08001	12.5
112.35006	2.0
115.92002	2.8
123.04418	6.9
123.08066	3.0
125.09616	20.1
127.11164	8.3
135.08083	2.6
137.09573	6.5
139.11150	2.8
141.09108	8.0
149.09528	2.5
151.11168	5.6
153.09134	6.2
155.10721	3.5
164.08342	5.5
167.10632	2.7
171.10210	21.1
181.08417	3.8
183.09982	6.0
193.08408	18.7
195.10149	7.4
197.11736	3.4
201.11255	58.9
205.08504	2.4
207.09967	9.0
209.07954	16.2
211.13368	3.3
213.11270	35.7
219.10010	8.2
223.09485	100.0
224.09830	4.7
225.07570	2.4
231.09969	3.1
235.09492	40.7
236.09784	3.8
241.09210	13.7
248.10362	3.7
249.10994	6.8
259.13324	3.4
260.10245	28.3
261.10892	2.5
278.11343	45.4
289.17978	13.8
307.19122	31.9
311.16351	5.2
319.18649	2.9
320.11041	2.8
325.20193	90.0
326.20526	7.3
329.17313	67.7
330.17810	6.8
338.11896	3.5
347.17465	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65221	1.6
59.01256	11.5
63.93819	1.4
69.66080	1.5
70.10799	3.5
71.01247	27.8
73.02900	1.2
80.91570	1.6
83.04883	3.4
84.02068	2.3
93.03341	1.7
95.04899	6.3
96.95879	3.6
99.04427	1.9
99.08028	2.8
99.46941	1.4
99.92461	3.5
109.02824	1.7
115.07571	2.0
123.04403	11.1
125.09622	3.3
125.99263	1.6
127.07545	14.1
139.07550	2.0
153.09097	4.5
171.10178	10.0
178.09854	2.0
185.11684	8.0
197.11729	10.7
207.09969	20.7
208.10342	1.7
209.11758	30.0
210.12160	2.0
218.57185	1.6
219.10014	7.0
221.07907	11.1
221.11589	1.6
231.09964	2.9
249.11244	1.5
251.11211	2.2
251.16505	1.6
252.35895	1.7
260.10266	28.5
261.10620	1.8
277.10571	5.2
278.11356	100.0
279.11676	6.0
289.18167	4.2
307.19141	37.0
308.19620	2.6
320.11166	2.4
325.20154	23.8
329.17270	50.7
330.17319	2.9
338.12207	2.8
347.17682	23.9
348.18039	2.5
385.21140	1.9
391.34442	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	406.1871
Annotation	Ligularidine
Peak:m/z	Relative Intensity
58.02851	11.9
59.01251	1.7
70.02853	2.6
70.72080	1.4
72.00773	4.5
73.02833	0.5
74.02338	7.5
87.04408	2.1
93.03339	5.1
93.05570	0.4
96.95871	1.0
106.04108	2.0
107.04920	7.2
108.02074	0.4
113.03469	0.9
113.58782	0.4
116.03430	1.7
119.04917	12.0
120.05325	0.6
134.06018	0.7
136.07552	0.9
139.11186	4.4
163.03918	19.6
163.60225	0.4
164.04288	0.9
178.08658	7.6
180.06580	100.0
181.06909	5.1
181.12239	3.2
183.10149	2.2
191.05516	0.5
220.13423	0.4
222.07664	36.2
223.08066	2.1
225.11276	0.9
238.14412	1.3
344.18481	0.8
388.17599	3.8
406.18701	60.9
407.19092	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	406.187
Annotation	Ligularidine
Peak:m/z	Relative Intensity
57.03328	7.2
59.01252	14.1
70.02870	0.4
70.51759	0.9
72.00782	1.0
72.04415	4.6
74.02344	15.2
84.04434	0.4
85.02829	0.3
86.05993	1.2
87.00761	0.3
88.18847	0.2
93.03323	3.2
96.95878	1.3
97.06499	0.3
98.06023	0.3
99.04373	0.8
106.04121	1.0
107.04900	2.5
108.02009	0.3
109.06461	0.4
110.06004	0.3
113.02271	0.3
118.20584	0.2
119.04917	7.6
119.87575	0.3
124.07566	1.5
126.09127	0.5
134.06003	0.6
135.04433	0.5
136.07562	1.3
138.09145	0.4
139.11215	0.3
154.12276	0.4
154.57854	0.3
161.13399	0.3
162.05525	2.3
163.03914	7.9
163.11192	0.4
164.04308	0.4
164.10716	1.0
173.04434	0.8
178.12241	0.9
179.03360	0.3
180.06584	26.8
180.13853	0.3
181.06862	1.5
181.12314	0.5
182.11798	0.3
183.10220	0.4
191.05484	1.1
192.10265	2.0
192.13927	0.3
196.13322	0.8
198.02887	0.3
220.13379	1.8
222.11259	0.9
225.11230	0.5
232.13383	1.8
238.14467	5.3
239.14738	0.4
240.12395	8.4
241.12659	0.5
244.11087	0.6
244.13422	7.6
245.13760	0.8
264.12369	0.7
274.18231	0.8
284.16589	1.5
300.02658	0.4
300.14557	0.6
300.19733	3.6
301.20068	0.4
302.17621	2.3
326.17502	0.9
334.00919	0.4
344.18665	13.3
345.19086	1.4
346.16577	33.4
347.16913	3.7
370.16553	1.3
388.17667	14.6
388.21796	0.2
389.17920	1.6
406.18683	100.0
407.19006	12.8
407.25369	0.4
407.26697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67083	1.2
54.46726	1.3
55.52128	1.2
58.02845	14.3
65.27541	1.2
65.68800	1.4
65.69829	1.2
66.03369	1.8
71.05801	2.1
71.06120	1.3
74.02343	27.6
81.04447	2.9
82.02846	3.0
84.04420	1.7
86.02349	12.7
87.05518	4.6
97.03931	3.7
99.05515	29.0
101.07077	4.3
102.05491	3.6
103.76820	1.4
106.13799	1.1
109.03954	4.9
111.05510	1.7
112.03941	2.6
123.05512	2.4
124.03930	1.9
125.03468	5.0
127.04998	5.2
128.03427	74.8
129.03761	1.8
132.01317	1.5
133.06834	17.9
135.05553	7.9
141.06607	2.5
143.04523	100.0
144.04860	3.4
145.06067	2.3
146.04492	11.0
149.07141	1.6
153.06596	6.5
155.08220	1.8
166.09789	4.1
167.04500	5.3
167.08168	6.4
171.03996	3.0
179.04541	21.3
180.05009	1.5
181.06070	3.0
185.05540	2.6
192.07721	2.3
197.05630	2.9
210.08774	21.6
233.22833	1.3
254.07791	38.2
255.08195	3.3
257.70163	1.7
262.76901	1.5
272.08865	48.5
273.09421	2.4
277.12244	4.8
388.15396	6.8
406.16525	51.7
407.17075	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	405.213
Annotation	Staphylionoside B
Peak:m/z	Relative Intensity
57.03321	1.9
58.85870	0.6
59.01248	100.0
60.01595	1.0
69.43530	4.9
71.01244	3.3
71.04913	0.7
73.02827	2.5
74.02348	1.2
75.00755	1.0
79.95583	0.8
81.03354	0.9
85.02819	2.1
87.00771	0.8
89.02342	1.1
91.14308	0.6
93.03394	0.7
96.95883	37.1
97.06451	0.8
99.04413	2.4
101.02342	2.2
109.06479	0.9
113.02326	0.8
117.10453	0.5
124.03875	0.5
125.09659	0.9
129.05444	0.6
130.89621	0.5
135.06538	2.9
137.09615	0.6
139.11214	2.3
153.09200	0.6
155.10658	1.4
163.03958	0.7
163.11130	0.7
165.12801	1.6
167.10696	0.7
171.10168	0.8
180.06616	2.6
181.12299	2.5
183.10204	1.9
186.46730	0.6
191.05562	1.0
194.28764	0.5
199.13399	1.1
201.11301	2.8
207.13844	5.0
209.11755	8.4
221.58426	0.6
225.11279	2.4
225.14896	7.3
227.12831	42.7
228.13251	2.9
243.12363	10.4
244.12595	0.8
251.12971	2.3
252.01112	0.6
269.13962	12.7
270.14493	0.7
285.13446	1.2
287.14999	35.4
288.15317	2.9
387.20090	9.0
388.20670	1.0
405.16119	12.5
405.21396	39.9
406.16833	1.2
406.21686	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	406.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54507	0.9
58.02845	13.4
66.03362	2.2
68.04907	1.1
69.48493	7.5
72.00776	1.2
74.02344	29.5
82.02850	4.0
82.06499	1.4
84.04423	1.4
86.02347	11.4
86.05990	2.0
87.02626	1.3
87.05521	6.3
96.04407	1.2
97.03938	2.3
99.05517	27.1
101.07080	5.3
102.05498	3.6
107.06075	0.9
109.03935	4.4
109.07587	1.2
111.05517	2.8
112.03924	2.8
113.07034	0.9
123.01813	1.1
123.05538	2.5
124.03933	2.0
125.03473	5.1
127.05036	4.7
128.03430	74.2
129.03777	2.0
133.06836	20.3
135.05534	7.9
135.82605	0.9
137.07124	2.0
141.06630	5.0
142.67680	0.9
143.04527	100.0
144.04916	2.5
145.06142	4.3
146.04474	11.7
149.07022	0.9
153.06592	6.0
155.04414	1.0
155.08160	1.3
166.09769	3.0
167.04488	3.3
167.08223	6.0
170.03206	2.1
171.04025	2.5
173.49948	0.8
179.04549	24.9
181.06108	2.6
184.10829	1.7
185.05652	3.5
192.07718	2.2
196.72147	0.8
197.05560	4.6
205.46675	1.0
210.08777	21.9
228.09772	1.1
254.05109	1.9
254.07799	46.6
255.08138	2.8
272.08875	49.1
273.09219	3.4
277.12299	6.6
335.65027	1.1
388.15436	10.5
406.16534	53.3
407.16742	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	405.2127
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01733	0.4
57.03325	2.2
58.00463	1.0
59.01252	19.7
61.98717	0.4
70.55862	0.9
71.01255	11.3
71.04903	1.0
72.99182	1.1
73.02814	1.3
74.02347	0.6
77.33350	0.3
83.01260	1.1
85.02820	3.2
87.00742	1.0
89.02317	7.1
95.01258	0.6
96.95882	2.1
97.74851	0.3
99.00765	1.2
99.04384	1.7
101.02324	7.7
113.02333	4.0
113.03534	0.3
117.85044	0.3
118.97975	1.4
119.03376	2.1
119.04904	0.4
120.20765	0.3
120.59603	0.4
123.08021	0.4
125.02319	0.4
125.09582	1.0
141.09100	0.6
163.03903	0.4
168.01566	0.4
171.10234	0.5
173.04381	0.4
179.03326	0.4
180.06555	1.5
215.12813	0.4
225.14919	5.6
243.12303	0.9
243.15981	9.3
244.16295	0.7
261.13336	0.5
344.18924	0.5
387.20117	1.9
387.27768	0.6
388.17575	0.7
405.21259	100.0
406.17377	0.6
406.22272	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	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03314	1.8
59.01249	9.5
69.88974	2.4
71.01251	7.9
72.99185	0.5
73.02817	6.9
74.02332	1.1
75.00747	1.1
76.73293	0.4
83.01259	1.7
83.04884	0.5
85.02824	6.0
87.00762	0.7
87.04400	0.7
89.02356	0.5
93.03319	0.6
95.01277	0.5
95.04916	0.8
96.95887	1.8
97.02805	0.5
99.00748	1.0
101.02319	6.9
109.06470	0.5
110.06001	0.5
113.02328	2.5
116.87332	0.5
119.04904	0.5
119.08565	0.4
126.13941	0.5
135.08060	5.4
137.09625	14.9
138.10019	0.6
155.10686	85.2
155.51109	0.4
156.11023	3.9
159.02966	0.5
161.04474	1.4
163.03949	0.8
171.10184	0.7
180.06567	1.7
181.08617	4.4
199.09695	21.5
200.09947	1.5
201.11191	1.1
202.98981	0.5
215.12917	0.4
223.08075	1.4
224.06439	0.5
240.12410	0.9
241.25298	0.4
243.12453	0.5
260.66510	0.4
313.68323	0.4
346.16504	2.3
388.17792	1.1
391.43295	0.5
405.17627	100.0
406.18225	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06400	0.4
57.03321	1.9
57.20161	0.5
59.01250	48.6
65.42382	0.4
67.11031	0.6
71.01252	2.7
71.04888	0.6
73.02815	3.2
85.02819	0.9
87.04378	0.8
89.02309	1.1
96.95901	1.4
98.20521	1.7
101.02311	3.7
109.06472	0.6
111.89875	0.4
113.02366	0.6
129.05478	0.8
139.11186	20.8
140.11592	0.7
149.09479	0.5
156.93980	0.5
162.24417	0.5
163.11147	0.8
165.09088	1.2
169.84602	0.4
173.04482	0.9
179.10612	0.6
181.12260	9.9
182.12595	0.8
183.10194	20.0
184.10542	1.1
199.13286	6.2
216.58403	0.5
225.11243	8.9
231.40558	0.5
243.12344	100.0
244.12698	6.4
257.13953	0.9
285.13428	27.0
286.13766	1.8
297.13553	0.6
315.14453	5.3
345.15521	25.8
346.15863	2.8
387.16605	0.5
405.12808	0.7
405.17606	6.8
405.24976	1.6
406.17944	1.0
406.97461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02089	1.8
54.26250	1.5
57.03324	1.5
58.02853	11.9
59.01252	22.3
60.60812	1.8
70.02841	3.0
70.86568	5.1
71.01258	9.2
72.00774	2.5
74.02341	32.4
75.46500	1.6
76.80885	1.6
81.04444	2.9
82.02857	3.7
86.02357	12.5
86.06014	2.3
86.98988	2.6
87.05516	9.9
89.02324	5.3
90.00050	2.2
90.89413	1.8
96.95880	7.0
97.03971	4.5
99.00852	2.1
99.05507	27.8
101.02320	4.5
101.07066	1.8
101.73711	1.7
102.05460	4.3
109.03986	1.8
111.05539	2.2
112.03917	4.3
113.02306	2.6
118.06554	2.3
119.03437	3.4
123.05548	3.2
125.03514	4.0
127.05048	6.3
128.03430	72.5
129.03720	2.7
135.05521	6.6
136.03941	1.6
137.07117	1.8
138.05521	9.0
141.06601	7.7
143.04523	100.0
144.04727	3.0
145.06146	3.0
146.04503	9.0
149.07083	1.8
153.06593	5.0
155.08188	2.2
160.00639	27.7
161.04378	2.0
162.05524	4.9
166.09761	3.7
167.04532	8.7
167.08224	2.4
177.03305	9.5
179.04541	18.0
181.05984	2.9
185.05635	3.5
192.07599	2.2
197.05554	3.7
210.08739	17.1
242.07721	3.4
253.04759	2.5
254.07854	25.9
272.08878	43.4
288.06577	10.9
301.12030	4.2
306.07648	98.9
307.07901	4.8
429.98477	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92775	0.4
57.03315	1.9
58.35806	0.5
59.01248	55.0
60.01556	0.5
70.05334	2.3
71.01250	3.1
73.02821	3.0
75.78695	0.5
80.88213	0.4
85.02813	1.0
87.04375	0.9
89.02309	1.0
96.25004	0.5
96.95883	3.8
98.19818	0.7
101.02322	5.7
105.50006	0.6
108.22963	0.5
113.02319	0.8
125.05965	0.5
129.05521	0.6
137.09598	0.7
139.11185	24.9
140.11493	1.2
163.11209	0.8
165.09055	1.3
169.12212	0.7
175.11871	0.5
181.12251	17.4
182.12566	1.5
183.10185	33.1
184.10477	2.0
197.11729	0.5
199.13307	9.6
200.13733	0.5
225.11276	13.3
226.11600	1.1
243.12334	100.0
244.12663	5.3
257.13931	1.1
267.12576	0.5
285.13428	27.4
286.13834	2.3
315.14432	5.5
328.83951	0.6
345.15533	21.7
346.15857	2.0
405.17581	5.6
405.24762	2.0
406.18158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	2.5
57.93867	0.9
59.01252	99.3
60.01572	1.8
61.98670	1.5
62.86336	1.0
68.61256	1.0
69.03307	2.4
70.91669	1.9
70.92004	1.8
71.01246	4.5
71.04874	2.7
72.99152	1.5
73.02818	6.0
74.98945	3.8
75.00713	1.4
83.04880	3.0
85.02800	4.0
87.00751	1.2
87.04375	3.1
89.02298	1.5
93.03301	2.1
95.04879	2.6
96.63247	1.0
96.95872	4.5
97.06434	3.6
99.00695	1.2
101.02301	2.3
104.35905	1.0
105.03353	4.5
107.04892	2.0
107.17419	0.9
108.02021	3.3
109.02835	1.1
109.06474	4.7
111.00716	1.4
111.04419	1.3
111.08011	1.7
116.72695	0.9
118.97959	1.4
119.04906	17.1
120.05225	4.2
120.99507	1.9
121.02819	1.9
123.08009	3.9
125.02304	1.8
125.05950	1.5
125.09634	7.6
126.03171	0.9
127.11147	2.5
132.02054	1.9
133.02858	37.3
134.03685	12.4
135.04453	5.4
135.05289	0.8
135.08015	3.7
136.04831	1.0
136.99001	3.8
137.02344	10.3
137.09576	1.6
138.06770	2.6
139.03883	3.2
139.07542	2.6
139.11140	3.0
145.08601	2.3
149.02353	1.5
149.05986	1.1
151.03865	1.0
152.01079	2.0
153.01801	1.0
153.09134	12.3
154.09366	1.2
155.10617	4.3
160.01485	2.6
161.02318	3.2
163.03925	11.3
164.04218	1.9
171.10193	21.5
173.04550	1.1
175.03787	1.0
177.01855	13.0
178.01224	1.3
178.02646	22.3
179.03293	5.0
183.10210	1.3
183.13872	7.2
195.13751	1.5
201.11267	61.1
202.11583	3.4
215.12779	2.6
231.12360	26.9
232.12791	1.7
255.16039	1.4
257.08160	1.5
275.09012	2.6
283.19058	2.2
289.18124	10.6
306.07446	62.3
307.07721	3.6
307.19180	10.6
311.22040	2.7
323.18872	1.1
323.22128	5.2
325.20184	17.7
326.20377	1.6
329.23306	13.9
330.23300	1.1
343.21140	1.8
367.20947	1.6
367.25061	1.3
385.22290	28.7
386.22363	2.8
403.23172	100.0
404.18625	1.4
404.23486	11.8
422.87704	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	403.1971
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01760	3.8
57.03322	7.3
57.52016	1.5
58.00459	4.3
59.01250	100.0
69.03321	1.7
71.01250	82.8
71.57682	2.2
72.01563	1.4
72.99182	5.2
73.02811	15.4
73.62624	1.4
75.00784	1.9
83.01270	6.8
83.04890	1.5
85.02818	24.7
86.04815	1.5
87.00721	6.4
87.04402	1.6
89.00584	1.5
89.02315	63.3
90.02663	1.5
91.25004	1.2
93.03340	7.5
95.01277	6.0
95.04908	1.4
96.95913	4.9
97.02835	2.1
97.06475	1.8
99.00773	6.1
99.04430	1.6
101.02321	62.2
101.02999	3.0
102.02693	1.6
106.80269	1.5
111.04409	3.7
113.02329	38.4
114.02656	1.3
118.06513	3.5
118.98003	1.9
119.03389	24.9
121.02834	3.2
124.01559	4.9
125.02370	2.4
129.01837	2.0
131.03436	2.7
133.02875	3.9
135.04468	1.8
135.08183	1.7
137.02364	5.0
137.09653	6.5
143.03369	4.0
147.08026	2.3
149.04536	1.7
149.05994	6.8
155.03401	2.8
155.10674	11.2
159.02946	4.4
160.03963	1.9
161.04475	23.4
161.09627	8.5
162.05528	18.5
163.11212	4.1
173.04500	10.3
179.05531	7.3
179.10713	3.7
181.08597	1.8
191.05518	1.7
193.04987	34.8
193.06781	2.1
194.05434	2.2
197.11732	3.4
199.09689	5.4
207.10231	2.1
209.02103	2.9
216.38269	1.5
221.06851	1.4
223.09796	3.6
223.13339	81.7
224.13741	6.0
231.10091	1.9
241.10814	6.6
241.14400	21.8
275.09097	1.5
281.06586	2.0
283.11636	2.9
301.40765	1.4
327.09869	1.6
343.13965	2.8
359.20825	3.6
367.10452	7.5
403.11005	2.6
403.19754	72.9
404.15613	1.5
404.20303	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	403.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12947	1.9
57.03300	3.1
59.01009	1.7
59.01250	15.1
71.01254	12.7
72.99190	8.8
73.02795	2.2
74.27448	1.6
75.00733	2.6
81.03333	5.9
83.01224	1.9
85.02824	22.9
87.00759	4.8
89.02321	4.6
93.03336	11.5
94.13566	1.6
95.01248	3.8
96.95873	18.6
98.20583	3.4
99.00761	9.6
99.04379	3.4
101.02342	10.0
103.00218	2.8
108.02055	14.5
109.02139	3.0
109.02840	48.1
113.02317	8.5
121.02845	4.7
123.04405	5.8
125.02355	1.8
127.03904	8.0
129.01836	11.2
133.02806	2.0
141.57619	1.7
151.03889	8.7
153.01842	80.5
187.79613	1.8
189.03990	11.1
195.03000	2.0
195.15607	1.8
207.05032	100.0
208.05406	3.5
249.06099	11.0
267.07092	8.8
385.07968	2.2
403.08594	21.4
404.09372	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	403.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25960	1.5
57.03337	2.5
58.62144	1.4
59.01254	13.9
59.29482	1.5
62.33929	1.6
71.01263	10.1
71.36744	4.0
72.99187	7.3
73.02816	3.3
81.03341	4.4
81.64777	1.6
83.04910	2.6
85.02825	18.0
87.00756	4.8
89.02319	9.0
93.03326	6.4
96.95902	2.6
99.00743	5.1
99.04408	3.1
101.02316	13.0
103.00225	2.6
108.02077	5.2
109.02827	15.5
113.02301	3.6
117.67525	1.6
119.03377	4.6
121.02845	5.5
123.04408	7.5
125.02347	1.7
127.03908	6.4
128.03433	2.3
129.01859	8.0
133.02887	2.6
143.04536	2.2
151.03938	7.1
189.03961	10.7
195.02940	1.9
207.05040	100.0
208.05388	3.3
403.08630	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	403.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
58.00474	0.6
59.01251	5.8
60.01591	0.2
61.98700	0.2
69.03313	0.3
70.92915	0.5
70.93251	0.5
71.01245	2.3
71.01568	0.3
71.04903	0.4
72.99182	0.2
73.02816	4.9
73.32818	0.2
75.00758	0.2
75.28809	0.2
83.04884	0.4
85.02814	1.6
87.00763	0.4
87.04385	3.3
93.03339	0.6
95.04903	0.2
96.95895	0.7
97.02831	0.6
97.06460	0.4
99.04413	0.2
101.02310	1.8
109.06492	0.3
113.02332	1.0
118.97971	0.5
119.04909	0.3
125.02332	0.4
133.02856	0.9
134.03496	0.2
135.04445	0.5
135.06433	0.3
135.08070	2.2
137.09619	11.5
138.09950	0.6
139.11203	0.3
141.09142	0.2
143.03424	0.4
151.11130	0.5
153.09154	1.2
155.10680	98.2
156.11017	4.5
161.04521	0.2
169.12276	1.4
173.04521	0.3
178.02643	0.5
180.06573	1.3
181.08597	1.5
187.07564	0.4
199.09685	100.0
200.10033	5.6
201.11285	0.4
203.05557	0.3
203.07829	0.2
203.75269	0.2
213.11278	1.5
218.99631	0.2
241.10770	7.1
242.11269	0.3
249.11873	0.3
283.11612	0.3
306.07434	0.5
388.11237	0.5
389.22394	0.3
403.15652	1.2
403.23428	4.3
404.17188	1.0
419.39297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07912	0.6
53.35258	0.7
57.03312	2.8
58.00458	0.9
58.02559	1.5
58.02847	27.7
59.01250	58.9
65.00183	0.8
66.60110	0.8
69.36557	2.7
69.36988	4.2
70.02853	19.6
71.01253	20.9
71.02338	0.9
71.04877	1.0
72.99179	2.3
73.02814	3.5
81.03334	0.8
83.01264	2.7
83.04885	0.9
84.04401	1.5
85.02822	7.3
85.26705	0.7
87.00750	2.3
87.05489	1.9
89.02319	16.3
93.03334	3.1
95.01274	2.3
95.02393	2.6
96.00787	20.0
96.95904	3.8
97.02802	0.9
97.06471	1.3
98.20496	1.3
99.00767	1.2
101.02328	14.5
107.01261	1.4
107.04958	0.9
109.02804	3.5
111.01900	1.0
111.04391	1.5
111.05518	4.6
112.03933	4.4
113.02324	7.5
113.03449	19.7
114.01854	27.6
119.03391	5.8
119.04864	1.1
121.02856	2.7
125.02369	1.3
129.06560	6.0
131.04515	40.9
135.04401	2.2
137.02313	1.1
137.09576	0.8
143.03349	1.3
149.43040	0.8
150.98235	0.9
151.00273	3.2
151.07576	1.2
152.01082	1.5
152.49069	0.7
155.03293	1.7
155.04532	25.4
159.02913	0.8
159.11679	3.7
160.91724	0.6
161.04456	5.7
161.09633	4.5
164.13243	0.8
165.09093	0.8
167.10699	4.7
173.04390	1.6
173.05615	13.2
173.70799	0.7
177.12756	5.1
178.99756	2.3
179.03468	1.3
179.05545	1.8
187.07549	1.3
191.05565	7.2
192.05910	0.9
197.04567	0.8
203.10709	4.1
207.05003	1.5
209.11728	3.0
211.07552	0.7
217.79042	0.7
221.11763	12.8
222.12149	0.8
225.14893	1.6
226.14516	1.5
227.12845	5.5
239.12872	1.3
268.15582	2.3
269.00955	2.0
285.02307	1.5
286.16589	28.1
286.19772	1.4
287.16986	1.7
290.51779	1.3
299.02032	3.8
299.52341	1.5
300.02570	1.7
323.16183	2.4
326.91470	0.8
340.17703	2.7
341.17139	4.1
357.19278	0.9
383.18216	17.5
383.22775	1.5
384.17206	3.2
401.19144	100.0
402.12097	0.9
402.13962	1.1
402.19388	12.9
419.03973	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	401.1815
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
53.80151	0.4
53.97530	0.4
55.01748	1.1
57.03319	2.1
58.00452	1.3
59.01250	32.1
59.49676	0.4
60.01580	0.4
65.00183	1.8
67.01770	0.5
68.99693	0.8
69.03352	0.6
69.52556	3.0
70.03599	0.4
71.01253	19.8
72.01619	0.4
72.99185	2.2
73.02815	5.5
80.04933	0.5
81.03308	0.6
83.01254	4.8
85.02818	8.8
87.00775	2.1
89.02314	8.1
93.03349	2.1
95.01275	2.2
96.95883	1.8
97.06451	0.9
99.00730	2.1
101.02316	16.2
103.71157	0.5
106.06509	0.9
107.01286	1.6
109.02842	1.0
109.06460	0.7
111.00750	0.7
113.02316	7.0
116.90624	0.5
119.03378	2.0
121.02810	1.9
121.06459	2.1
122.06014	0.5
122.67458	0.4
123.08041	1.8
125.02323	1.9
125.59020	0.4
129.01897	0.5
132.04454	4.2
134.06017	6.4
135.04411	1.6
139.03918	0.6
144.04454	0.7
149.02321	0.6
150.05489	1.5
151.00266	4.5
152.01031	0.7
159.02892	0.6
161.02328	0.6
161.04489	1.5
161.09554	0.6
162.05510	1.7
169.01334	0.5
169.58401	0.4
173.04469	3.1
177.12746	3.9
177.30817	0.4
178.99684	2.1
179.03447	0.8
183.10219	0.4
191.05559	5.2
192.05936	0.8
195.13759	2.1
207.04927	0.6
221.11797	3.6
227.11821	0.6
239.12914	0.6
251.11917	1.1
269.00867	3.3
269.12772	1.1
279.11356	5.0
280.11746	0.5
285.02197	1.5
285.52441	0.5
290.51807	3.0
291.02039	1.1
297.09305	0.8
297.12479	7.9
298.12711	0.8
299.01929	4.1
299.52237	0.7
300.02698	1.4
339.13611	2.8
339.17142	0.6
357.14410	2.5
381.05353	1.2
401.18143	100.0
402.18512	10.6
402.23279	0.8
419.04001	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	401.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26754	7.0
59.01241	93.4
70.97655	19.7
71.01250	81.1
72.99178	18.4
75.00755	14.2
85.02818	38.3
87.00751	20.4
89.02306	77.9
99.00748	11.1
101.02328	30.0
107.04930	13.7
113.02332	51.3
119.03389	19.7
123.04391	13.2
133.02881	8.6
151.03906	16.6
179.05516	26.9
249.06120	28.5
267.07208	60.8
295.08194	8.3
341.10962	82.3
401.10834	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	401.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50892	0.8
59.01249	94.5
60.01576	1.3
60.20259	0.9
64.03749	0.8
67.51862	0.9
68.99681	9.8
69.43040	3.2
69.43475	4.0
80.04920	10.9
92.04945	1.4
94.06500	2.9
95.01268	1.2
104.04949	3.0
106.06514	8.2
108.04422	3.2
110.02290	1.1
116.04866	1.2
118.06517	2.0
120.04461	1.7
121.02826	2.9
122.05999	9.3
123.04395	3.1
130.06480	1.2
132.04445	67.0
133.04807	1.9
134.06009	100.0
135.04378	1.1
135.06274	4.2
144.04480	10.7
146.06039	0.9
148.07594	1.4
150.05515	23.6
152.07141	1.0
158.06050	5.1
162.05519	26.4
175.08716	2.6
176.07068	1.3
194.08167	4.0
199.12350	3.8
211.08682	1.8
223.12268	1.1
227.11835	8.5
235.08742	2.5
236.09401	1.5
237.10292	1.0
239.08350	1.5
241.13417	2.4
249.06686	2.0
249.10390	1.0
250.10997	1.2
251.11861	20.5
252.12257	2.3
255.11382	2.5
263.08240	1.2
264.09021	3.7
269.12924	16.6
270.13358	2.0
279.11383	77.0
280.11649	7.7
297.12433	84.8
298.12775	8.8
315.13275	1.0
330.88327	1.1
339.09363	1.6
339.13489	31.2
340.13980	4.8
357.14584	26.3
358.14981	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	401.1815
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
53.92890	0.3
55.01752	2.7
57.03320	3.0
58.00469	1.4
59.01251	33.1
60.01579	0.6
67.17696	0.3
69.03303	0.5
71.01254	23.4
71.44737	0.6
72.01575	0.5
72.71282	0.2
72.99184	1.9
73.02821	5.8
73.03230	0.3
75.00771	0.4
83.01256	5.2
85.02819	10.0
85.99962	0.6
87.00754	1.1
89.02313	9.2
90.02679	0.3
93.03343	0.9
95.01263	2.2
96.95868	0.5
99.00742	1.7
101.02320	16.6
104.72935	0.3
109.06448	0.7
111.00748	0.5
113.02328	7.3
119.03399	2.3
121.06461	2.7
123.08059	2.1
129.01778	0.3
135.08022	0.4
137.02330	1.0
149.02370	0.3
159.02875	0.4
161.04469	1.2
161.09564	0.5
164.67603	0.3
175.11168	0.6
177.12773	4.1
194.38718	0.3
195.13805	3.0
219.14003	0.4
221.11757	5.4
239.12816	0.6
358.77628	0.3
401.18134	100.0
402.18457	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.9
58.00808	0.8
59.01245	13.2
68.99670	1.1
69.03310	1.6
71.01252	17.3
71.33539	1.0
72.99178	3.9
73.02822	1.5
75.00347	1.4
75.00744	15.0
80.96391	1.1
83.01264	1.0
85.02818	19.2
87.00770	6.7
89.02317	3.9
91.03906	0.8
93.03327	1.5
95.01280	4.5
99.00742	8.6
103.00257	1.9
106.04152	1.7
107.04909	11.1
108.02036	1.1
109.02863	1.2
111.00751	1.2
113.02326	25.9
115.00231	1.6
117.01803	2.5
121.02843	2.2
123.04393	4.0
129.01840	1.7
129.44334	0.9
133.02850	7.2
149.04475	1.2
151.03905	17.2
157.01225	1.3
175.02338	2.4
191.05554	1.4
207.04967	1.1
225.07489	0.9
231.05075	2.5
242.85013	0.8
249.06126	29.3
250.06396	1.3
267.07190	56.1
268.07535	2.7
304.83710	0.8
341.08902	0.9
383.09723	3.2
401.10873	100.0
402.11169	10.0
416.02557	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	400.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44263	0.3
59.01249	5.0
67.01759	0.5
69.53609	2.5
71.01256	2.7
73.02809	1.3
74.02338	0.3
75.00750	1.1
83.01261	0.5
83.04882	0.8
85.02814	3.4
87.00732	1.2
89.02315	0.6
89.03536	0.3
93.03343	2.6
96.95875	1.1
97.06464	0.6
99.00774	0.4
101.02333	1.4
104.03414	0.8
106.06504	91.9
107.06846	3.6
109.02821	0.4
111.00748	0.4
111.04375	1.0
113.02305	0.8
118.97964	0.4
121.86723	0.3
129.01828	0.3
132.04453	0.8
133.02846	1.0
134.03600	0.9
134.06020	1.0
135.04443	3.6
136.04771	0.4
137.02336	0.5
143.03352	0.4
150.05510	100.0
151.05879	4.5
155.03400	0.8
161.02393	0.5
161.04343	0.4
162.05524	0.3
173.04475	3.8
174.04756	0.3
176.03860	0.4
177.01823	0.3
178.02658	0.3
179.03374	2.3
179.05669	0.3
191.05551	10.1
192.05956	0.7
200.04756	0.4
204.06038	0.9
211.07536	0.5
217.05031	0.4
229.08627	1.0
238.10622	0.3
255.06485	0.5
279.11389	0.7
281.09409	0.4
297.12579	0.5
311.07242	0.3
313.07996	0.5
313.58438	0.4
336.51370	0.4
341.10577	0.4
356.13477	4.4
357.14066	0.9
377.16394	0.4
400.12436	12.3
400.23981	0.4
401.12735	1.6
401.17581	0.6
401.25891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.5
57.03328	1.5
58.00462	3.6
59.01249	100.0
60.01586	1.3
71.01251	44.7
71.57487	0.3
72.01602	0.8
72.99179	5.2
73.02811	2.1
75.00735	0.4
79.44965	0.3
83.01245	2.9
83.04900	0.5
85.02820	10.7
87.00748	2.2
89.02314	45.3
90.02655	0.4
91.05402	0.4
93.03342	0.7
93.06976	0.5
95.01261	3.8
96.95900	1.3
99.00758	0.8
99.04338	0.4
101.02322	30.1
102.02679	0.7
113.02324	17.9
119.03384	22.1
120.03806	0.5
121.02863	0.4
121.06454	0.5
131.03410	2.0
133.10170	0.6
134.03641	0.6
135.04414	0.9
142.93535	0.3
143.03403	2.5
149.04485	1.0
149.60347	0.3
159.08083	1.3
161.04498	2.6
171.10178	0.8
174.23280	0.3
175.11192	34.9
176.11511	2.4
179.05518	3.4
191.05559	0.9
192.06551	0.4
193.12228	2.5
219.10217	2.6
226.90431	0.4
229.04523	0.4
251.11435	0.4
280.09924	0.3
281.08783	1.1
287.45578	0.4
339.13889	0.4
340.13660	0.3
355.17242	0.5
398.31741	0.4
399.16580	57.8
400.16925	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38266	0.5
58.79544	0.5
59.01250	100.0
60.01588	0.9
67.01759	0.8
70.98335	0.9
70.98664	0.5
71.01262	1.3
73.02819	1.1
74.02349	1.3
83.04918	0.5
85.02813	2.6
87.00738	2.6
89.02355	0.6
93.03329	3.1
96.95876	3.6
101.02336	0.9
102.98452	0.6
104.03391	1.1
111.00761	6.1
111.04424	1.8
113.02384	0.6
133.02827	1.2
134.03645	1.0
135.04417	5.4
137.02354	0.8
161.02428	0.8
167.50920	0.6
173.00787	0.7
173.04485	4.5
177.01985	0.7
179.03448	2.4
181.12355	0.6
184.03862	0.5
186.88162	0.5
191.05545	16.0
198.72842	0.6
207.05104	0.7
217.04890	0.5
227.03554	0.6
255.06544	0.6
281.10339	0.9
283.53644	0.5
381.19284	0.6
399.15601	1.6
399.21661	2.4
399.65051	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.5
57.03316	7.1
58.00443	2.9
59.01251	100.0
60.10008	2.1
60.36843	1.7
66.57285	1.8
69.92673	10.4
71.01252	48.4
72.99191	2.5
73.02825	3.1
83.01246	2.7
85.02830	13.9
87.00726	4.5
89.01818	3.2
89.02319	42.1
95.01250	4.0
96.95873	2.5
99.00745	2.8
101.02313	27.3
113.02311	20.9
113.45964	1.9
119.03374	21.4
123.08038	2.7
129.45029	2.0
131.03439	1.8
143.03381	3.3
175.11197	48.7
176.11549	3.1
179.05473	2.9
188.58900	1.9
191.05479	2.4
191.86778	2.5
193.12231	3.7
195.13800	5.6
199.72527	1.9
219.10220	3.3
239.12793	9.3
278.01260	2.2
399.16553	51.2
400.16916	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37519	2.1
55.01748	5.3
57.03319	6.3
58.00462	4.4
59.01251	59.8
69.33821	8.3
69.34251	11.6
71.01249	61.7
71.11208	1.9
72.99162	4.0
73.02824	20.6
83.01252	12.8
85.02824	30.7
85.99960	2.9
87.00757	4.5
89.02316	29.7
93.03329	2.1
95.01263	3.8
96.95892	3.8
97.01673	2.3
99.00769	11.4
101.02328	62.2
111.00748	4.1
113.02328	29.3
119.03391	13.7
131.03433	2.6
133.06438	2.6
134.07283	2.8
159.02885	3.9
161.04465	10.1
162.03131	4.5
173.04535	4.9
175.11203	100.0
175.12741	4.8
176.11536	5.7
177.05472	8.3
191.05542	6.6
193.12259	84.3
194.12575	5.0
195.06500	4.9
207.04980	2.7
219.10164	4.4
355.17590	45.1
399.11856	3.5
399.16589	44.7
400.17035	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	399.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98508	0.9
55.01757	1.0
57.03326	1.0
58.00453	1.3
59.00948	1.2
59.01250	23.6
67.01764	1.4
71.01254	16.4
71.56953	1.1
72.99187	3.9
73.02833	2.5
78.95780	0.9
79.95632	0.9
82.27612	0.7
83.01261	1.9
85.02824	9.0
87.00744	2.9
89.02316	12.1
93.03327	4.6
93.06960	2.1
94.03682	1.1
96.95892	16.0
99.00746	2.0
101.02328	8.0
109.02832	2.3
111.04408	1.1
113.02321	5.0
119.03372	2.9
119.04887	1.4
127.03892	0.9
133.10110	1.5
135.04391	1.9
137.02315	0.9
145.02858	1.2
159.08020	4.1
160.08870	1.0
161.04564	1.4
171.10181	1.2
173.04497	4.0
173.09616	1.2
174.04813	1.2
175.11198	100.0
176.11528	7.0
191.05542	17.1
192.05774	4.0
193.12283	6.0
207.04955	2.8
219.10182	3.1
221.41724	1.1
355.17566	2.0
399.12515	4.1
399.16974	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	398.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
69.33187	25.9
71.01247	4.4
85.02850	3.3
85.75285	2.6
86.93266	2.6
93.03331	2.7
95.01215	2.6
96.95920	5.3
98.19826	5.9
98.22639	2.5
99.00755	3.5
111.04417	17.2
127.07563	4.2
191.05527	5.1
230.93974	3.2
243.14883	3.3
286.31229	3.0
354.19092	5.3
399.23917	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	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59712	1.0
55.01759	2.1
55.92840	1.0
57.03317	3.6
58.00465	2.0
58.02837	2.5
59.01249	57.4
64.06569	0.9
64.97744	0.9
67.01740	2.0
69.03342	1.3
70.02850	2.4
71.01253	47.9
71.57091	1.2
72.99182	3.6
73.02817	9.5
73.49223	1.0
75.00752	1.5
75.99836	1.0
78.95806	1.5
79.95575	1.1
83.01251	5.0
83.04910	1.6
84.30479	1.0
85.02330	2.0
85.02824	25.9
85.63529	1.0
86.00024	1.2
87.00764	5.9
89.02316	27.5
91.05405	9.6
93.03339	3.6
93.06983	1.1
95.01264	4.8
96.00788	3.2
96.95908	8.3
97.06474	1.0
99.00749	3.6
99.04437	1.0
101.02317	31.9
103.00262	1.2
109.02818	1.1
111.00758	1.9
111.32561	1.0
113.02331	28.8
113.03515	1.4
114.01890	5.8
117.03351	3.9
118.50463	1.1
119.03384	8.3
120.80603	0.9
121.02828	4.8
122.03622	1.8
129.10275	2.5
131.03508	1.2
131.04526	6.6
133.10075	2.2
135.04414	16.5
137.02283	1.0
143.03314	2.3
145.06487	1.5
152.99519	1.4
159.02879	2.2
159.08069	4.5
160.08893	6.5
161.04471	14.3
167.10651	1.4
171.10202	9.0
173.04448	3.7
173.09598	2.4
175.11195	100.0
176.11508	5.1
179.03455	1.7
179.05525	1.4
191.05518	12.9
193.12207	5.5
195.06511	1.1
205.07156	3.4
206.97192	1.1
219.10187	16.4
224.17714	2.2
239.12766	1.2
242.18565	6.3
249.06215	1.5
251.11339	48.5
252.11650	2.2
254.83484	1.0
263.07697	9.2
266.18652	2.1
281.08762	20.0
284.19763	5.8
289.40680	1.0
399.12088	11.9
399.16727	8.6
399.22504	8.6
411.13147	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	397.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.7
57.03320	4.3
58.00466	1.6
59.01249	100.0
69.03326	1.4
71.01254	29.7
72.99181	2.0
73.02814	10.6
75.00746	1.1
83.01253	8.9
85.02819	21.4
85.99988	1.0
87.00755	2.2
89.02328	3.4
94.02934	0.7
95.01259	3.0
96.95897	2.8
97.02844	1.1
99.00756	2.9
101.02322	19.6
109.31356	0.7
111.00767	1.6
112.01525	3.7
113.02326	12.1
119.03352	1.2
120.99507	1.1
121.06487	2.1
123.08082	1.5
125.02328	1.0
133.06514	2.1
134.07283	2.4
135.08040	0.8
148.01547	0.8
149.09618	1.0
151.06445	0.7
159.02879	1.2
161.04466	2.0
192.00528	0.9
193.12265	65.8
194.12602	4.7
201.36469	0.7
229.33072	0.8
235.13449	0.9
252.75684	0.6
263.12665	0.7
289.14694	0.8
300.16016	0.6
307.15433	2.0
337.16553	99.7
338.16919	11.8
355.17596	69.2
356.17975	8.1
397.07559	1.5
397.18689	2.6
408.19492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74582	2.1
59.01252	8.6
60.69225	2.0
69.85965	2.1
78.95770	14.6
79.95605	14.3
80.96406	4.8
95.95107	3.7
96.95889	100.0
96.96828	4.7
122.97493	4.7
124.36201	2.3
144.23579	2.4
152.99498	6.2
160.75114	2.1
197.11755	5.1
235.30585	2.2
239.28918	1.9
241.01164	8.2
241.10805	4.3
255.23376	10.3
279.23325	4.0
299.20169	5.3
324.25378	2.1
339.16180	2.3
375.19754	5.3
391.22537	2.2
397.22760	85.0
397.69974	3.5
398.19348	4.0
398.23441	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	397.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24365	1.0
55.01769	1.2
57.03320	4.7
58.02854	1.3
58.10138	0.9
59.01251	86.8
69.03320	1.2
69.31583	7.1
69.32005	2.7
71.01250	22.2
71.01611	1.6
72.99179	2.6
73.02821	5.8
73.42067	1.0
83.01258	8.6
85.02826	21.6
87.00759	3.0
93.03347	1.8
95.01266	4.0
96.95893	8.7
98.19738	2.4
99.00767	1.6
101.02328	9.7
109.02843	4.0
112.01551	5.4
113.02331	12.8
121.06480	3.7
123.08071	1.4
124.01584	1.5
125.02302	1.5
125.07094	1.2
127.05019	1.8
128.03413	1.2
129.07529	1.0
134.07240	1.7
135.04422	4.2
142.02628	1.0
145.06111	4.3
153.01855	4.4
161.04518	1.3
173.04552	2.6
191.05565	3.3
193.12259	47.2
194.12611	2.3
208.65437	1.0
280.75858	1.0
291.11032	1.0
307.15570	1.9
337.16556	100.0
338.16916	10.4
339.98898	1.1
355.17648	29.2
356.17941	3.3
397.19427	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	395.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38696	0.7
52.24704	0.6
53.01973	0.7
59.01239	3.3
71.01242	0.9
71.28841	1.3
72.38292	0.6
74.77395	0.7
83.47369	0.7
84.67919	0.6
89.02258	0.7
93.21740	0.6
100.68553	0.5
117.01849	0.6
132.73697	0.7
152.28510	0.6
198.84152	0.7
277.21704	100.0
278.22040	11.5
395.24319	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	397.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46468	1.4
55.01749	5.2
57.03302	2.5
58.00467	4.3
59.01250	100.0
69.03312	4.7
71.01249	92.7
72.99166	5.9
73.02817	16.5
75.00742	2.2
81.03330	2.5
82.49271	1.7
83.01266	9.9
83.04923	1.8
85.02827	19.4
85.99984	1.9
87.00735	14.9
89.02316	80.5
91.03860	2.7
95.01262	4.5
97.02839	18.9
98.20560	3.5
99.00763	5.5
101.02319	72.4
102.02621	1.8
103.03870	2.7
108.98026	1.6
109.02825	1.8
111.04404	5.5
113.02323	37.9
115.03935	2.4
119.03386	29.5
124.01527	1.9
125.02338	24.6
127.03947	2.3
133.04935	4.3
139.03883	3.5
141.01802	1.9
143.03442	9.7
149.04514	2.4
161.04469	17.1
169.04977	2.7
179.05537	4.7
185.04390	1.6
217.07114	2.1
221.06624	3.4
226.45238	1.6
227.06665	1.9
232.97461	2.8
235.08209	25.7
263.07455	2.6
300.13739	2.0
305.08661	2.2
379.12613	2.9
397.13480	81.7
398.13855	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	395.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19602	0.7
54.12258	0.7
55.01754	0.9
57.03323	100.0
58.03655	1.4
59.01250	84.8
66.36568	0.8
69.99928	1.0
71.01250	16.2
71.56221	1.6
72.99158	1.3
73.02818	6.8
81.03329	1.7
83.01255	3.4
85.02824	11.1
87.00740	2.1
89.02319	2.3
93.03333	2.6
95.01247	1.4
96.95901	1.6
97.02883	0.9
99.00753	3.2
99.04395	81.3
100.04734	1.8
101.02322	33.5
102.02679	1.0
113.02342	8.1
119.04855	1.0
120.00942	0.8
123.67025	0.8
125.02337	23.2
135.04369	1.1
143.03380	2.3
159.02843	2.2
161.04445	6.6
173.04492	4.3
174.04808	1.6
191.05591	6.1
192.05807	2.0
205.03336	0.9
220.06024	1.5
221.06325	2.6
238.97971	0.9
251.11339	28.5
252.11755	1.5
293.12479	2.2
333.15591	1.5
335.17133	1.2
395.15561	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	395.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	97.8
59.01250	100.0
69.70882	19.0
71.01250	27.7
72.99174	4.3
73.02814	8.9
75.00777	3.1
81.03286	3.5
82.19181	3.4
83.01263	4.7
85.02847	14.3
87.00756	4.4
89.02297	4.9
93.03336	8.4
96.95919	5.6
99.04397	80.5
101.02306	37.3
104.25114	3.5
113.02338	13.9
125.02329	22.9
128.90990	4.7
143.03381	4.6
144.50244	3.1
161.04460	7.9
191.05571	9.2
192.05751	4.6
251.11314	33.6
318.49188	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	395.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70553	1.2
57.03322	100.0
59.01249	97.9
60.01591	0.9
69.43359	0.9
69.95170	2.9
69.95573	2.0
71.01250	25.4
73.02815	8.9
80.32181	1.1
83.01277	5.8
85.02819	13.2
87.00758	1.1
89.02333	5.4
95.01244	1.5
98.99590	1.0
99.00753	3.6
99.04393	89.3
100.04712	1.4
101.02315	44.0
113.02320	12.3
119.03386	1.2
125.02332	36.6
143.03392	3.1
159.02928	3.5
161.04462	16.6
162.43297	1.5
179.03584	1.1
233.10258	2.7
251.11327	64.4
252.11604	4.6
293.12421	14.8
294.12515	1.6
333.15622	3.2
358.02130	1.1
363.45322	1.2
395.15475	8.7
396.16074	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	394.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09837	1.2
57.03305	1.4
59.01246	10.9
60.99144	1.7
66.03345	2.4
67.01762	9.9
69.03326	2.9
70.02329	1.4
71.01245	5.4
72.99178	15.7
81.03306	2.4
83.04902	1.4
85.02823	14.5
87.00743	12.7
93.03329	58.7
94.03641	1.3
96.95898	3.4
98.02337	5.2
98.19773	4.0
99.00735	1.7
106.06479	1.9
107.04893	13.4
109.02834	2.9
111.00758	1.5
111.04404	9.8
113.02341	2.2
119.04875	1.4
121.02818	5.1
127.03912	3.2
130.06508	2.9
131.03606	1.9
131.04941	2.1
132.04453	1.5
134.03632	1.4
134.06053	1.5
135.04407	19.5
137.02309	2.8
140.05048	1.4
144.04454	3.0
146.06004	2.3
147.04428	13.7
148.07515	3.9
149.05980	14.5
155.03404	4.9
158.06023	24.5
159.06395	2.2
173.04462	70.8
174.04768	1.9
176.07072	8.7
184.03978	1.5
191.05536	100.0
192.05807	5.7
202.05040	14.9
220.06084	72.5
221.06425	4.8
229.48676	1.7
237.34254	1.2
272.07568	3.3
394.11411	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	394.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82596	0.7
57.03325	1.6
59.01247	8.3
60.99169	1.8
66.03353	3.1
67.01754	5.4
69.03328	1.4
71.01257	3.7
72.99181	12.6
73.02834	1.3
79.54641	0.9
79.95602	10.0
80.53180	0.9
80.96403	1.5
81.03323	1.7
83.04899	1.7
85.02820	12.2
85.16338	0.8
87.00746	10.3
93.03333	34.4
94.03689	1.3
96.95887	37.2
98.02365	3.0
98.95461	1.2
107.04895	9.7
109.02841	2.3
111.04431	5.4
116.04969	0.9
119.04909	1.2
121.02831	3.1
121.70350	1.0
127.03905	3.6
128.03433	1.0
130.06523	1.3
131.04942	1.6
132.04434	1.1
134.03618	1.0
135.04385	5.7
144.04434	1.9
146.06021	2.1
147.04422	11.2
148.07585	2.8
149.05981	17.1
155.03372	1.6
158.06001	7.8
160.02628	1.1
160.04004	1.5
171.02922	1.3
173.03070	1.4
173.04485	18.1
174.05357	1.2
175.03841	1.7
184.03952	2.3
191.05547	100.0
192.05858	4.8
192.27847	1.0
202.05069	9.2
220.06102	46.3
221.06381	1.7
272.07764	2.7
376.10309	2.9
377.10645	0.9
389.11349	1.0
394.11426	20.3
395.11627	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	35.3
61.98716	6.7
69.03308	2.4
69.53694	1.4
70.06255	1.5
71.28631	2.9
99.07987	2.0
99.92471	2.2
113.09589	2.8
121.10152	1.3
123.22524	1.5
129.09114	4.2
138.94711	1.5
139.11159	7.2
147.11710	4.4
151.90709	1.6
163.11263	2.4
165.12761	6.7
169.12320	2.6
171.10229	5.2
180.01859	1.5
181.12312	4.7
182.92882	1.6
193.08435	5.7
193.12251	3.3
197.11806	11.9
199.13341	2.8
211.13364	18.6
215.10506	5.5
217.00258	5.2
233.11565	85.6
234.11888	5.8
251.11357	7.4
279.10693	3.2
293.12463	13.2
293.21191	16.5
294.12668	2.6
311.22266	100.0
312.22577	7.4
315.19351	3.4
333.20334	6.4
388.87442	1.6
393.22232	14.5
394.23001	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	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01584	0.9
61.37850	0.4
66.36816	0.3
67.68475	0.3
69.37736	3.7
69.56297	0.4
71.01248	8.7
72.99181	1.2
73.02821	0.9
76.83096	0.4
78.95779	1.1
83.04877	0.4
85.02816	2.4
87.00764	0.4
87.04401	2.1
89.02313	10.9
89.02822	0.7
93.03329	2.5
95.01270	0.4
96.95869	2.0
97.06467	0.6
99.01939	0.4
101.02316	5.1
109.02873	0.4
113.02311	4.1
119.03394	3.7
119.04928	1.8
133.02846	0.4
135.04459	1.4
137.02342	1.1
143.03416	1.1
143.04857	0.5
143.10632	0.7
145.02893	0.5
146.03615	1.2
161.04486	1.5
163.03949	1.1
173.04440	1.9
179.03336	0.6
179.05557	2.1
191.03873	0.4
191.05508	2.2
204.57930	0.4
214.06314	0.4
251.07111	1.9
252.07944	1.2
275.09482	0.4
305.11862	0.7
331.13589	0.5
349.14609	1.7
351.20297	0.9
393.13135	0.5
393.18292	0.8
393.22964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03322	2.1
59.01252	100.0
60.01599	1.5
66.03352	0.7
67.01740	0.9
67.56703	0.5
69.03332	0.6
71.01258	10.1
71.04879	0.6
71.57038	0.9
72.99170	2.9
73.02834	3.1
80.04945	1.0
81.03349	1.0
82.33741	0.5
83.01267	1.9
83.04895	2.3
85.02826	8.3
87.00754	3.2
87.04357	0.6
89.02340	2.1
93.03338	8.2
95.01295	1.3
96.95891	4.6
98.02358	0.9
99.00780	1.7
101.02327	6.2
101.05975	1.1
107.04933	1.7
111.00794	0.8
111.04434	1.9
111.08044	0.5
113.02325	5.5
119.03359	0.6
119.04916	1.3
121.02842	0.7
122.06039	1.4
123.08064	0.7
123.75380	0.5
127.03912	0.6
132.04449	1.4
134.56172	0.5
135.04454	1.0
137.02399	0.8
137.97903	0.8
143.03462	0.5
147.04454	2.3
148.03941	1.2
149.05994	2.9
151.03838	0.5
153.01971	0.6
155.03465	0.6
158.06075	2.0
161.04501	2.1
163.03922	0.7
173.04465	6.4
175.03903	0.8
176.03410	0.9
181.79350	0.5
182.27113	0.5
184.03999	0.9
189.14966	1.1
191.05540	25.6
192.03078	1.5
194.04485	0.6
202.04996	3.6
220.06116	11.4
220.08124	0.9
272.07828	1.0
333.19196	7.6
334.19739	0.6
347.74335	0.5
351.20276	7.3
351.24405	0.6
373.65695	0.5
375.11795	0.8
376.10416	1.1
393.13031	0.6
393.17514	0.7
393.28601	6.1
394.11484	6.3
394.29181	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	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92808	1.2
56.39442	1.1
57.03334	2.1
59.01249	100.0
60.01561	1.3
70.11837	3.0
70.12235	2.9
71.01253	7.8
72.99182	3.1
73.02810	3.2
78.95790	1.6
79.95621	2.4
83.04886	3.2
85.02831	5.6
87.00778	1.9
87.04390	2.2
93.03339	7.3
96.95894	12.9
97.06463	5.6
98.19867	1.7
101.02336	3.0
108.01439	1.3
109.02818	3.0
111.04353	1.6
113.02299	2.1
114.01814	1.2
119.04918	3.4
133.02884	1.8
134.03609	2.1
135.04398	6.2
137.02338	1.7
143.07031	1.5
159.04457	2.0
163.03903	3.2
163.11208	1.7
173.04456	10.7
178.02570	1.6
191.05527	16.1
209.11766	74.5
210.12099	5.0
213.05574	1.7
226.06207	2.1
227.12868	4.8
235.06136	2.3
253.08821	1.4
254.09218	1.4
264.07755	3.2
276.07785	3.0
279.06769	1.8
305.11996	3.5
305.15961	2.5
349.14676	3.9
393.11691	2.1
393.17343	2.2
393.27972	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	391.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.5
59.01252	13.0
69.03320	0.8
69.37721	3.1
71.01257	5.4
71.04897	0.8
72.99164	0.7
73.02820	2.8
75.00742	3.0
79.21835	0.3
79.95587	0.5
83.01252	0.7
83.04906	0.4
84.02065	0.5
85.02809	4.4
87.00732	1.5
87.04385	1.3
89.02316	1.7
93.03336	1.3
95.01263	1.3
96.95895	1.9
97.06460	1.6
99.00730	1.8
99.04380	0.4
101.02311	3.2
109.06443	0.6
111.04359	0.4
111.08060	0.4
113.02341	4.9
115.00196	0.6
117.01800	0.6
118.97932	0.7
120.99600	0.5
123.08076	0.4
125.09632	0.4
127.07555	0.8
133.02728	0.4
135.04401	1.2
135.98265	0.4
137.02304	0.4
139.11166	1.5
141.09113	18.3
141.12750	0.8
142.09401	0.8
145.08572	0.6
157.12262	1.1
169.12218	2.2
173.04489	1.0
175.02484	0.7
176.03520	0.4
179.03447	0.7
179.10713	0.4
184.03717	0.5
185.11752	5.6
186.12076	0.4
187.13298	3.5
191.05510	1.5
197.11603	0.4
209.15359	1.4
213.11232	0.6
215.12817	14.7
216.13277	1.0
225.14977	0.4
225.30844	0.5
227.16515	3.2
243.15987	5.5
245.17662	0.6
249.06126	2.4
249.18547	0.4
264.91547	0.4
265.18243	0.3
267.19864	0.4
269.17621	0.8
285.20752	1.3
295.50037	0.4
303.16220	1.1
331.17532	2.5
345.22885	0.6
349.18594	6.9
350.18884	0.5
373.14737	0.5
373.25836	4.7
374.26129	0.6
391.15549	12.0
391.20035	3.8
391.26981	100.0
392.16000	1.8
392.27338	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	391.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.8
59.01252	9.4
69.03320	0.6
71.01246	2.4
71.04906	0.7
72.99172	0.6
73.02828	1.8
74.98957	0.5
75.00735	0.8
78.95830	0.3
83.01265	0.4
83.04900	0.5
85.02827	1.5
85.06458	0.5
87.00752	1.0
87.04398	2.7
89.02314	0.5
93.03296	0.4
95.46095	0.3
96.95883	3.7
97.06432	0.7
97.60842	0.3
99.00769	0.7
101.02326	1.4
101.05952	0.4
111.50714	0.3
113.02332	1.5
113.05951	0.4
115.07552	0.3
117.53605	0.3
119.03388	0.3
131.03365	0.4
135.04395	0.9
135.98244	0.6
136.98994	0.5
139.11133	1.4
141.09116	3.5
141.12727	1.5
155.10670	1.3
157.12248	0.9
161.04492	0.7
169.12337	1.7
179.03416	0.5
185.11734	4.6
185.13237	0.5
186.12125	0.4
191.05556	0.9
213.11267	0.5
215.12833	10.3
216.13156	0.7
221.06734	0.6
223.16913	0.8
241.18114	0.5
243.15973	1.2
249.18782	0.5
259.19174	0.3
267.19525	0.6
273.20737	0.4
283.19348	0.5
285.20645	2.5
287.18616	2.2
299.18631	0.3
301.20300	2.5
315.13306	0.3
327.21951	0.4
331.17752	0.5
345.22659	2.0
349.18799	0.6
355.24783	0.6
359.24353	0.6
371.24338	0.9
373.25934	3.6
374.26083	0.6
389.25293	1.1
391.16525	2.8
391.26984	100.0
392.13660	0.7
392.27319	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	391.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
56.72474	0.4
57.03321	4.4
59.01250	16.2
59.80701	0.3
60.73795	0.3
64.72974	0.4
65.16107	0.3
68.57087	0.4
69.03315	1.1
70.71912	1.1
71.01251	5.0
71.04899	0.7
72.99183	0.8
73.02819	76.4
74.03149	1.1
79.95615	1.1
83.01240	0.6
83.04895	0.5
85.02827	3.1
85.06480	0.7
87.00755	1.5
87.04395	1.7
89.02318	2.7
90.98487	0.6
93.03336	1.5
95.01239	0.5
96.95911	2.7
97.06458	2.2
99.00764	0.5
99.08046	2.4
101.02335	3.7
109.02870	0.6
109.06464	1.5
111.08054	1.3
113.02352	2.0
113.09657	0.4
115.07523	0.8
119.03387	1.2
119.04903	0.5
120.99506	0.5
123.08035	4.2
125.09651	0.5
127.07528	1.1
129.09116	3.1
133.02843	0.4
135.04413	3.7
135.08063	0.6
135.98218	0.6
137.02380	0.6
138.06802	0.4
139.11192	1.3
141.08134	0.5
141.09087	2.9
141.12708	0.5
143.10693	0.9
145.08742	0.4
151.11142	0.9
153.09100	1.5
155.10693	1.4
156.05087	0.4
157.12244	0.5
158.09360	1.9
161.04457	1.1
169.12271	1.6
171.10144	0.6
173.04492	1.7
173.11752	0.7
179.03407	1.3
185.11768	1.4
187.13338	3.7
191.05548	3.7
201.11324	0.9
207.05099	1.3
209.15509	0.5
215.12848	2.2
216.13548	0.6
235.16982	0.5
243.15886	0.6
255.06635	0.7
269.12888	0.5
282.08313	1.3
284.03452	0.4
304.07693	1.0
304.58005	0.5
317.23306	11.0
318.23758	1.4
331.17694	1.0
331.24930	1.2
373.25958	2.9
376.88342	0.5
391.19003	2.5
391.27017	100.0
392.27344	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.6
58.00475	1.7
59.01250	79.5
62.42673	1.7
69.03347	2.6
71.01297	3.1
71.57060	2.2
71.57424	2.3
77.15147	1.4
79.95610	7.3
83.04941	1.9
89.46391	1.8
95.04903	2.6
99.92477	2.8
106.97986	3.6
111.08041	43.2
112.95853	2.0
124.00633	15.0
127.07508	2.4
129.09111	5.0
148.00713	2.0
149.09650	1.6
151.11209	8.2
153.12762	3.0
154.20624	1.7
165.12822	5.4
169.12280	12.5
170.07240	1.8
174.99178	10.8
183.13857	2.4
197.11763	100.0
198.12155	4.7
199.13330	5.0
211.13380	6.8
215.10495	3.6
217.00211	43.3
218.00612	3.1
219.09970	95.8
220.10330	6.0
233.11568	40.2
234.11931	3.3
239.58789	1.8
249.13406	4.5
251.11349	21.9
256.62329	1.7
262.11179	23.3
263.20166	5.4
265.18048	3.3
279.10834	2.1
280.86530	1.8
291.19672	20.4
292.19849	3.3
293.12457	25.8
294.12668	3.5
309.20721	88.9
310.21207	10.6
331.18842	31.7
332.19485	3.2
375.18021	4.4
391.19937	18.0
392.21121	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.3
59.01250	37.1
69.03329	2.0
70.15090	2.8
71.01257	1.7
71.04903	0.9
81.03345	1.3
83.04889	1.8
83.13718	0.9
86.23609	0.9
88.68678	0.9
93.03324	3.0
95.04897	2.2
96.95876	1.1
97.02824	5.3
97.06462	1.2
98.20509	1.1
99.92449	1.9
105.03347	3.6
107.04863	1.6
108.80917	1.0
111.04355	1.0
111.08062	6.0
113.09592	0.9
125.09552	1.2
130.56035	0.9
131.80466	1.0
133.02843	14.0
137.02339	1.2
137.09598	2.8
148.05124	1.6
151.07559	2.4
161.02470	1.2
161.05844	1.2
163.11143	4.6
163.32683	0.9
165.09186	1.2
165.12805	7.3
166.01160	3.1
169.12212	0.9
171.10158	3.7
174.99144	4.0
177.01842	1.7
179.08406	1.1
179.14363	3.2
181.12268	2.4
182.13126	1.1
183.13914	1.6
193.08374	3.0
193.15913	2.1
195.10132	1.9
197.11716	8.8
205.03485	2.4
207.10051	5.6
209.11800	1.6
209.15511	1.6
216.98225	1.6
217.00229	17.7
218.00400	1.0
219.10008	12.2
220.10405	1.5
221.11655	1.2
223.13362	2.3
231.10001	1.7
244.10719	2.7
245.11478	1.3
245.19070	3.1
247.09564	1.9
247.20697	5.0
248.10181	6.2
248.20654	1.1
249.10817	2.1
262.11795	2.3
263.20313	1.1
273.18735	1.8
275.12997	1.1
291.19656	47.0
292.19922	5.7
294.09561	2.9
295.16730	1.3
309.20697	68.8
310.20929	5.4
313.14352	2.1
313.17831	21.1
314.18237	2.6
331.18854	100.0
332.19330	13.5
345.17090	7.1
358.18246	1.4
376.18915	3.6
391.21234	29.4
392.21338	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.6
58.00483	0.7
59.01250	100.0
59.69976	0.5
60.01582	1.1
69.56236	4.2
71.01250	6.8
72.99161	0.8
73.02843	1.3
74.80235	0.5
85.02840	1.9
87.00755	1.2
89.02311	6.0
89.02724	0.5
93.03360	0.7
96.95889	1.9
101.02318	4.8
101.06022	0.5
105.11925	0.6
111.00809	0.6
111.50327	0.5
113.02328	2.8
118.97945	0.8
119.03399	3.8
137.02377	0.7
143.03410	0.9
144.71889	0.6
145.61424	0.5
150.87566	0.6
161.04480	1.8
173.04596	0.8
175.15797	0.6
179.05551	1.3
261.21741	0.5
301.83994	0.6
331.17767	0.8
391.19598	1.6
391.27170	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	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.8
59.01249	43.1
69.03338	1.9
83.04922	1.3
86.85900	1.0
95.04893	1.1
97.06425	1.1
98.19760	3.0
99.92425	1.5
106.97851	1.1
109.06478	2.0
111.08035	18.1
112.08436	1.3
119.08534	1.2
124.00598	2.0
127.07549	1.2
127.48650	1.0
147.11688	6.1
150.10904	1.2
151.11227	1.8
153.12720	1.4
165.12801	6.3
169.12257	6.8
174.99152	6.1
193.12267	2.0
197.11765	68.1
198.12122	3.0
199.13330	3.3
211.13354	4.8
215.08618	1.6
215.10437	8.8
217.00243	27.1
217.02328	2.2
219.09962	6.1
229.84801	1.0
233.11549	100.0
234.11900	5.9
237.09734	1.6
249.09790	1.6
249.13463	2.6
251.11400	8.6
252.11502	1.4
259.09509	1.5
262.11279	2.8
263.20239	2.3
265.18179	2.0
279.10776	3.5
291.19690	11.2
293.12436	20.1
294.05267	1.1
294.12787	2.9
309.20712	48.7
310.21011	4.5
313.17847	5.7
331.18744	5.8
332.19424	1.1
391.20609	9.9
392.21338	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01587	1.0
68.49943	0.4
69.27041	3.6
71.01256	0.8
73.02822	0.4
77.95263	0.3
78.95786	0.5
79.95628	0.6
80.39935	0.3
80.96395	1.3
94.97975	0.4
96.95876	0.7
115.05049	0.4
120.78819	0.4
120.90961	0.4
129.82793	0.3
131.24628	0.3
164.07227	0.4
185.02173	0.4
195.13947	0.6
205.12326	0.7
217.00317	1.5
223.13350	5.5
315.13422	0.4
338.49890	0.4
375.13812	0.6
392.15994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
57.03326	7.5
58.00469	0.9
59.01252	33.6
67.01761	5.9
68.99680	3.7
69.03324	2.7
69.17709	0.6
70.67703	0.8
70.89882	0.6
70.90185	0.8
71.01255	27.6
72.99202	1.9
73.02824	13.1
74.03163	0.7
74.98990	1.1
77.49705	0.5
80.02540	0.8
81.86861	0.5
83.01247	3.8
85.02827	33.0
85.99976	1.2
86.03167	1.1
87.00748	9.4
87.04403	2.6
89.02328	4.0
91.03894	2.1
93.03317	3.9
95.01257	6.0
96.95895	6.4
97.02863	1.0
97.06468	1.9
99.00787	0.9
99.08032	1.4
101.02328	5.1
102.98483	1.3
103.00268	2.1
109.02875	0.6
109.06497	2.1
111.00760	5.6
111.04405	1.2
111.08056	1.0
112.01560	1.4
112.59732	0.8
113.02332	38.9
114.02668	1.8
115.07523	0.8
118.98007	0.9
119.03397	1.2
123.08076	3.4
125.02360	1.2
125.05952	0.8
127.07545	98.8
128.07896	3.6
129.01831	3.2
129.09151	0.8
135.04440	4.0
135.08083	1.1
137.02330	0.9
137.09641	0.7
139.00273	3.4
139.11163	1.0
141.09111	1.3
143.03458	1.5
149.09648	1.2
153.09125	1.5
155.10687	1.5
157.01349	2.6
161.04463	2.2
167.10664	0.8
169.12297	1.0
173.04520	3.7
176.03893	1.4
179.03419	1.8
184.75600	0.7
185.11787	1.6
187.06061	1.1
187.13353	1.9
189.04004	1.1
191.05524	6.5
203.26999	0.6
205.07109	17.5
206.07596	0.9
215.12807	1.4
218.01819	0.7
224.44638	0.7
231.05084	1.5
237.09785	1.7
249.06151	5.6
255.06612	0.7
257.32632	0.7
263.07718	23.7
264.08066	1.3
268.45996	0.7
281.08777	37.4
282.08707	2.6
291.06732	0.6
304.07693	1.2
304.57684	0.7
331.17499	1.0
343.25140	0.8
345.26248	0.8
349.18515	2.1
359.13391	1.1
373.25980	2.0
391.16058	58.8
391.26999	100.0
392.16602	7.0
392.27414	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	391.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62437	0.3
55.01758	0.8
57.03323	2.7
58.00464	2.2
58.77163	0.4
59.01247	16.6
66.70603	0.3
69.03323	0.6
69.56889	2.9
71.01253	6.7
71.04883	0.6
72.99197	1.0
73.02818	7.3
81.03335	0.9
83.01273	0.8
83.04903	1.0
83.74208	0.4
85.02819	4.0
87.00758	1.2
87.04395	10.1
89.02320	2.6
93.03348	1.3
96.00807	0.7
96.95914	1.6
97.02837	1.1
97.06480	0.8
98.02391	0.8
98.19794	0.8
99.04387	0.6
101.02319	9.8
109.06471	0.9
111.00747	0.4
111.04442	0.6
111.08112	0.4
113.02345	4.2
113.03491	0.8
118.97991	0.5
119.03426	0.7
120.99551	0.6
123.08051	1.2
125.02289	0.7
125.09618	1.8
127.03870	0.6
130.08662	0.8
131.03404	1.4
135.04430	1.4
135.08046	3.4
137.09616	19.4
138.09998	0.5
139.11223	2.1
143.03418	0.6
151.11189	1.6
155.03447	0.9
155.10683	90.7
156.11018	4.7
161.04448	0.4
167.10677	0.9
169.12267	6.2
173.04459	1.2
176.03932	0.6
179.03418	0.7
181.08630	4.2
185.11757	0.9
187.09679	3.7
187.13391	0.4
191.05573	3.1
197.11790	0.5
199.09689	100.0
200.07153	0.9
200.10020	5.3
201.11244	0.5
211.13524	0.4
213.11259	5.5
214.11662	0.5
215.12737	0.6
231.95459	0.4
233.03935	0.4
241.10779	31.9
242.11038	2.0
243.12299	0.5
260.12805	0.7
271.11786	1.3
272.76917	0.4
295.11710	0.4
301.12918	23.8
302.13354	2.1
331.13873	2.0
331.17477	0.6
349.07175	0.4
349.18729	0.6
357.14645	2.9
373.25943	1.5
374.17355	0.8
391.16492	1.0
391.19531	5.1
391.26990	15.3
392.07919	0.7
392.27277	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	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67583	4.7
59.01252	100.0
61.07091	5.4
70.31982	16.7
81.48302	5.1
127.65804	7.3
162.62883	5.9
224.28352	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	390.1921
Annotation	Roquefortine D
Peak:m/z	Relative Intensity
57.03321	6.3
59.01250	27.3
70.08459	0.6
71.01255	0.9
72.00771	1.9
72.04422	7.8
74.02333	3.0
91.05422	1.8
93.03326	1.3
96.95888	2.0
99.04383	1.3
118.06503	1.2
119.04929	1.0
124.07552	0.8
133.31888	0.6
135.04367	1.4
136.07536	0.6
137.02510	0.6
147.04413	16.8
163.03940	1.5
164.07080	23.7
164.10696	1.8
165.07393	1.3
173.04518	0.6
180.06587	3.2
216.13991	1.0
217.00299	3.2
217.56839	0.7
222.14978	1.6
223.13408	0.9
225.11258	0.9
228.13829	0.8
229.17171	0.6
245.65530	0.6
266.14056	1.2
284.20242	0.7
310.18167	0.8
328.19183	15.4
329.19620	1.5
330.17087	31.6
330.54694	0.6
331.17596	3.0
346.20221	0.8
354.17282	1.4
372.18130	13.0
373.18408	1.2
390.19205	100.0
391.19479	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	389.2545
Annotation	bhos#24
Peak:m/z	Relative Intensity
55.01784	0.3
55.95187	0.3
57.03328	1.9
58.00443	0.4
59.01254	4.6
61.82666	0.3
69.03336	0.5
69.26148	1.8
69.26575	1.3
71.01247	1.0
71.04890	1.2
73.02819	1.1
74.24285	0.3
81.89134	0.3
83.04894	0.9
85.02834	1.6
85.06452	0.9
86.39635	0.3
87.00749	0.4
87.04379	2.7
89.02312	0.8
94.81516	0.3
95.04873	0.3
96.95886	2.1
97.06460	0.7
99.04359	0.3
101.02343	0.9
102.98486	1.2
110.98521	0.3
111.08012	0.3
113.02322	0.6
113.05921	0.3
115.07539	0.3
118.97977	0.5
119.03268	0.3
125.09639	0.9
135.04416	0.5
135.08064	0.6
137.09615	2.8
139.11156	1.8
141.12737	1.0
155.10678	0.6
157.12239	1.8
169.12238	1.2
185.11757	8.1
201.11237	0.5
213.11241	0.4
214.12029	0.7
215.12842	8.7
216.13196	0.4
225.14842	0.3
227.16479	0.6
243.15984	3.3
269.08591	0.3
273.20773	0.6
287.18665	0.8
301.20178	9.8
302.20477	0.9
311.22214	0.6
327.21890	1.4
329.23343	3.8
330.23679	0.5
341.23294	4.4
342.23782	0.4
343.24841	0.6
347.24289	0.5
353.23312	0.4
359.24265	0.9
371.24347	2.3
387.23798	0.3
389.25436	100.0
390.25781	10.9
409.01227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1637
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
54.09829	0.4
54.53717	0.4
59.01250	3.3
68.45854	0.4
69.30779	1.1
69.31195	3.2
79.95607	12.1
80.96384	0.8
89.94827	0.4
96.95886	100.0
97.95851	0.5
99.00729	0.4
110.14915	0.4
133.02791	0.5
134.03650	0.4
178.02670	0.7
185.26212	0.6
189.74892	0.4
205.65245	0.5
217.00197	0.9
239.92371	0.5
257.22507	0.4
284.62918	0.5
291.19565	0.5
309.20731	1.3
370.46384	0.4
389.16348	41.0
389.26981	1.3
390.16699	5.0
391.05466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.5
59.01251	58.7
60.18555	2.3
71.01208	3.2
71.57013	5.0
75.00726	6.0
80.02533	4.2
81.03335	6.2
83.01259	12.2
83.04901	3.7
93.03351	2.6
95.04910	5.1
96.06801	2.6
97.02843	7.3
97.06467	11.6
99.92509	2.4
109.06493	2.9
123.04396	8.7
123.08021	3.4
125.09615	17.2
130.72583	2.6
137.09624	7.9
141.12685	3.1
163.11183	21.1
164.08365	3.4
165.12694	10.5
175.07419	2.7
179.10590	3.1
181.12158	3.2
185.11732	10.2
191.10773	4.8
191.14307	15.4
207.10126	11.4
209.07864	2.5
209.09866	4.9
209.11766	71.4
210.12267	4.9
217.00192	4.9
217.16010	3.2
225.11258	9.7
226.12036	2.4
231.10004	48.5
245.19070	34.9
246.19432	5.1
263.20151	3.8
289.14755	4.8
289.18079	100.0
290.18414	7.9
291.12003	3.4
291.19678	22.7
307.19156	48.6
308.19620	3.3
317.17374	8.0
323.83942	2.6
329.17523	15.6
353.70834	2.7
389.10684	2.7
389.19720	23.3
390.19656	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
64.06145	4.2
69.64487	30.2
71.01266	26.3
71.04928	4.6
73.02823	14.8
74.98966	7.8
83.01250	6.0
85.02827	9.7
87.00767	6.3
88.53573	3.7
89.02295	6.9
93.03348	24.5
95.01254	9.4
96.95857	22.5
99.04369	4.8
101.02347	21.2
108.02052	14.6
109.02843	8.1
113.02338	7.2
115.00271	4.5
117.03350	15.9
118.98013	23.3
119.03399	8.8
119.04922	36.7
121.02853	26.3
122.06006	4.7
123.00800	5.2
123.04417	12.5
126.02045	4.6
126.34647	4.4
131.04909	5.0
131.67488	4.3
133.06758	4.1
134.03627	28.2
135.04436	4.2
136.01558	8.8
137.02359	30.6
139.07468	4.3
145.06520	5.8
146.03676	5.2
147.04408	61.1
148.05223	7.1
149.72350	4.4
150.03159	8.5
151.03911	13.8
151.05043	9.2
155.10635	8.7
159.04416	16.0
161.04469	8.6
161.05965	5.0
162.03123	48.3
163.03894	48.5
164.04648	20.1
165.05441	9.7
175.03906	7.4
176.92403	4.0
177.05493	8.5
178.02623	7.4
181.06218	5.4
191.05489	9.1
191.07066	6.0
192.04225	42.7
193.04893	21.1
199.09882	5.3
207.13913	4.3
211.07274	7.4
225.05276	4.7
225.09125	13.7
227.12866	16.4
241.08524	5.2
251.07141	10.5
252.07951	20.7
253.08719	69.3
254.09193	8.1
255.06079	7.1
257.04541	4.9
267.06790	5.3
267.10248	33.2
268.07269	4.3
268.10895	12.3
269.08096	9.2
269.14011	8.4
272.06982	6.0
281.95926	4.8
283.09836	10.5
285.12457	38.2
286.08325	5.5
287.14932	49.9
301.10794	20.6
329.15891	11.3
345.14560	6.3
356.09061	10.9
357.10016	4.7
389.09027	26.7
389.13577	7.0
389.18008	7.1
389.25592	15.9
401.45499	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	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
71.01260	21.6
73.02843	11.3
88.44659	12.6
89.02313	27.0
101.02347	26.0
161.04527	15.4
165.21387	12.9
245.26096	14.1
253.54034	15.1
255.02934	13.9
315.14276	13.6
369.67667	13.3
387.20374	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	387.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18054	7.4
59.01244	100.0
62.26311	7.1
70.86326	24.4
86.54468	9.7
89.02302	11.0
102.06946	7.5
123.38675	7.6
127.99005	8.0
155.06752	7.7
263.54428	9.8
349.33835	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22580	0.4
57.03310	0.7
58.00442	0.4
59.01250	20.7
60.01574	0.5
60.99228	0.5
65.18996	0.4
69.41845	3.5
70.02843	1.7
71.01229	2.5
72.00784	2.3
72.04420	3.0
73.02809	0.6
74.02343	100.0
74.98974	0.5
75.02686	1.2
83.01238	0.5
85.02834	0.9
86.59642	0.4
86.69521	0.4
89.02317	1.1
91.01777	0.9
93.03343	0.4
96.95901	1.8
96.99208	1.2
98.02354	2.1
98.06004	2.7
98.20481	1.0
101.02325	1.0
109.02826	0.8
109.06490	0.5
110.03191	0.4
110.17664	0.4
112.07573	0.9
113.02310	0.7
116.03422	40.8
117.03816	0.5
118.04996	7.1
118.97994	0.6
121.02842	0.5
123.04389	1.1
123.75355	0.4
124.04760	0.5
134.03642	5.6
135.03946	3.4
135.98312	0.8
145.02890	0.6
146.03571	1.6
147.04311	0.8
148.05130	0.6
149.05960	0.5
155.73593	0.4
157.26797	0.4
158.03647	1.1
159.04459	2.2
160.04767	1.4
160.06065	4.7
161.04535	0.4
161.05948	0.6
161.08557	0.5
161.14763	0.4
162.06355	0.6
163.03877	0.7
165.12668	0.6
173.04506	0.5
173.06023	0.5
191.05649	0.5
193.05005	1.0
194.05392	1.1
209.11740	0.5
225.14925	2.2
227.12834	6.4
241.88718	0.5
264.15939	0.8
266.06146	0.6
266.13907	2.4
267.06308	1.3
268.06943	1.2
269.07669	0.7
269.14047	0.8
281.07870	0.5
282.08557	2.4
282.17081	1.0
283.09329	1.4
284.10141	1.1
284.15118	3.2
285.10852	0.7
287.15057	3.7
295.06027	0.6
296.06491	2.2
308.14963	0.6
310.08337	0.7
311.08743	1.7
326.11304	1.6
326.16068	3.1
326.19489	0.8
328.17514	1.0
344.17123	19.0
345.17477	0.9
370.10025	0.9
370.18771	2.1
388.11511	18.4
388.19742	50.7
389.11694	2.1
389.20471	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	387.2024
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01738	3.5
55.98345	0.9
57.03312	3.8
58.00458	3.8
59.01250	100.0
60.01589	1.4
71.01250	84.0
71.04883	3.5
71.57742	1.1
72.01595	2.0
72.99184	8.7
73.02823	12.4
74.02342	1.8
75.00736	1.4
81.03313	1.2
83.01254	6.9
83.04894	1.6
85.02820	27.1
87.00742	7.0
89.02314	68.3
91.41003	1.0
93.03338	1.5
95.01247	7.7
96.95890	11.0
97.02824	1.8
99.00755	6.2
101.02315	55.3
102.02621	2.2
109.02794	3.4
109.06482	1.4
113.02324	29.0
116.07038	1.4
118.67249	1.2
118.97975	1.1
119.03387	31.3
121.02844	6.8
122.03214	1.2
125.02345	1.3
127.03894	2.4
129.01851	2.4
129.05449	4.7
131.03387	2.2
135.04387	2.7
138.06752	1.2
143.03392	5.1
149.04427	1.9
151.07494	2.1
152.07153	1.6
152.08298	9.7
153.09114	2.1
159.02890	4.8
161.04463	17.3
163.11212	2.0
179.05518	6.9
189.03922	7.5
197.04451	3.0
201.11198	2.8
207.05032	21.1
207.10115	2.0
208.05382	1.5
225.11211	1.9
225.14819	5.2
226.24239	1.1
357.21399	1.7
387.09055	3.7
387.20239	56.9
388.20099	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	387.166
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01760	0.6
58.00467	1.4
59.01250	100.0
60.01581	1.0
68.32463	0.5
69.03291	0.5
71.01251	21.8
71.13212	1.0
72.99194	1.7
73.02818	0.7
83.01277	1.5
85.02824	3.8
87.00756	1.0
89.02312	16.7
92.44048	0.4
95.01270	2.1
96.95847	0.5
99.00800	0.6
101.02326	11.2
109.06448	0.5
113.02337	6.3
118.57134	0.5
119.03394	5.2
131.29376	0.5
163.11226	4.6
169.91751	0.6
207.10204	12.8
208.10594	0.8
384.52490	0.5
387.16586	74.3
388.16870	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
58.00465	1.0
59.01250	75.0
59.59707	0.4
60.01577	0.7
69.45574	0.5
70.89478	0.9
71.01251	15.6
71.04905	0.4
72.99185	1.6
73.02838	1.1
83.01268	1.4
85.02816	4.4
87.00759	0.6
89.02313	14.7
90.02708	0.5
93.03336	4.8
95.01270	1.4
96.95882	5.6
101.02322	10.7
107.58253	0.4
113.02316	5.8
119.03391	5.2
129.05492	0.8
131.03412	0.4
137.02338	9.5
137.03319	0.8
149.02325	0.4
163.11168	4.4
179.05594	0.5
201.11180	0.5
207.10193	13.6
208.10550	0.8
223.05914	0.5
225.06416	0.7
249.06230	1.5
304.60858	0.4
305.10596	1.4
369.15689	0.5
387.16599	100.0
388.16599	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	387.1087
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
55.98021	0.5
59.01253	2.5
61.02804	0.5
65.00191	1.2
69.52077	0.7
69.52479	2.9
71.01231	1.0
71.84900	0.4
72.14955	0.5
73.02806	0.7
73.59369	0.5
86.32352	0.4
89.03848	1.7
91.01765	6.1
96.95873	0.5
96.99197	7.0
98.19769	0.7
108.02031	2.2
109.02843	8.9
117.03373	3.7
121.02855	1.4
123.00736	0.6
123.04417	9.4
124.01572	1.3
134.03635	43.0
135.04459	5.7
137.02361	1.4
139.03824	0.5
145.02858	4.8
145.65898	0.5
146.03648	14.4
147.04445	6.9
148.01549	1.8
148.05203	1.2
149.05969	4.7
150.03134	0.9
153.05473	1.4
158.03651	9.1
159.04424	20.7
160.01534	2.1
160.04921	1.1
161.02341	0.5
161.05992	5.8
162.06699	0.6
163.03865	2.8
173.05992	5.8
174.03110	0.7
175.03918	1.9
175.07724	0.5
177.05434	0.6
178.02644	3.2
187.03937	1.4
193.03290	0.9
193.04987	11.4
194.05322	0.8
196.65942	0.4
213.05670	0.7
239.07088	1.2
241.05081	2.4
249.05502	1.2
250.06297	1.8
251.07057	0.9
256.07401	1.4
265.08801	0.8
266.05801	7.8
267.06577	9.3
268.07333	4.3
269.08133	2.1
271.09857	2.3
277.04990	1.7
278.05667	0.7
280.04163	0.4
280.07227	1.2
281.08194	12.6
282.08823	4.9
283.09677	5.3
284.10513	3.3
293.04712	0.7
293.08029	0.6
294.05307	1.6
295.06116	14.0
296.06488	1.3
297.11340	0.7
309.07623	2.3
310.08478	11.3
311.08615	1.1
325.10773	9.4
326.11057	1.2
339.04984	0.7
343.11893	4.0
354.07504	2.7
369.09796	5.5
370.09912	0.7
387.10852	100.0
388.11237	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	387.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.7
57.03330	1.6
59.01250	17.5
60.82666	0.6
65.75689	0.7
67.01755	0.5
68.99685	1.3
69.03346	1.0
70.77682	1.9
71.01251	18.6
72.99182	4.4
73.02822	2.1
74.98965	0.6
75.00748	10.0
78.46568	0.6
83.01264	1.6
85.02824	11.6
87.00757	4.2
89.02309	7.5
93.03335	46.6
94.03660	1.3
95.01286	2.8
96.95894	6.5
99.00758	7.1
101.02330	3.1
103.00272	1.6
113.02325	14.4
115.00249	1.5
117.01829	2.1
119.03374	1.8
121.02836	1.9
124.74425	0.6
129.01820	1.7
137.02341	100.0
138.02654	3.9
157.01410	1.4
161.04530	1.0
175.02342	1.4
179.05675	0.7
183.94310	0.6
189.03998	0.7
191.05502	0.6
193.03432	0.7
207.05034	1.2
211.06029	2.3
231.05028	1.9
249.06116	27.8
250.06461	1.6
267.07251	4.9
369.08264	2.6
370.08377	0.9
387.09271	59.0
388.09479	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	387.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.3
59.01247	15.0
61.18169	0.8
63.51784	0.8
67.01765	1.6
67.28307	0.7
69.52837	7.5
71.01244	7.2
71.79906	0.8
72.99190	6.2
73.02819	2.1
79.52688	0.8
79.95609	7.2
81.03343	1.1
85.02812	10.2
87.00720	4.8
89.02307	4.4
93.03330	19.8
93.43390	0.7
95.01289	1.0
95.95109	1.3
96.95888	100.0
98.95470	2.7
99.00765	1.3
101.02326	3.5
108.02057	4.1
109.02852	1.3
110.24604	0.9
111.04382	1.3
113.02328	2.9
119.03415	0.9
121.02840	2.8
122.97475	1.1
123.04409	4.8
127.03867	1.9
133.02815	1.6
135.04333	1.0
137.02354	1.0
151.03903	9.1
153.05431	1.0
173.04475	7.2
191.05534	62.0
192.05815	2.5
195.02893	2.9
225.11369	1.2
292.37354	1.0
305.10648	9.1
387.12241	14.9
387.16507	2.2
388.11484	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	387.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63243	1.8
57.03307	1.9
59.01242	7.9
65.03811	2.3
67.01731	2.6
69.03333	1.8
71.01247	5.2
72.17494	1.8
72.99179	5.2
77.03844	2.3
81.03325	6.1
83.01217	1.7
83.04891	2.7
85.02821	30.9
87.00748	6.6
89.17924	2.0
92.20944	1.8
93.03324	21.9
95.01237	2.8
95.04894	5.2
96.95866	7.9
97.02827	2.9
105.03308	5.0
107.04901	7.7
108.02059	8.8
109.02824	7.4
111.00774	2.8
111.04386	5.3
117.03377	2.2
118.92171	2.1
119.04907	11.6
121.02818	7.5
123.04401	27.8
125.02346	2.2
127.03844	7.0
129.01740	2.3
133.02841	20.6
134.03583	3.0
135.04390	16.5
137.02388	3.8
149.02330	2.7
151.03899	40.2
155.03392	5.1
159.28110	1.8
161.02232	2.0
163.03925	15.5
173.04451	26.3
177.01904	9.1
179.03406	15.7
191.01846	7.9
191.05530	100.0
192.05830	4.8
195.02924	11.0
209.02892	3.1
213.03946	8.1
337.09280	6.3
354.09866	2.3
387.09229	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2231
Annotation	Oleandolide
Peak:m/z	Relative Intensity
50.27988	0.8
53.35623	0.8
59.01244	6.9
59.49723	0.8
71.01231	2.6
71.15136	1.1
71.15472	1.5
81.28600	0.7
82.19676	0.8
85.02811	1.6
89.02293	1.9
91.03856	2.6
97.06453	0.9
101.88895	0.8
103.47060	0.8
119.53757	0.9
121.02855	1.1
122.03628	1.7
163.16924	0.7
167.14278	3.1
168.04172	1.1
190.57149	0.9
207.17361	1.4
223.20644	1.4
231.17444	1.0
249.18599	7.3
267.19650	100.0
268.19946	8.6
275.16516	13.0
276.16888	1.0
293.17584	74.1
294.17923	6.5
311.18661	13.6
367.21219	8.7
378.23163	1.0
385.22299	60.9
386.22723	8.1
395.88974	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	386.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60628	0.3
56.87001	0.3
57.03307	0.6
58.02851	1.0
59.01249	13.1
70.92529	0.8
71.01271	0.7
73.02819	0.5
82.93313	0.3
85.02807	0.4
89.02354	0.3
93.03339	0.3
96.95886	1.2
99.04428	0.3
101.02362	0.3
101.97272	0.3
114.09126	3.6
116.07056	100.0
117.07432	2.2
119.04902	0.4
135.02931	0.4
136.98981	0.3
139.11188	0.3
151.32327	0.3
155.88803	0.3
158.08131	29.1
159.08467	1.0
173.04514	0.4
191.05621	0.4
225.14911	2.1
227.12827	3.6
269.13815	0.4
271.09787	0.3
274.10809	0.3
306.20654	0.4
308.18579	1.4
324.21753	0.8
326.19702	4.4
365.08237	0.3
368.20691	5.2
369.21259	0.9
386.21820	64.4
387.22504	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	385.2016
Annotation	Phomoarcherin A
Peak:m/z	Relative Intensity
59.01240	3.4
60.24859	0.9
62.28739	0.8
71.01248	1.8
71.57444	0.9
71.57836	1.1
71.65092	0.8
73.02843	0.9
77.60971	1.0
89.77505	1.0
89.93538	0.9
92.53146	1.0
93.03333	1.0
95.04925	2.1
105.03360	9.0
115.83753	0.9
121.02829	3.1
123.04372	1.0
132.02071	1.1
133.02844	45.8
134.03667	9.5
135.04430	6.6
137.02332	11.7
139.03918	3.9
140.75508	0.9
146.46471	1.0
147.04549	1.3
148.05200	8.2
149.02272	1.2
150.03102	2.4
152.08229	0.9
153.09142	2.1
160.01572	5.4
161.02327	12.4
161.05992	7.7
162.03000	1.0
168.81552	1.0
170.42030	0.9
170.79305	1.0
175.03917	4.0
177.01820	4.1
178.02621	7.2
179.03369	3.5
194.02100	2.0
197.91518	1.0
198.47462	1.1
204.11372	1.4
211.40610	1.1
218.13051	1.2
233.08084	3.4
247.09781	3.5
261.11346	3.6
301.14407	1.7
327.15988	1.2
341.17554	23.7
341.21466	1.9
341.29193	1.1
342.17993	5.6
369.17157	1.0
370.17822	8.7
374.27448	1.0
385.20172	100.0
386.20474	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	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.5
57.03320	4.5
58.00469	2.9
59.01250	63.2
67.01769	0.8
69.03318	1.4
69.89134	2.3
71.01253	76.0
71.04865	0.6
72.01598	1.6
72.99186	4.5
73.02820	12.0
74.46555	0.4
75.00758	0.6
79.95604	0.6
80.02593	0.5
81.03339	1.4
83.01260	5.1
83.04906	1.8
85.02822	27.6
86.03157	0.5
87.00744	4.5
89.02315	32.9
90.02660	0.6
93.03326	2.1
95.01261	5.5
95.04906	2.3
96.95882	7.9
97.02835	6.2
99.00755	5.4
101.02321	35.2
103.00265	0.7
105.07006	1.7
107.04913	1.1
108.02078	0.8
108.05710	2.4
109.02837	4.3
109.06461	2.3
111.00764	1.4
111.04411	1.2
111.08069	0.5
113.02325	26.8
113.05968	3.9
114.02660	0.5
119.03387	10.3
119.04825	0.5
121.02844	34.2
121.06452	0.8
122.03639	1.6
123.04412	3.2
123.08032	4.6
125.02341	1.9
125.05984	2.7
127.03937	1.6
129.01869	2.1
131.02481	0.5
131.03409	1.3
133.02887	1.3
134.03618	1.0
135.08069	1.5
136.05185	4.1
137.02365	0.5
137.06033	2.0
138.06763	26.9
139.00275	0.6
139.07550	12.0
140.07884	0.5
143.03415	2.7
147.08115	0.9
149.02357	1.1
149.04526	0.5
149.06018	1.3
151.03937	1.4
151.07558	23.0
152.04767	2.5
152.07033	0.8
152.08337	44.0
153.09119	100.0
154.09459	4.5
159.02914	3.6
161.04463	16.5
161.05821	1.0
161.09679	0.8
162.04826	0.7
163.03897	0.5
163.11209	4.4
164.04721	0.8
165.05486	0.7
165.09106	2.3
167.07059	2.2
173.04532	0.9
179.05571	2.0
179.10721	0.6
187.11263	1.4
189.03981	5.0
189.09177	1.8
190.09920	1.7
191.05545	1.0
191.10677	0.5
195.02956	1.5
195.60674	0.5
197.99600	0.4
205.03410	0.7
205.12277	35.6
206.12584	2.4
207.05026	15.8
223.06067	1.3
223.13350	14.1
223.15555	0.4
224.13757	0.9
263.07666	2.4
289.21198	0.4
303.08975	0.7
339.37726	0.4
385.07614	2.8
385.11859	5.7
385.18665	5.5
386.07446	0.5
386.11960	1.1
386.19012	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	385.1768
Annotation	OLODATEROL
Peak:m/z	Relative Intensity
55.01753	0.6
57.03311	0.7
59.01246	1.9
60.98554	0.5
69.26048	5.3
71.01255	0.8
72.00792	0.6
72.04423	4.4
73.02824	2.2
74.02346	29.1
85.02840	0.7
86.05988	7.0
95.04919	0.8
96.95901	1.4
97.06470	0.8
98.06007	0.9
98.20522	0.8
100.00264	0.5
116.04950	14.6
117.05290	0.7
130.06557	1.0
135.08055	1.5
136.07542	0.9
137.08571	0.6
137.09616	9.4
142.06502	2.9
154.12270	1.7
155.10684	2.1
157.07599	0.6
159.09216	1.6
168.13846	1.6
171.10208	1.3
180.13875	0.8
181.08598	1.7
182.08237	0.5
186.05496	0.5
194.11786	3.9
199.09686	0.8
203.08189	11.6
204.08582	0.6
211.13287	0.7
212.12846	6.6
224.12822	0.6
229.14415	0.8
238.10768	4.8
249.50682	0.5
256.11887	13.8
257.12326	0.8
297.19681	3.0
298.20239	0.5
327.21835	2.9
341.18719	2.9
349.19858	0.6
367.16486	0.8
385.17679	100.0
385.21957	4.2
386.17984	12.7
386.22540	1.1
404.40173	0.5
404.45615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01591	0.9
60.90267	0.3
69.65060	0.6
69.65469	1.6
71.01257	1.2
73.02825	0.9
85.02824	0.5
89.02328	0.5
96.95897	1.1
101.02334	1.1
109.61613	0.3
113.02352	0.6
188.61615	0.3
240.08138	0.3
253.92702	0.3
308.00827	0.4
385.15201	0.4
385.22443	0.8
398.20419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74260	1.0
57.03331	3.0
59.01250	100.0
68.99688	1.7
69.64780	2.8
69.65182	6.6
71.01261	9.1
72.99213	1.2
73.02811	2.5
74.66231	1.2
75.00758	8.0
85.02818	9.7
87.00763	3.5
88.05054	1.3
89.02309	1.8
91.05409	3.0
95.01257	2.4
96.95892	1.3
98.20574	1.4
99.00761	4.0
101.02290	1.4
107.63966	1.1
113.02344	10.6
114.24501	1.1
117.03253	1.3
122.67846	1.1
129.01785	1.3
135.04408	41.3
136.04778	1.3
154.38078	1.1
181.12202	1.5
205.16920	1.2
231.05092	1.6
249.06128	26.5
271.02554	2.5
288.95078	1.3
300.02713	4.0
385.11514	16.2
386.11935	1.6
387.03659	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72411	0.7
57.03333	1.3
59.01250	100.0
60.01580	1.9
65.21946	0.6
69.28466	1.2
69.28862	7.1
71.01255	8.3
71.04911	1.4
72.99187	1.2
73.02827	2.4
74.98973	1.0
83.01252	1.9
83.04903	1.3
84.05318	0.8
85.02843	2.6
87.00759	1.3
87.04381	1.1
89.02344	2.4
93.03329	1.2
95.04893	0.9
96.95895	5.6
99.04408	1.2
101.02341	3.5
101.05965	1.1
108.02038	0.9
109.02847	1.1
111.04454	1.4
113.02352	2.9
117.93948	0.7
119.03403	1.3
121.02888	1.2
121.06479	17.6
121.07321	1.1
121.10107	1.2
121.56632	0.8
123.08047	0.6
124.78277	0.8
131.03445	0.7
135.02948	1.8
135.04443	1.5
135.11702	1.7
137.09647	0.9
142.59409	0.8
149.09627	1.2
153.09151	1.1
159.08128	0.9
159.11681	1.3
161.09613	4.7
167.78561	0.9
173.04562	1.4
179.05670	0.8
179.10698	10.7
191.05624	1.1
193.12317	2.4
203.10722	8.1
204.11119	0.8
205.12312	1.3
209.11617	0.9
221.11761	4.2
221.25990	0.7
223.09760	6.0
223.13416	2.4
233.11818	1.2
265.10919	0.9
267.12424	1.3
293.09436	1.3
295.11667	0.8
296.22031	0.7
297.11591	1.0
308.19934	0.7
325.12842	3.4
385.14490	3.8
385.22464	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	383.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	66.2
62.39819	0.9
70.55592	3.6
71.01235	3.7
71.01598	1.0
73.02785	1.5
77.10481	1.4
85.02818	1.7
89.02290	2.2
96.95853	1.3
101.02332	1.8
104.04906	4.3
106.06490	3.6
113.02316	1.6
115.84498	1.0
122.05978	3.2
123.77458	0.9
132.04448	78.7
133.04762	4.4
134.06018	27.6
144.04443	19.5
158.00334	0.9
158.02464	1.3
158.06015	8.9
161.04428	1.3
162.05531	12.1
176.03450	100.0
177.03777	4.9
188.03456	20.9
189.04219	6.3
194.08174	8.2
202.04955	2.7
221.07072	1.4
235.08618	2.3
236.09355	1.6
249.10469	0.9
251.11894	6.2
263.08237	3.1
264.08957	1.6
275.07504	1.3
277.09827	2.3
278.10501	1.6
279.11404	16.4
279.14380	0.7
280.11588	1.4
294.10135	1.3
295.10596	1.3
305.09348	1.5
322.09366	1.5
323.10352	72.8
324.10681	8.8
341.11157	5.3
349.90063	1.0
383.12430	52.2
383.24335	4.4
384.12738	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.6
57.03325	1.1
59.01251	6.5
66.43692	0.3
67.01754	1.7
68.99690	2.6
69.03316	1.2
69.50011	0.8
69.50432	1.1
71.01251	7.6
71.98965	0.3
72.99173	0.8
73.02829	0.3
75.00747	1.7
81.03328	0.3
83.01264	0.9
85.02824	9.2
87.00742	2.7
89.02308	2.0
91.03888	1.6
91.05392	2.0
93.03342	0.5
95.01255	3.1
96.95906	0.4
97.02827	0.7
99.00761	1.3
101.02351	0.5
111.00750	2.2
112.01544	0.6
113.02331	9.1
115.00298	0.4
115.03918	0.5
117.01826	0.3
117.03368	0.3
121.02844	100.0
122.03183	4.7
127.03833	0.3
129.01842	0.9
135.04430	1.8
139.00249	1.5
157.01334	1.0
172.81238	0.2
173.05626	0.2
175.02419	0.3
181.08591	0.4
189.03951	0.7
231.05072	2.5
249.06136	4.9
250.06311	0.3
263.07712	30.2
264.08118	2.0
267.07211	13.9
268.07590	0.8
353.08759	0.7
385.11380	22.0
386.11691	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	383.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33565	2.4
57.03312	7.6
58.51767	2.2
59.01259	19.8
67.01736	2.6
69.59087	9.6
69.59509	8.1
71.01258	19.0
72.99187	5.6
73.02818	20.3
81.03336	10.7
83.01248	3.0
83.04895	5.6
85.02818	37.1
87.00746	21.0
88.35840	2.8
93.03323	6.8
95.01267	2.9
96.95896	4.9
98.19743	2.4
99.00762	7.2
99.04408	9.8
101.02342	29.6
108.02049	3.0
109.02831	48.6
109.03510	5.0
113.02307	3.4
117.03347	7.3
119.04853	3.1
123.00724	4.7
124.01572	4.3
127.03901	32.8
129.01842	22.6
133.02841	11.6
134.03638	77.8
135.04393	11.3
135.92538	2.7
137.02367	3.4
149.02364	4.7
149.05974	6.3
150.03146	34.3
155.03412	2.6
165.05426	4.7
171.02869	10.7
173.04462	9.1
178.02638	2.9
179.03415	7.3
189.03969	100.0
190.04332	3.9
191.05548	34.7
193.05003	68.9
194.02110	4.6
195.57793	2.5
207.05072	16.4
209.04501	29.6
267.07104	3.7
340.13101	2.4
383.09833	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	383.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
59.01249	100.0
60.01585	1.1
65.84640	0.3
70.28268	1.4
71.01257	1.0
73.02822	0.9
83.01266	0.6
85.02823	1.1
87.00722	0.7
87.43005	0.4
89.02313	0.9
93.03336	5.1
96.95895	2.8
98.19825	0.4
101.02335	0.9
109.02866	0.5
113.02367	1.4
117.27290	0.4
118.97972	0.4
127.14578	0.4
132.04462	1.4
133.02873	0.5
134.06010	0.8
135.04367	0.5
137.02344	10.2
143.03471	0.4
151.03938	0.5
151.15622	0.4
176.03444	2.2
188.03604	0.6
191.05589	1.1
194.08241	0.4
207.05078	0.8
211.07640	0.6
235.91460	0.4
264.79352	0.4
281.06799	3.2
296.07245	0.5
323.10489	1.6
383.07922	0.7
383.12579	2.0
383.17108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
59.01248	5.3
66.96709	0.8
69.67788	2.2
69.68196	4.1
71.01239	4.5
72.99171	1.9
73.02813	2.9
79.95621	1.5
81.03333	1.9
85.02818	7.8
87.00755	3.0
93.03331	1.9
95.01262	1.5
96.95880	34.2
98.95495	1.1
99.00755	3.5
99.04401	1.5
101.02325	5.6
108.02079	1.1
109.02824	5.9
113.02411	0.9
117.01830	2.0
125.02318	1.0
127.03864	5.2
129.01854	7.1
134.03661	4.5
135.04410	24.5
136.04716	1.4
173.04445	1.5
179.03418	21.7
189.03918	1.6
191.05539	12.6
193.05043	1.4
197.40945	0.9
204.35739	1.0
207.05034	100.0
208.05368	3.8
217.78667	0.9
355.60574	0.9
383.12851	7.5
384.13071	1.4
401.53897	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	383.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.7
57.03321	7.5
59.01249	10.2
61.65226	0.7
65.03841	5.9
67.01761	2.1
69.03312	2.8
69.48341	2.6
69.48769	2.8
70.64046	0.8
71.01251	13.8
71.04875	0.9
72.99171	2.3
73.02436	0.6
73.02814	20.4
81.03328	18.7
83.01240	3.6
83.04897	6.8
85.02819	58.6
86.03137	1.8
87.00744	16.3
89.02406	0.7
93.03323	1.4
95.01274	6.6
97.02840	5.7
98.19753	1.3
99.00763	6.4
99.04396	10.0
101.02318	35.7
102.02668	0.9
103.00237	13.8
108.02048	6.1
109.02834	87.4
110.03173	1.9
113.02345	1.8
125.02315	4.2
127.03894	42.8
128.04237	1.5
129.01822	17.9
131.03439	1.8
134.03622	50.5
135.04501	3.3
137.02318	2.1
139.03922	1.2
143.03391	3.5
149.02406	1.1
149.06023	3.4
150.03139	1.2
153.01768	0.9
171.02965	0.8
173.04419	1.5
178.02597	3.7
179.03406	3.8
189.03966	93.7
190.04245	3.7
191.05548	2.1
193.04977	23.5
194.05309	1.1
203.00429	0.7
207.05045	2.5
209.04469	1.0
249.97231	0.8
260.15567	0.7
378.61096	0.8
383.09799	100.0
384.10120	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72089	0.5
52.70658	0.6
53.73611	0.6
58.51072	0.7
59.01250	100.0
60.01586	1.0
63.58674	0.7
69.43368	0.6
69.51318	1.1
69.51723	3.7
71.01236	2.9
71.95953	0.5
83.01279	0.8
85.02832	1.5
89.02336	1.0
96.95905	1.9
101.02351	2.2
105.03369	0.8
113.02356	1.7
113.33912	0.5
119.03371	0.6
125.02330	0.6
131.07033	0.9
133.02890	2.0
165.84570	0.6
177.01851	19.4
178.02254	1.1
183.32808	0.6
191.05540	1.3
208.99141	0.6
279.14542	4.0
321.15717	2.0
381.08170	1.5
381.17181	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
57.66369	0.4
59.01250	100.0
60.01586	0.8
69.86163	2.2
69.86578	0.7
70.86707	0.5
71.01260	0.7
78.95787	0.6
85.02820	0.5
96.67981	0.4
96.95899	2.4
101.02327	0.7
127.35701	0.6
151.58220	0.4
174.84866	0.4
195.13895	0.8
239.12915	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	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02653	1.0
59.01245	12.2
73.02821	1.0
75.41835	1.0
78.95779	7.7
99.09389	0.9
109.06448	0.9
151.07475	1.2
152.99487	13.4
170.05756	4.4
174.99182	2.9
175.30135	1.0
203.06235	1.1
217.00246	13.5
233.19199	1.0
235.20663	1.8
251.20111	2.6
267.55264	0.9
277.18079	81.6
278.18378	7.4
279.19653	24.9
280.20010	2.2
295.19128	100.0
296.19479	10.4
363.25443	16.3
364.25674	2.4
381.26691	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	382.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38069	1.1
59.01249	100.0
61.64342	1.0
65.23195	1.2
69.51119	9.7
71.01241	1.3
98.20139	5.2
104.63728	1.2
108.54211	1.3
157.91904	1.0
356.70578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0772
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
50.15733	0.6
51.17563	0.6
57.03329	0.6
57.03609	0.6
59.01247	7.3
68.99686	1.4
69.87688	2.9
71.01250	2.6
85.02853	0.7
89.02318	1.9
101.02359	1.5
108.02145	0.7
113.02264	0.7
119.03362	0.8
121.02841	100.0
122.03176	3.8
135.42319	0.6
140.95683	0.6
145.02805	0.8
147.04396	2.5
149.02328	2.3
161.04445	1.3
163.03905	1.0
180.05656	1.4
181.06485	3.9
191.03407	7.2
207.04666	1.0
217.05052	0.9
222.49446	0.6
223.07535	0.8
225.05544	7.5
251.07092	3.3
285.05798	1.2
291.19617	1.3
295.06088	11.6
296.06226	0.9
309.20700	1.6
311.09238	14.9
312.09573	1.7
313.07190	19.9
314.07419	2.5
323.09885	0.9
339.08762	16.2
340.09000	1.8
341.10815	1.3
383.07675	23.9
383.24344	0.7
384.07974	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	380.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.92351	1.9
62.78717	2.0
66.17799	1.6
78.95813	2.0
98.20522	5.8
152.95918	1.8
152.99496	2.3
209.73296	1.7
217.00197	14.5
283.05276	1.8
382.43991	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	381.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65810	0.8
52.81059	0.8
55.01768	1.0
55.29446	0.9
57.03323	2.4
59.01247	36.4
67.01755	0.9
68.99689	1.9
69.03339	2.6
69.74276	0.9
71.01246	17.6
71.01598	1.4
71.37418	1.5
71.37764	1.2
72.99184	5.3
73.02837	2.9
75.00745	32.1
79.95616	2.1
81.03337	1.6
82.54638	0.8
83.01278	1.3
85.02821	22.2
87.00751	6.8
89.02309	4.5
93.03362	1.3
95.01275	4.8
96.95884	31.6
96.96487	1.6
98.95499	1.4
99.00758	9.6
101.02336	1.6
103.00269	2.4
113.02327	27.3
115.00299	2.4
117.01843	3.5
118.06318	0.9
121.02952	1.0
125.06077	0.9
127.00276	1.5
129.01865	2.5
131.07030	100.0
131.77133	0.9
132.07428	2.8
152.13881	1.0
156.33841	0.9
157.01402	1.3
164.07066	1.7
175.02501	2.3
187.19362	0.9
189.03960	1.3
219.10223	1.5
231.05026	5.2
249.06122	51.9
250.06609	2.2
279.14673	2.0
333.10989	1.4
350.80884	0.9
363.12833	1.5
381.14182	45.6
382.14441	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	21.3
68.94395	0.6
69.03305	3.0
70.64031	1.3
70.64391	1.2
84.75394	0.7
88.60355	0.6
99.92450	3.8
121.10132	0.6
137.09604	0.8
139.11192	3.6
151.11363	0.6
155.10689	8.5
156.41077	0.6
171.10190	5.2
183.10184	49.4
184.02245	1.2
184.10516	2.6
205.08354	1.0
223.04573	3.8
238.08183	3.5
238.78238	0.8
249.22040	0.7
277.21686	11.0
278.22018	1.0
295.22769	100.0
296.23099	11.3
298.09030	2.1
301.09961	0.6
317.20950	33.2
318.21283	3.8
360.14063	0.9
361.19949	2.0
377.22964	17.1
378.22891	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01599	2.3
71.01247	12.1
71.17348	2.5
71.26312	1.3
72.99184	2.0
74.70257	1.3
89.02304	7.9
96.95888	4.5
101.02356	6.8
113.02333	1.8
119.03389	5.7
135.04396	7.1
183.67137	1.6
196.56691	1.4
217.09702	3.7
244.37495	1.5
253.04636	1.4
262.79074	1.5
302.01263	1.5
316.28226	1.4
319.13968	31.0
320.14438	3.0
379.11127	3.3
379.15912	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	377.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41388	0.6
55.01743	1.1
57.03295	0.7
59.01249	100.0
60.01596	1.1
68.15076	0.6
68.82257	0.5
71.01252	4.7
72.04411	0.6
73.02834	2.2
74.02352	2.2
83.01284	1.2
85.02808	2.7
85.57254	0.6
87.00728	0.7
89.02319	1.4
95.35244	0.6
96.95891	30.6
97.06448	0.6
98.20576	1.2
101.02303	4.3
105.88308	0.6
109.02865	1.0
113.02341	1.5
113.24903	0.5
114.78565	0.6
118.98067	0.7
120.99520	0.9
123.04391	1.4
135.04407	1.8
159.04379	0.8
161.04573	1.3
161.20004	0.6
162.05510	0.8
179.03410	0.8
180.06648	1.1
215.12811	0.8
229.60820	0.6
256.11868	0.7
260.41507	0.6
268.11792	0.7
293.86551	0.6
300.72717	0.6
334.16827	1.0
335.20700	4.0
377.07413	5.5
377.16397	2.2
378.07870	1.1
378.15582	9.6
378.20276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Abafungin
Peak:m/z	Relative Intensity
55.01771	1.6
57.03323	8.1
58.00484	1.0
59.01250	34.8
60.05476	0.6
67.01782	1.9
68.36476	0.6
68.99694	2.4
69.03336	1.7
71.01254	39.6
71.13425	0.9
71.13782	1.5
72.99172	9.1
73.02818	3.4
75.00745	35.1
80.02513	0.8
81.03340	1.3
83.01290	2.6
83.04902	1.2
84.02055	0.9
85.02821	40.3
87.00741	15.2
89.02313	13.7
93.03331	1.4
95.01259	10.9
96.01504	0.6
96.95901	3.7
97.02870	0.8
99.00757	20.1
101.02361	2.5
103.00252	4.8
109.06526	1.7
111.00779	1.2
112.01553	1.0
113.02330	57.4
114.02649	1.3
115.00252	4.0
117.01828	5.9
127.07542	47.9
128.07941	1.6
129.01833	3.7
131.03394	0.7
139.00310	0.8
149.04428	0.9
157.01353	2.0
173.11754	3.6
175.02400	4.8
205.07086	6.4
207.05006	1.0
223.08182	3.1
231.05086	4.0
249.06131	47.8
250.06485	2.1
267.07202	99.9
268.07532	4.8
317.12494	1.3
317.15897	1.7
335.17041	4.0
359.13455	1.8
377.14465	100.0
377.24881	2.0
378.14835	10.0
378.19086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	99.8
65.03850	8.6
68.61850	8.0
71.01255	59.0
72.99154	9.8
73.02802	27.8
85.02843	19.7
87.00761	10.0
88.76322	9.6
89.02313	20.2
93.03348	70.8
96.95873	60.8
97.02809	15.0
97.06505	10.5
99.07344	7.8
101.02325	23.9
108.02077	19.5
108.04439	14.4
109.02847	38.0
111.04476	8.6
113.02322	16.9
113.05981	20.6
115.00278	13.7
117.03326	16.4
118.97935	13.3
119.03386	10.5
119.04915	86.1
121.02856	42.6
123.04400	25.6
124.01563	21.3
125.02341	17.2
131.04887	17.0
133.02834	16.0
134.03615	23.4
135.04362	16.3
136.07565	12.2
137.02344	100.0
137.97943	8.7
138.03145	12.8
143.04810	26.9
145.06503	37.6
147.04347	16.0
147.07993	9.3
150.04231	13.0
150.05498	13.9
152.04651	11.5
159.04378	15.5
160.03951	19.7
161.04454	16.2
162.03108	42.4
163.03914	57.9
165.00136	12.4
169.06570	8.0
173.04475	13.0
176.03418	37.2
177.05557	8.0
178.05016	23.6
180.06589	34.5
183.08073	10.0
191.05592	43.3
191.98999	11.0
196.03705	11.8
227.06970	12.0
237.09183	70.2
242.05833	28.3
243.06586	27.7
253.08650	31.4
255.10201	48.2
271.09750	29.3
281.11624	8.5
304.11792	14.2
327.08701	47.7
359.08087	11.2
359.12344	13.9
377.08826	60.4
377.12949	15.1
377.17865	36.3
377.22046	20.9
378.15515	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	0.2
57.03316	1.8
58.00473	0.3
59.01250	3.6
69.03316	0.4
71.01250	0.3
71.04882	0.3
71.06757	0.5
73.02814	0.5
74.02350	0.4
85.02852	0.4
87.04412	0.9
87.04868	0.2
90.98496	0.2
93.03318	0.3
96.95898	0.5
97.06472	0.7
99.08035	0.2
109.06479	0.4
111.04451	0.2
113.09618	0.5
123.08069	1.1
125.09624	0.3
135.08014	0.4
136.07533	0.2
137.09590	0.4
138.06738	0.2
139.11197	1.0
141.09129	0.4
141.12764	0.9
151.11171	0.2
153.09135	0.5
155.10757	0.2
157.12262	1.7
159.71149	0.2
163.03966	0.2
169.12263	0.9
171.10220	0.2
174.99141	0.8
180.06590	0.3
185.11761	2.5
186.12102	0.2
194.11758	1.2
214.12094	0.2
215.12796	1.3
217.00240	2.4
227.10771	2.0
238.10783	2.1
243.10645	0.4
251.20143	0.4
270.13382	0.4
287.22156	0.2
293.21185	0.4
300.16135	1.1
301.14279	0.4
309.24426	0.2
311.22272	0.6
315.74561	0.2
327.21674	0.5
327.25177	0.3
329.23315	3.0
332.18961	0.3
339.25418	0.6
344.15063	0.6
355.24899	0.2
357.26422	3.6
358.26727	0.3
373.25940	3.1
374.26279	0.3
375.27493	100.0
376.17804	2.2
376.27838	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	376.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01960	0.4
59.01244	2.5
62.13617	0.4
71.01268	1.0
79.95606	20.7
80.96384	1.6
85.02802	0.9
93.03336	0.7
95.95077	0.8
96.37305	0.4
96.95886	100.0
98.95454	1.1
105.03410	0.5
123.08043	0.5
137.02332	0.5
143.04552	0.5
163.03828	0.9
178.93645	0.5
191.05602	1.5
221.04854	0.9
229.25494	0.5
303.09073	1.6
305.06973	11.0
305.10226	0.8
306.07495	0.8
316.08554	0.5
319.08606	0.7
321.10144	1.6
344.07922	0.7
358.09369	0.5
371.09564	0.5
376.10345	6.0
376.14969	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
74.98959	2.2
75.62643	1.5
137.59117	1.6
159.08397	10.8
161.06404	2.8
209.01265	2.6
217.07178	1.6
223.44101	1.5
228.94127	1.8
257.00418	1.6
258.91617	1.7
269.38818	1.5
277.07364	2.3
291.09109	99.6
292.09247	11.4
357.13779	3.9
359.15344	100.0
360.15601	14.6
375.18488	8.6
377.16287	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	32.7
67.30734	0.9
68.62541	0.7
73.79858	0.7
77.97464	0.7
93.03339	1.7
95.04903	32.8
96.05244	1.1
98.19759	1.9
99.92467	4.6
102.08818	0.8
110.83507	0.8
111.08048	0.9
115.91908	1.3
151.89487	1.0
174.99133	3.3
179.14381	1.4
186.62512	0.8
189.05301	1.9
195.13849	11.0
196.14325	1.9
201.02420	1.0
217.00255	14.3
218.00732	0.9
223.13324	7.7
246.12350	11.8
249.06102	2.5
254.02773	1.9
256.13098	2.5
265.21744	0.9
275.20193	6.1
278.11353	81.7
279.11740	4.9
293.21231	100.0
294.21545	8.2
306.13287	0.8
315.19418	17.7
316.19669	1.9
333.70950	0.8
338.12201	12.2
339.12534	1.5
358.12427	1.9
375.21472	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	375.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47407	1.5
59.00946	4.1
59.01247	83.3
65.76794	1.4
68.27275	1.8
69.03310	2.2
71.56458	2.2
71.56827	2.3
76.93297	1.4
79.31925	1.6
81.47250	1.6
95.04924	5.0
99.92451	2.2
109.06463	4.5
121.10132	24.3
132.98112	3.1
149.09619	2.2
171.10178	51.4
174.99174	10.9
178.76622	1.6
183.10181	5.2
183.13846	8.0
185.11729	2.6
201.02467	5.1
207.09932	3.5
211.13371	2.3
217.00240	47.3
218.00616	3.0
231.21208	4.9
253.09259	3.1
267.12073	3.8
275.20151	83.0
276.20477	7.6
278.11429	9.6
288.21637	1.6
293.21213	100.0
294.21530	6.5
315.19382	51.2
316.19833	3.7
359.18289	5.3
375.20944	36.6
376.20868	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	375.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	14.5
59.01520	0.8
70.34127	1.0
70.34518	1.1
71.01251	10.3
71.01605	0.6
73.70888	0.5
74.38384	0.5
78.01069	0.4
97.83545	0.4
99.92458	1.1
127.07551	1.3
151.07564	0.7
153.01700	0.5
164.08363	1.2
172.14497	0.5
173.41563	0.5
174.99161	4.1
177.09163	4.0
190.09895	3.0
192.11475	8.5
193.12039	1.0
201.02483	1.4
205.12317	3.8
207.13864	2.1
217.00230	17.0
217.02327	1.0
217.08481	0.5
218.00528	0.9
218.09396	2.3
220.14624	41.7
221.15404	100.0
222.15750	9.1
235.13347	1.7
236.10495	92.9
237.10854	7.4
264.08353	1.0
275.16553	0.9
292.11682	0.9
293.17581	43.2
294.17911	5.2
318.09564	7.4
319.09772	1.2
321.11740	0.4
321.15540	2.9
335.13498	1.0
358.08835	0.9
374.99182	1.0
375.17722	10.5
376.18024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.2
63.96110	22.8
64.96407	0.2
72.99179	18.1
73.98183	5.0
73.99960	0.3
74.98956	1.7
79.95595	0.4
80.96376	0.4
86.04269	0.3
87.00722	0.3
91.99240	0.6
95.95086	0.3
96.95898	0.7
117.97190	16.4
135.98254	100.0
136.98544	1.5
137.17809	0.3
157.92026	0.3
158.52818	0.3
192.22136	0.3
251.61427	0.3
375.18472	6.0
375.27481	2.3
376.18637	0.6
385.32794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1311
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
55.01728	0.5
57.03312	0.6
59.01252	9.8
59.73824	0.4
61.50654	0.5
68.00706	0.6
70.38359	0.5
70.73341	1.2
71.01248	6.3
72.99209	0.9
73.02815	1.3
83.01246	1.5
85.02819	2.2
87.00741	0.8
89.02319	4.7
93.03319	0.6
96.95882	3.0
101.02345	5.1
111.31631	0.6
113.02343	2.1
116.66916	0.7
119.03349	1.8
129.10947	0.6
132.20845	0.6
135.04378	0.7
144.08090	1.9
145.02829	0.7
150.03073	1.4
157.07623	0.8
161.04462	1.1
165.05492	1.4
169.07584	1.0
184.08780	3.1
197.05812	1.0
198.06656	6.3
209.90071	0.6
212.08231	29.4
213.08578	1.7
240.06532	3.1
241.07271	25.0
242.07574	1.1
244.19051	0.6
249.09773	0.7
255.08850	100.0
256.09174	7.9
257.10349	1.4
272.05502	1.1
327.31027	0.6
341.12027	0.6
357.15598	3.1
375.07971	0.6
375.12109	3.6
375.17041	6.9
376.13489	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	375.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.2
55.68825	2.3
57.03308	3.3
58.00441	2.2
59.01249	81.8
71.01254	54.2
71.57634	2.5
72.99181	6.3
73.02825	12.8
74.02335	2.0
83.01254	11.4
83.04943	2.0
83.21540	2.1
85.02828	22.6
87.00755	6.3
89.02309	32.1
95.01266	4.8
96.95877	10.1
99.00751	5.4
101.02323	44.4
113.02335	18.9
117.03335	4.4
119.02615	3.1
119.03392	14.8
119.04896	10.5
123.08083	2.5
125.02296	2.2
129.72678	2.1
133.02811	3.2
135.08008	2.0
143.03403	4.2
145.02846	10.9
149.02306	2.6
161.04449	8.2
163.03920	5.1
165.05551	2.3
173.04408	3.6
174.55841	2.2
177.09109	8.8
185.02167	3.1
195.10231	2.3
202.97076	2.2
212.08269	12.1
241.07265	9.1
255.08836	51.1
256.09113	5.5
325.65942	2.3
331.18048	2.4
357.15509	34.1
357.19504	3.7
358.15826	4.2
375.06924	24.1
375.11682	5.2
375.16592	100.0
376.06793	2.9
376.17096	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	373.2595
Annotation	oscr#24
Peak:m/z	Relative Intensity
50.85917	0.2
57.03307	0.8
58.00460	0.6
59.01262	1.6
69.03299	0.3
70.36983	0.3
70.60764	0.2
71.04891	0.5
73.02799	0.7
81.06951	0.2
83.04887	0.2
85.02810	0.6
87.04388	0.8
93.03323	0.3
96.95899	1.3
97.06451	1.1
98.20564	0.6
115.91938	0.4
121.10122	1.7
123.08025	1.0
125.09613	1.0
127.11150	0.6
128.60503	0.2
133.02829	0.4
137.09601	0.6
139.11180	1.5
141.12733	0.9
155.10660	0.7
157.12244	1.9
161.02243	0.4
167.10583	0.3
169.12268	1.5
171.10146	0.7
173.04439	0.3
173.71838	0.3
174.93295	0.6
175.03932	0.5
185.11731	4.1
200.00815	0.6
201.11247	0.7
213.11337	0.6
214.12074	0.4
215.12823	10.6
216.13219	0.9
232.03479	0.3
264.11145	0.3
307.22845	0.6
313.23837	1.0
315.21368	0.3
325.23895	1.6
329.10461	0.5
337.23856	0.7
341.23212	1.0
343.24875	8.5
344.25284	1.0
355.24768	2.8
356.25281	0.6
371.24396	1.5
373.25919	100.0
374.06097	0.6
374.26257	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	374.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42665	0.4
57.03318	1.1
59.01251	24.0
60.99171	0.9
63.69141	0.4
70.02847	2.8
70.73947	0.5
71.01271	0.6
71.57243	0.7
72.00780	4.2
72.04430	2.0
73.02834	0.4
74.02344	62.4
79.95627	1.2
84.04421	9.7
86.02348	1.4
96.95888	13.6
98.02347	3.5
100.03904	2.2
101.02334	0.7
102.05479	1.2
104.03412	29.9
107.04913	0.7
112.07626	0.6
116.03418	27.8
117.03734	0.5
122.02358	0.6
128.03406	1.6
146.04492	20.5
152.00114	0.5
152.03423	1.0
195.13867	1.0
206.04803	0.5
209.11752	1.2
225.14886	4.6
227.12808	7.6
239.12819	1.8
258.06390	0.4
264.16006	0.5
266.13919	1.1
269.13913	2.1
284.15021	1.9
287.15030	4.9
294.17114	0.7
312.18192	2.9
314.16122	4.7
319.08652	1.7
326.16080	2.0
338.15836	0.4
344.17114	9.8
356.17114	9.1
357.17441	0.6
374.18158	100.0
375.13376	0.7
375.18555	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	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
54.56973	0.6
55.01783	0.8
57.03327	1.9
58.00462	4.4
59.01250	100.0
60.01598	0.8
71.01252	58.9
72.01578	1.2
72.99170	5.3
73.02826	2.2
83.01260	4.1
85.02827	13.3
87.00769	2.4
89.02314	71.0
90.02670	1.1
95.01273	4.6
95.70792	0.7
96.95911	4.5
98.19768	1.9
99.00732	0.9
101.02324	46.3
102.02670	1.4
109.02802	1.1
113.02330	28.6
114.02699	1.0
118.97980	0.8
119.03391	37.7
123.00785	1.7
131.03410	2.8
134.05972	0.8
135.98224	3.7
143.03410	4.7
147.04549	0.9
149.04472	2.0
161.04468	2.9
163.03922	1.6
173.04466	1.4
179.05460	3.8
193.12260	8.6
211.13399	1.9
229.17926	1.5
229.24539	0.8
243.06410	0.7
295.10880	2.2
298.08548	1.1
313.10840	5.1
343.07755	0.7
343.11801	1.6
355.12863	0.9
373.13089	5.2
373.18573	42.1
373.25482	3.7
374.13553	0.9
374.18973	3.1
392.91476	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	373.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18338	0.3
59.01249	12.8
71.57110	0.4
77.56240	0.3
93.02042	0.3
93.03324	2.1
95.04846	0.5
98.76378	0.3
119.04872	0.4
125.05958	0.4
148.08823	1.1
150.10400	1.2
151.11163	0.5
163.11220	1.0
165.12755	21.7
166.13094	1.5
174.93318	0.7
175.11169	0.7
176.11958	1.0
177.12674	0.6
188.61662	0.4
191.14342	1.0
196.23073	0.3
217.15927	0.7
218.47441	0.4
244.10776	4.1
245.19040	0.5
247.20609	11.2
248.20961	1.2
273.18564	6.5
274.18878	0.8
291.19647	100.0
292.16852	0.7
292.20001	11.3
313.17834	14.3
314.18188	1.4
344.25629	0.4
373.19922	12.3
374.20212	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	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13771	0.3
57.03325	1.0
59.01250	10.3
67.01754	4.3
68.99689	1.0
69.03327	1.1
69.93185	1.7
71.01254	3.4
73.02833	0.7
76.76141	0.3
81.03333	0.8
83.04893	0.8
85.02825	0.9
87.00755	0.5
93.03334	27.0
94.03666	0.8
96.04453	0.3
97.67711	0.4
98.20512	0.6
99.04404	0.4
101.02325	0.3
104.04944	0.8
109.02837	1.0
111.00750	1.0
111.04408	4.7
113.02322	0.7
116.13223	0.3
120.04395	0.3
121.02857	0.5
122.03608	0.6
122.06015	2.4
127.03899	0.6
132.04443	21.6
133.04791	1.0
134.06026	0.6
135.98283	0.3
137.02328	5.1
137.09596	1.9
138.05501	0.3
144.04494	0.5
148.03958	0.6
150.05548	0.7
151.00319	0.3
152.07072	6.1
153.07465	0.4
155.03400	5.0
155.10681	23.7
156.10997	1.4
164.03424	0.8
164.07089	5.3
166.04990	1.1
173.04466	100.0
174.04790	3.9
178.99773	0.5
191.05458	0.3
199.09685	15.7
200.09990	0.9
243.11566	0.4
267.11429	0.5
277.09613	0.5
285.11526	0.7
290.02109	0.3
295.10922	0.9
297.05182	0.4
297.12421	6.2
298.12762	1.1
303.13666	0.4
313.11758	0.8
321.65198	0.3
329.11502	0.5
329.15100	4.1
330.15302	0.6
373.14993	9.5
374.15439	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	373.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02197	0.3
57.03325	0.9
59.01254	6.7
67.01738	0.3
69.03345	0.5
69.39558	2.6
71.01247	2.9
71.04897	1.2
71.67102	0.3
73.02816	4.1
74.02338	0.5
78.82215	0.4
78.95774	3.3
81.03328	0.8
83.01270	0.4
83.04893	2.2
84.65508	0.3
85.02837	1.6
87.00753	1.0
89.02319	1.0
93.03329	4.7
95.01241	0.4
95.04893	0.5
96.95885	3.0
96.96854	0.4
97.62288	0.4
98.19738	0.6
99.04414	0.7
101.02305	1.2
107.01283	0.5
109.02819	0.7
111.04395	4.1
113.02308	0.6
118.97960	0.5
120.04441	0.6
121.02882	0.7
129.05450	1.2
130.05804	0.5
132.05742	0.4
133.02840	0.8
135.04399	1.3
135.08040	1.1
137.02359	1.8
137.09619	8.0
138.03130	0.5
138.05548	0.6
145.02817	0.4
147.04430	0.7
148.03979	1.5
148.05138	0.5
151.00241	0.5
151.03931	0.8
152.03462	0.4
152.99423	0.5
153.01874	1.9
155.03432	3.9
155.10681	100.0
156.11031	5.5
166.05003	4.1
168.04175	1.0
169.04919	0.3
171.00514	0.5
173.04471	15.1
174.04828	0.6
178.99825	0.6
179.03426	0.7
181.05344	0.5
191.05563	0.6
199.09689	71.1
200.10008	3.8
202.11578	0.5
210.06865	0.4
211.07639	0.4
218.63948	0.4
242.05838	0.6
253.08710	0.7
254.50006	0.4
265.09814	0.4
270.09134	0.5
279.68155	0.4
285.11295	1.9
329.11172	0.7
373.09659	1.4
373.15005	22.5
373.20343	2.3
374.15216	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	372.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.5
58.02843	4.2
59.01250	13.2
60.01598	0.3
60.99175	0.4
62.73493	0.3
66.23103	0.3
67.01791	0.7
71.01259	1.2
73.02824	0.9
74.02351	1.2
81.03308	0.5
83.04903	1.2
84.04425	2.9
85.02840	0.8
85.48164	0.3
87.00748	1.7
93.03331	5.7
94.14874	0.3
96.95891	0.9
98.02348	0.5
98.05997	1.1
100.07565	6.5
101.02351	0.6
102.05486	63.0
103.05824	1.5
106.98083	0.3
111.04423	0.7
117.23808	0.3
126.05489	3.1
128.03426	100.0
129.03807	1.9
129.05264	0.3
130.08624	0.5
137.09581	0.4
139.11200	5.4
143.11858	0.4
144.06569	8.6
146.04489	25.2
147.03149	0.6
147.04759	0.6
155.03458	0.3
155.10692	1.3
163.11205	1.0
164.03427	0.3
170.04500	7.7
171.04909	0.3
173.04462	2.5
178.99825	0.5
181.12250	3.0
183.10170	6.0
188.05569	6.7
191.05556	1.0
197.09418	0.5
199.09669	0.6
199.13351	1.5
211.13162	0.4
225.11243	3.5
226.11618	0.3
242.18694	0.7
243.12341	25.9
244.12671	1.6
265.24268	0.4
266.46207	0.4
297.08627	0.5
310.16693	0.5
328.17770	2.0
329.11417	0.3
336.14590	0.9
354.15509	6.3
355.16071	0.5
372.16605	67.0
373.16510	6.6
385.48102	0.4
396.25082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	6.9
57.03325	9.0
57.42569	0.4
58.00476	2.4
59.01251	50.4
60.01579	0.6
67.01806	0.6
68.33665	0.4
68.99682	0.9
69.03326	1.8
71.01254	100.0
71.04922	0.5
71.57703	0.6
72.01585	1.4
72.99168	5.3
73.02819	32.2
74.03145	0.6
75.00751	2.2
79.95614	0.4
81.03329	0.9
83.01260	15.7
83.04889	0.5
84.02054	0.6
85.02825	48.8
85.06459	0.8
85.99985	1.2
86.03176	1.4
87.00749	5.2
87.04376	1.0
89.02320	19.4
95.01265	7.6
96.01596	0.5
96.95901	4.1
97.02813	2.5
97.06458	0.5
99.00762	15.5
100.01112	0.5
101.02324	82.2
102.02670	1.1
102.98470	0.9
109.02880	0.4
109.86726	0.5
111.00769	1.5
111.08022	0.5
113.02334	40.7
114.02670	1.4
118.97979	0.4
119.03394	7.0
121.02816	0.8
121.12135	0.4
123.08034	1.3
125.02349	2.4
125.09639	0.5
129.01854	2.6
131.03409	0.9
135.04416	1.3
137.09595	1.7
139.07509	0.6
139.11137	0.5
143.03419	5.3
143.10661	0.6
145.02791	0.6
146.03682	0.4
149.09599	0.8
157.08707	2.2
159.02927	9.0
161.04474	46.4
162.04829	1.6
165.12784	0.8
173.04466	1.3
179.03398	0.5
179.05537	0.7
185.11812	0.5
189.25916	0.5
205.03374	2.5
205.05011	1.4
206.63539	0.5
209.15445	10.9
210.15700	0.7
226.07307	0.7
235.16978	2.3
237.10234	0.6
241.09734	1.2
249.06361	0.6
253.18120	0.6
265.09747	1.4
279.15860	1.4
283.13644	0.6
293.09299	0.8
297.12357	1.4
297.17053	3.1
327.13324	0.8
327.25589	0.7
335.18756	1.1
353.19684	1.0
356.08957	1.1
367.64423	0.5
371.11377	1.7
371.20618	43.9
371.24469	5.6
372.20932	4.9
372.24899	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	371.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19884	0.4
57.03310	0.5
57.68657	0.4
59.01249	100.0
60.01580	1.1
61.83804	0.4
62.06741	0.5
62.25184	0.4
68.10381	0.4
69.57457	3.3
71.01247	1.8
73.02815	0.8
73.31380	0.4
74.02373	0.5
74.98982	0.4
83.01235	0.6
83.04924	1.1
85.02834	1.4
87.00751	0.7
89.02377	0.6
93.03342	0.7
96.95883	1.0
99.04411	1.0
101.02338	1.0
102.05505	1.1
106.06527	1.1
107.04908	16.9
108.04446	1.5
113.02326	1.0
118.97959	1.1
120.04510	0.6
122.06076	0.5
128.03453	2.4
132.04436	0.6
134.06035	3.8
135.04408	0.7
141.86253	0.4
162.05568	0.7
164.03484	1.4
172.72218	0.4
173.04445	0.9
176.03506	0.5
249.06400	0.7
283.10861	1.6
293.09381	0.8
311.10352	7.9
312.10559	0.8
339.55020	0.5
346.01138	0.4
371.12457	3.5
371.24261	0.5
372.16696	1.2
372.20779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.2
59.01251	100.0
69.39803	7.5
69.40208	3.4
71.01261	2.7
80.68248	1.4
82.53844	1.3
85.02807	1.3
94.02861	2.4
95.04879	1.4
96.95884	18.1
101.02314	1.6
104.04946	2.9
106.06519	2.0
108.04436	1.5
118.06499	2.7
118.97958	1.3
120.04455	2.8
122.02354	9.9
122.05974	3.6
132.04475	5.9
134.02361	6.3
134.05997	8.6
135.04428	1.5
136.03937	4.8
137.02328	2.0
140.03462	8.9
148.03961	10.6
150.05508	21.2
151.05724	1.3
160.03938	22.2
161.04726	38.2
162.01865	4.3
162.05519	13.6
163.02667	4.8
164.02048	2.6
164.03442	55.8
165.03781	1.5
174.05525	2.8
175.02644	3.6
176.03438	20.6
177.03648	1.3
178.04982	1.5
178.07201	1.2
190.05034	2.2
192.02921	6.9
193.03723	30.7
194.04323	1.7
194.08113	2.9
210.05728	1.4
210.07611	2.7
213.10301	1.5
224.07280	1.8
224.99930	1.4
238.08751	2.0
240.10254	4.9
241.09758	3.8
250.35344	1.3
253.06227	3.6
255.07805	1.3
265.09796	4.7
267.11282	11.3
268.09647	5.2
269.09274	17.0
281.09341	4.5
283.10876	83.1
284.11203	5.8
289.11166	1.6
293.09293	18.5
296.07928	1.6
311.10367	45.3
312.10709	4.9
343.13037	16.3
353.11444	5.5
354.09821	1.6
371.12482	44.5
371.24301	6.2
372.12723	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	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01575	1.5
71.01255	1.5
71.04871	0.6
71.07198	1.1
74.16836	0.5
85.02837	1.1
87.00778	0.7
96.95896	0.9
99.04411	0.7
101.02319	0.9
102.05502	1.2
106.06502	0.7
107.04910	19.4
107.05617	1.0
108.04452	1.8
108.05172	0.6
113.02366	0.9
120.04440	0.6
125.99419	0.5
128.03445	2.3
131.05080	0.7
134.06009	5.5
135.04387	0.9
136.03931	0.8
136.59372	0.6
146.04471	0.9
162.05585	0.6
164.03488	2.4
176.03427	1.1
190.05089	0.6
191.05511	0.7
211.85788	0.5
214.46628	0.6
227.11871	0.8
232.07162	0.6
243.12340	0.7
246.85394	0.6
255.11546	0.9
265.09903	0.6
279.26505	0.7
283.10959	2.0
311.10376	11.5
312.10791	1.3
327.09998	0.9
371.12555	4.1
371.24200	0.7
372.16660	2.5
372.20755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01806	1.3
57.03318	3.1
59.01252	19.4
61.19516	1.1
66.29656	1.0
67.01752	1.9
68.99673	3.6
69.03314	1.6
69.53071	9.8
71.01253	24.2
72.99184	6.5
73.02793	1.5
75.00746	19.4
81.03333	2.1
85.02820	19.8
87.00723	9.2
89.02293	3.6
95.01284	6.9
99.00764	11.6
103.00241	2.2
109.02775	1.2
111.05585	1.2
113.02325	25.2
117.01792	2.6
119.20004	1.3
121.02846	100.0
122.03174	3.8
129.01799	2.0
133.31987	1.3
161.35530	1.2
175.02368	3.2
231.05075	7.8
249.06142	91.1
250.06465	2.2
278.37808	1.4
353.08801	1.5
371.09814	64.9
372.10178	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	371.0981
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.71286	0.4
55.01755	1.1
57.03323	2.7
58.00480	0.5
59.01249	17.6
67.01772	0.7
69.03313	0.5
70.91077	1.4
71.01247	14.8
72.99176	7.2
73.02808	2.5
75.00742	18.5
83.01264	0.9
85.02821	21.1
87.00756	7.7
89.02302	4.7
93.03337	1.5
95.01276	6.3
99.00746	7.6
99.01347	0.7
101.02319	1.5
103.00246	3.6
111.00762	1.3
112.01558	0.8
113.02325	33.0
114.02686	0.7
115.00267	1.9
117.01816	3.8
119.03398	0.4
121.02839	100.0
122.03181	3.5
124.69949	0.5
129.01819	1.8
131.03372	0.7
135.04454	0.6
157.00072	0.5
157.01318	1.7
165.13742	0.5
173.04472	1.6
175.02409	4.3
180.89043	0.4
191.05571	1.9
193.03427	2.8
197.04456	1.7
231.05008	4.4
249.06117	29.8
250.06479	1.6
311.07654	0.7
353.08691	2.9
371.09796	83.6
372.10126	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	4.7
67.01776	7.8
69.80392	3.0
70.90638	5.5
70.90977	4.5
71.01241	6.2
79.95618	3.3
81.03316	4.6
85.02810	14.8
87.00757	16.0
88.01125	2.7
93.03336	73.7
94.03661	5.5
95.04881	4.9
96.95909	21.0
101.52520	2.7
107.04938	4.6
108.02046	9.3
109.02834	12.9
111.04401	10.4
119.04910	5.4
119.43910	2.7
121.02847	4.1
123.04408	31.8
124.23022	2.7
125.02325	5.6
129.01845	3.9
133.02875	14.0
142.80617	2.9
151.03938	22.8
173.04480	39.6
174.41597	2.8
177.01857	8.1
191.05548	100.0
192.05832	5.0
195.02908	16.4
369.08032	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	369.228
Annotation	19-hydroxyprostaglandin H1
Peak:m/z	Relative Intensity
51.24319	1.9
57.03327	17.0
59.01243	33.2
69.03339	2.6
71.01248	9.3
71.04895	9.2
71.57920	1.9
72.02020	2.3
72.60295	1.6
72.99157	1.7
73.02797	3.0
74.02341	6.2
79.95608	2.3
81.06963	10.9
83.04885	6.7
85.02814	18.1
87.00767	3.8
87.04385	40.9
89.02325	2.2
93.03335	3.8
95.04920	3.9
96.95886	23.6
97.06463	15.3
98.06801	2.0
99.04412	15.4
99.08028	16.3
101.02314	3.7
101.05947	7.1
103.08155	1.7
104.18255	2.0
107.04923	4.2
109.02795	2.1
109.06493	7.0
111.04407	1.9
111.08038	7.5
113.02360	2.3
113.09605	6.3
115.07515	1.6
115.88132	1.7
121.10113	16.9
123.08039	12.0
125.05949	3.0
125.09580	4.6
127.07479	2.5
129.09085	9.7
133.10107	1.7
134.06062	2.6
135.04422	3.5
135.08076	3.0
137.02356	2.9
137.09625	30.7
138.06744	3.4
139.11176	18.7
141.09140	5.1
143.10692	14.6
148.03970	6.3
149.09668	5.2
151.11212	2.6
152.08328	2.8
153.09059	4.4
153.12758	2.6
155.10698	5.0
156.02875	2.1
157.12276	3.2
160.03998	3.5
161.09508	2.5
163.11208	3.1
164.03395	3.8
167.10698	13.8
168.11455	8.0
169.12241	3.7
171.82774	1.7
173.04535	4.2
174.05533	5.5
179.03358	2.3
181.12280	2.5
183.10211	3.0
185.11760	7.8
187.11276	3.6
187.13338	19.5
188.03436	1.9
191.05585	4.1
193.15901	6.0
196.11006	2.5
201.16432	3.1
203.12798	8.5
207.05017	10.0
211.16942	2.8
214.12085	2.7
216.13695	4.5
218.04608	1.9
219.17470	51.3
219.19493	3.6
220.17863	3.7
223.13359	6.4
229.12228	1.8
231.17503	1.9
237.14877	6.5
237.18605	7.8
240.37036	1.7
249.18594	6.7
252.05072	1.9
253.09961	1.9
256.16693	3.2
263.16849	2.2
263.20172	10.1
265.10010	2.7
267.07907	1.9
267.12183	3.1
279.07925	2.0
281.09241	6.0
289.21674	10.9
307.22815	23.3
308.23203	2.5
309.08698	13.1
325.23819	91.1
326.24103	12.3
339.09131	2.1
341.11542	3.0
351.21811	3.2
354.10855	2.2
369.10941	26.2
369.22827	100.0
370.23050	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77198	0.9
59.01249	4.0
60.99185	1.3
67.01759	6.9
69.03329	3.9
69.35894	0.9
71.01252	6.7
73.02836	1.6
81.03343	3.8
83.04907	1.4
85.02820	13.6
87.00754	15.7
89.03848	2.3
93.03334	71.2
94.03690	1.6
95.01299	1.3
95.04913	2.6
96.95889	4.8
97.02857	2.9
98.19762	2.4
99.00758	2.1
99.04387	2.3
101.02325	1.7
105.03364	3.0
107.04887	2.8
108.02054	5.7
109.02839	9.6
111.04391	10.5
119.04912	5.4
121.02844	3.8
123.04408	32.0
124.26612	0.9
125.02348	4.4
127.03888	3.4
129.01842	3.6
133.02843	15.6
135.00763	1.5
135.04373	1.1
137.02348	2.4
143.03360	1.4
147.04414	2.3
149.02376	3.2
150.03102	1.3
151.03905	34.4
152.04236	2.0
153.01907	1.1
155.03389	3.2
163.03944	4.1
171.02934	1.1
173.04471	70.7
174.04774	2.7
177.01845	10.3
189.03960	1.1
191.05536	100.0
192.00601	1.3
192.05913	4.6
195.02914	25.5
196.03329	1.3
207.03099	2.0
207.05045	6.6
217.52527	1.0
229.61063	1.4
241.33087	0.9
320.69788	1.0
369.08218	24.0
370.08450	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	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25241	0.7
57.03313	0.8
58.58923	0.8
59.01250	13.8
69.03315	1.0
71.01249	1.9
71.28198	1.5
84.54167	0.7
89.02301	4.1
90.49675	0.6
91.03873	12.4
97.02828	1.7
121.02812	1.5
130.24286	0.7
179.14262	1.1
192.95831	3.5
195.13844	8.2
202.98708	1.0
208.93092	2.0
212.33501	0.8
217.00305	1.4
223.13303	5.1
228.13448	0.9
256.13113	2.4
261.11029	2.3
262.11853	6.6
265.88306	0.7
272.00171	0.6
275.20178	6.1
291.09567	0.7
291.19537	1.1
293.21213	100.0
294.21545	8.5
298.08353	1.9
299.08536	1.0
309.20743	2.2
329.17249	0.8
331.18851	6.2
332.19272	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86312	1.1
51.93499	1.1
57.03323	6.5
59.01247	8.7
60.99183	2.4
67.01749	5.3
69.03319	3.0
71.01253	7.7
71.10764	1.1
71.11092	2.1
72.98756	1.0
72.99181	3.7
73.02815	2.0
79.95598	1.5
81.03327	4.2
83.01238	6.7
83.04900	1.8
84.02041	1.5
85.02819	47.2
87.00749	17.2
89.02344	1.3
89.03861	1.3
93.03333	58.4
94.03645	2.9
95.04904	1.2
96.95883	13.1
99.00768	2.7
101.02331	1.4
105.03343	1.3
107.04882	3.6
108.02051	5.0
109.02842	10.7
111.00755	5.6
111.04413	7.1
113.02334	1.6
119.04900	13.4
121.02797	3.9
123.04407	28.9
124.04649	1.9
125.02324	3.0
127.03883	2.7
129.01836	11.8
133.02826	14.5
135.00772	3.2
143.03366	3.4
145.02849	3.1
147.02866	2.2
149.02341	1.7
151.03918	23.4
155.03346	2.2
162.33150	1.2
163.03943	10.6
173.00893	7.8
173.04465	39.1
174.04831	2.5
175.05040	1.7
177.01866	9.5
191.01926	21.6
191.05533	100.0
192.05858	3.3
195.02930	17.7
205.03419	2.0
207.05037	5.3
223.04517	18.1
337.05585	1.6
369.08102	26.7
370.08710	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	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39507	0.2
56.02039	0.1
59.01248	1.0
60.99178	0.2
63.17747	0.2
67.01757	0.8
69.03325	0.4
71.01244	0.8
71.06902	0.4
71.07237	0.2
72.47734	0.2
73.02819	0.5
81.03335	0.3
83.04909	0.4
85.02822	6.0
87.00755	2.0
93.03334	5.0
94.03671	0.3
99.04396	0.2
101.02303	0.2
109.02816	0.5
111.04398	1.2
117.18256	0.1
127.03898	1.7
129.01743	0.2
134.03625	2.4
144.12114	0.2
149.05971	0.2
160.01622	0.3
170.67998	0.2
171.02910	0.5
173.04451	2.7
175.03954	0.3
178.41710	0.2
191.05533	100.0
192.05876	4.0
193.04967	1.7
198.33096	0.2
225.70236	0.2
367.10336	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
59.01243	1.7
66.89274	0.5
69.88432	2.9
78.27279	0.5
83.04906	0.6
85.02824	0.8
89.03841	1.5
91.79656	0.4
93.03344	2.1
102.58813	0.6
111.04399	2.9
117.03352	7.7
122.22525	0.5
134.03635	84.7
135.03984	3.6
137.02283	0.5
149.05983	5.2
155.03398	2.4
173.04482	4.0
178.02608	0.6
191.05539	6.4
193.04993	100.0
194.05318	5.3
220.28435	0.6
226.97342	0.5
359.22687	0.5
367.10266	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	367.1032
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
51.86017	0.4
52.79741	0.4
57.03314	0.8
59.01249	2.1
60.99185	2.3
67.01755	8.6
69.03313	2.6
70.73082	0.9
70.73447	0.9
71.01258	4.2
81.03324	2.0
83.04889	1.7
85.02818	6.9
85.91219	0.5
86.03156	0.5
87.00751	9.7
93.03333	51.5
94.03683	1.6
99.00713	1.1
99.04400	0.8
100.33842	0.4
101.02357	0.5
109.02840	1.3
111.00735	0.5
111.04404	7.9
112.04743	0.8
113.02319	1.0
117.03333	2.5
127.03889	2.0
129.01833	1.5
133.02823	1.0
134.03632	26.5
135.03935	0.8
137.02341	2.6
149.05960	1.7
155.03391	2.6
160.01599	0.7
173.04465	53.9
174.04816	1.8
175.03926	0.7
191.05531	100.0
192.05879	3.6
193.04977	14.3
194.05229	0.9
269.79129	0.4
367.10287	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	366.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00983	0.4
59.01245	2.9
70.76996	0.4
70.77332	1.0
87.63272	0.4
93.98800	0.5
102.03394	1.0
104.04933	0.9
104.74281	0.5
105.07011	0.4
106.06511	0.6
119.04929	0.5
120.04448	0.8
130.06546	0.7
132.04417	1.4
146.06021	4.7
148.07581	45.5
149.07898	2.6
149.29614	0.5
155.31145	0.4
162.05519	0.6
202.02713	0.5
202.98714	0.6
233.19057	1.1
305.21436	0.8
366.24341	100.0
367.24686	16.3
385.24374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70157	0.3
56.56243	0.3
59.01250	100.0
60.01583	1.0
69.29266	2.1
69.29691	1.4
71.01262	0.5
73.02831	0.8
85.02835	0.9
96.95894	1.3
101.02333	1.3
116.07092	0.6
125.70457	0.4
155.10732	0.9
222.87071	0.4
286.20126	0.6
365.12784	0.5
366.15851	0.5
387.11163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
57.94137	0.6
59.01246	7.0
67.71019	0.6
71.57021	1.1
85.06448	3.4
87.64198	0.6
157.92834	0.7
187.42844	0.6
199.13327	1.3
201.02524	1.2
246.89702	0.6
261.18497	1.4
279.19641	16.3
280.20007	1.5
283.26370	1.6
303.26691	0.6
347.25830	7.0
348.26303	1.0
365.26932	100.0
366.27292	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	365.2694
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
59.01251	7.1
67.41526	0.7
88.05191	0.6
88.73136	0.7
123.71844	0.7
153.12683	0.8
165.12769	2.7
181.12172	1.0
199.13318	30.4
200.13521	1.8
201.02475	0.8
243.28804	0.7
283.64117	0.7
347.25845	4.2
348.26050	1.2
365.26923	100.0
366.27246	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.9
59.01251	23.6
61.33789	0.9
66.91999	1.1
69.03338	1.4
70.65616	0.9
70.85333	2.8
71.01246	17.1
72.99183	4.4
73.02811	1.8
73.26208	0.9
75.00741	12.7
79.95615	0.9
83.01280	1.3
85.02824	17.3
87.00734	5.9
89.02313	3.5
93.03305	1.6
95.01271	4.7
96.95895	12.3
99.00743	8.2
101.02301	2.6
103.00268	1.1
111.00769	1.6
113.02333	18.7
114.02686	1.3
115.00266	2.1
115.07531	100.0
116.07860	2.9
117.01839	2.5
129.01854	1.7
161.04442	1.4
175.02365	2.5
231.05031	1.9
249.06128	14.9
267.07156	2.7
275.88391	1.0
305.12445	1.8
305.15674	1.3
347.13608	2.8
350.73407	1.1
365.14499	71.0
366.15170	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	3.9
57.03323	20.7
58.00460	2.3
59.01249	100.0
60.23203	1.7
71.01251	49.2
72.99166	7.4
73.02829	10.5
83.01244	6.2
85.02816	20.9
86.40400	1.9
87.00750	4.6
89.02315	35.7
95.01233	4.1
96.95877	6.9
97.06491	1.9
99.00773	4.5
99.04384	12.0
101.02320	45.8
101.05962	36.5
113.02325	24.4
115.03912	1.8
119.03388	15.3
125.02329	4.8
143.03436	2.4
149.04375	2.5
161.04472	4.2
161.11781	3.1
179.05551	2.3
185.11754	6.8
203.12845	6.3
221.10243	5.7
238.89998	1.8
271.32666	1.9
323.17126	5.1
347.17194	11.0
365.14371	6.3
365.18176	92.4
366.18423	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03041	0.8
57.03313	2.5
57.27332	0.6
59.01250	20.5
66.89939	0.7
68.99702	0.9
69.29872	2.4
69.30306	5.3
70.55048	0.9
71.01249	15.7
72.99168	3.8
73.02808	2.0
75.00746	15.4
76.72070	0.7
85.02820	14.7
86.03191	0.8
87.00755	6.9
89.02319	4.1
93.03337	1.0
95.01266	3.3
96.95893	2.7
98.20549	1.8
99.00748	8.3
101.02320	1.7
103.00266	1.6
106.27412	0.7
113.02333	21.1
115.00285	1.6
115.07534	100.0
116.07862	2.6
117.01834	2.4
129.01880	1.1
157.01302	0.9
160.06323	2.4
161.07120	6.1
168.48941	0.8
175.02400	2.4
175.08672	2.5
189.06612	6.7
190.75578	0.9
202.26576	0.8
203.08165	2.4
203.11929	1.5
205.06995	1.0
229.09801	2.8
231.05103	1.8
249.06146	19.5
250.06537	1.2
267.07098	2.2
302.29242	0.8
305.11447	9.4
306.11850	1.0
347.13513	2.8
365.14529	65.7
366.14865	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30451	2.6
55.01760	4.2
57.03321	100.0
59.01252	98.9
59.79339	3.3
67.16242	2.8
67.94006	2.7
70.07736	3.2
70.08071	13.7
71.01250	23.0
71.37006	2.6
73.02811	8.9
85.02823	9.6
89.02307	7.9
96.95897	7.0
99.00759	4.3
99.04396	71.1
101.02317	39.0
113.02322	13.2
125.02348	19.7
161.04448	8.2
167.03403	6.8
172.96179	3.1
203.09131	3.3
221.10217	31.4
238.21642	3.1
249.05977	2.9
259.14465	5.5
305.02805	3.0
313.13156	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	363.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14553	0.6
57.02134	0.6
59.01251	100.0
60.01590	1.8
69.35841	5.0
69.36249	1.4
71.01258	2.9
73.02829	1.2
74.02341	0.8
83.01243	0.9
83.04910	1.0
85.02827	2.1
87.00739	0.8
89.02329	1.8
91.03889	2.6
96.95881	5.2
101.02340	2.0
111.00703	0.9
111.04488	0.7
113.02348	1.1
135.06442	0.9
136.99081	1.3
137.09593	0.8
139.11182	1.3
149.18964	0.7
152.21535	0.8
155.10728	2.6
156.11082	1.0
157.11188	1.1
161.04460	0.9
173.04498	0.8
179.23178	0.8
183.07625	1.1
186.80150	0.7
199.09723	1.7
201.11354	1.7
207.05151	0.8
209.11723	5.6
227.06737	1.7
227.12958	2.1
229.14424	11.2
321.19125	1.0
363.16251	1.8
363.23981	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51157	1.0
59.01249	100.0
71.01240	2.7
71.37777	1.6
73.02814	1.8
85.75605	1.2
91.03880	4.1
96.95887	4.2
101.02325	1.7
125.05969	1.2
136.01524	1.1
137.09622	2.1
155.10684	23.7
156.10995	1.8
199.09692	17.0
227.12866	1.5
229.14372	16.6
230.14674	1.9
255.02933	2.0
284.03314	1.6
363.16733	5.6
363.23807	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	363.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16911	0.7
59.01249	100.0
60.01577	0.8
66.20921	0.6
70.04603	2.8
71.01257	2.4
72.99192	1.0
73.02824	1.0
74.98969	6.2
85.02840	1.0
89.02305	1.5
91.03891	3.1
96.95872	3.2
101.02320	1.2
113.02360	1.5
127.07552	1.0
135.06451	0.7
136.99043	3.9
139.11139	0.7
155.10719	1.6
170.78381	0.6
183.13841	0.9
191.05643	0.6
192.52014	0.6
199.09747	0.9
201.11430	0.8
209.11896	1.8
223.33879	0.8
227.12874	1.1
227.16441	1.2
229.14417	9.8
229.16483	0.9
230.14870	0.7
321.19196	0.9
363.11139	1.2
363.15396	3.1
363.23996	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23805	0.4
54.55555	0.4
59.01249	100.0
60.01584	0.9
60.20936	0.4
69.47032	0.4
69.58494	3.1
71.01257	0.8
71.49557	0.5
73.02819	0.9
74.98970	2.8
89.02318	0.5
96.11934	0.4
96.95887	3.5
97.77505	0.4
101.02327	1.5
111.31925	0.4
116.99568	0.5
128.48026	0.4
157.94127	0.5
163.00633	1.7
229.14375	1.0
259.96576	0.5
302.06970	0.5
348.10590	0.6
363.18848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01591	1.2
71.01273	0.8
71.04541	1.6
71.26131	0.6
85.02833	0.6
90.38197	0.6
96.95874	1.6
120.71973	0.7
266.70175	0.7
279.84506	0.7
321.19336	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	363.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	32.9
59.43977	5.6
70.02560	24.1
71.01237	6.0
109.50129	6.4
119.08546	16.5
125.09598	12.5
130.82111	5.4
156.77127	7.9
171.10164	9.1
201.11328	31.3
213.11229	25.9
245.45653	6.5
267.34332	6.9
289.17908	6.6
327.21735	100.0
328.22052	9.0
348.18875	6.0
363.17758	10.4
363.21884	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	363.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.9
59.00974	2.2
59.01248	16.7
67.01733	1.4
68.99678	1.4
69.03312	1.2
70.70854	3.8
71.01257	14.9
72.99180	3.6
73.02817	3.7
75.00729	4.3
79.95602	1.6
80.42249	1.4
82.02852	1.9
83.01254	2.1
85.02825	17.2
87.00764	6.8
87.10688	1.2
89.02323	5.0
95.01275	3.4
96.95889	58.5
98.95473	3.0
99.00735	3.7
99.04395	100.0
100.04734	2.5
101.02312	5.2
103.00275	1.3
108.04477	1.7
111.00789	3.3
111.58960	1.3
113.02318	14.9
113.05967	3.4
123.03171	1.3
136.03946	2.5
136.07587	3.4
138.05528	4.9
139.00342	1.4
147.77220	1.3
157.01376	1.4
164.03371	1.3
183.10141	2.1
205.07272	1.8
209.31932	1.1
227.08253	3.4
242.10551	2.0
249.06177	2.8
257.12939	10.2
258.13300	1.4
263.07690	6.2
267.07184	13.3
281.09045	1.6
287.10269	4.6
345.10938	1.5
363.06967	1.2
363.12790	29.3
363.16772	6.2
364.10587	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	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14683	0.6
57.03318	0.6
58.74375	0.6
59.01250	100.0
60.01588	1.0
69.66669	4.0
71.01266	2.3
73.02823	0.8
76.22032	0.6
96.95897	5.1
98.19783	0.9
101.02334	1.3
113.02322	1.2
119.03384	0.6
135.59354	0.6
140.34431	0.6
155.10596	3.4
199.09695	2.2
210.65292	0.6
246.66202	0.6
363.16638	0.8
363.23734	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	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14683	0.6
57.03318	0.6
58.74375	0.6
59.01250	100.0
60.01588	1.0
69.66669	4.0
71.01266	2.3
73.02823	0.8
76.22032	0.6
96.95897	5.1
98.19783	0.9
101.02334	1.3
113.02322	1.2
119.03384	0.6
135.59354	0.6
140.34431	0.6
155.10596	3.4
199.09695	2.2
210.65292	0.6
246.66202	0.6
363.16638	0.8
363.23734	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	363.1298
Annotation	Pyridaben
Peak:m/z	Relative Intensity
55.01763	1.7
57.03326	7.5
58.00470	1.9
58.18741	1.5
59.01251	43.2
67.01751	3.2
68.99683	2.5
69.03322	1.7
71.01252	46.7
71.44119	2.3
72.99182	8.2
73.02821	3.6
74.98963	2.1
75.00743	40.3
79.95623	2.8
80.96415	1.7
81.03326	1.6
82.02869	3.8
83.01263	3.0
85.02823	53.7
87.00742	20.2
89.01804	2.0
89.02315	12.1
91.03904	2.0
95.01265	12.4
96.95882	13.3
99.00756	18.7
101.02354	2.7
103.00266	5.2
111.00775	1.8
113.02332	59.2
113.05965	74.4
114.06380	3.5
115.00274	4.3
117.01843	5.8
129.01848	4.2
136.03944	1.7
137.09660	1.8
157.01361	2.3
164.03484	4.0
175.02448	5.1
194.04640	2.4
195.05281	1.5
196.06128	1.8
205.07178	3.8
207.05130	1.7
223.08197	1.6
231.05127	4.3
249.06140	57.8
267.07193	100.0
268.07675	5.4
287.10342	10.4
303.10962	1.8
331.09375	1.6
363.13034	87.7
364.13367	5.3
381.65515	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	363.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48257	1.4
57.03319	6.4
58.00465	2.0
59.01253	49.2
68.64803	1.4
71.01254	41.4
71.14861	4.3
72.99197	8.8
73.02821	4.3
74.99004	1.8
75.00748	21.0
78.92220	1.5
79.95622	2.7
83.01266	2.6
85.02822	36.2
87.00747	15.1
87.91653	1.8
87.92212	1.7
89.02312	15.4
95.01264	7.7
96.95888	37.8
99.00760	11.5
101.02311	9.0
103.00247	3.1
113.02330	50.0
113.05968	26.0
115.00274	2.0
117.01848	3.2
119.03374	3.6
131.03467	2.3
175.02383	3.1
198.30309	1.6
205.07101	4.3
207.05035	2.6
221.02371	1.7
223.08163	2.0
229.88484	1.8
234.79388	1.5
249.06129	13.7
267.07205	100.0
268.07587	3.0
283.07080	1.5
288.83319	1.9
321.15521	4.1
363.12677	42.3
363.16751	16.1
364.12955	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	362.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	0.5
59.01240	2.2
69.29435	0.8
69.29843	3.7
71.01260	0.8
72.00768	1.2
72.04415	8.2
73.02828	2.5
73.84067	0.4
74.02341	12.4
74.91077	0.4
84.04400	0.7
85.02858	0.4
85.86898	0.5
86.05991	3.1
88.00401	0.4
93.03339	3.4
96.95880	2.6
98.05962	0.5
100.00290	0.5
101.66598	0.4
106.04107	0.9
107.04901	1.9
117.92860	0.4
119.04061	0.5
119.04908	10.2
120.05199	0.5
135.08008	1.5
136.07582	1.5
137.09622	7.8
151.63141	0.4
154.12228	3.5
155.10677	1.7
163.03940	5.2
166.12331	0.6
168.13849	1.0
180.06575	20.3
181.07050	0.7
181.08659	1.1
192.10194	1.2
194.11774	3.0
198.11266	0.7
199.09718	1.0
212.12825	2.8
216.21078	0.4
238.10759	6.8
256.11847	5.2
274.18085	9.0
275.18466	0.6
287.77628	0.6
300.15900	2.7
312.10913	0.5
318.17072	4.4
320.21548	2.6
344.15042	1.2
362.16068	100.0
363.16455	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	362.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.4
59.01259	1.8
70.44119	0.3
71.01256	1.6
71.57272	0.4
72.99166	0.4
73.02804	0.3
75.00732	0.9
79.95611	2.6
80.96390	0.4
85.02802	1.2
87.00762	0.6
96.95889	100.0
97.95824	0.4
98.95466	3.6
98.96322	0.5
99.00764	0.7
113.02356	1.6
113.05970	1.9
155.10725	0.3
184.67204	0.2
196.70338	0.2
207.05153	0.3
249.06096	1.2
266.12955	0.3
267.07117	2.4
303.09283	0.6
305.10605	0.5
310.93231	0.3
362.12820	32.0
363.13101	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	362.161
Annotation	CHEBI:70406
Peak:m/z	Relative Intensity
55.01735	0.6
57.03329	0.5
59.01247	2.4
69.55866	3.0
70.02851	0.6
71.01237	0.7
72.00775	1.4
72.04417	11.5
73.02821	3.1
74.02344	16.3
83.04890	0.7
86.05965	4.5
93.03343	3.9
93.81301	0.5
96.95889	4.2
98.06000	0.5
100.00308	1.2
106.04120	1.0
107.04896	2.5
119.04910	12.5
120.05201	0.6
134.06070	0.7
135.04381	0.6
135.08052	2.1
136.07581	3.0
137.02415	0.4
137.09618	7.7
154.12279	5.0
155.10678	2.0
161.37183	0.5
163.03928	7.0
168.13863	1.1
171.90891	0.5
180.06580	24.7
181.07019	1.0
181.08606	1.5
182.08043	0.6
184.41820	0.5
192.10255	1.3
194.11812	3.8
199.09660	0.7
212.12862	3.9
238.10802	6.6
239.10983	0.7
244.13492	0.8
256.11893	5.9
256.16925	0.7
274.18137	9.7
275.18652	0.6
300.16064	3.1
318.17175	4.3
320.21585	1.5
344.14999	1.6
362.16077	100.0
363.12097	0.7
363.16409	10.8
363.20834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.1
58.67170	0.4
59.01249	29.8
63.17508	0.4
70.79753	0.4
70.97717	0.9
71.01247	2.6
72.99197	0.5
73.02811	3.9
74.08907	0.5
83.01257	0.8
83.04869	0.5
85.02830	2.3
87.00774	0.5
88.05661	0.4
89.02313	0.8
91.17175	0.5
93.03333	0.4
95.04932	0.9
96.95876	4.0
97.02820	0.5
97.06497	0.4
101.02321	1.9
111.08095	0.7
111.18493	0.4
113.02325	0.9
117.01830	0.7
129.05424	0.5
131.03409	0.4
137.09654	3.2
139.11183	25.0
140.06969	0.6
140.11510	1.3
143.03387	0.8
152.00101	0.9
155.10675	17.2
156.11008	1.0
161.04468	2.0
163.11180	1.2
165.09134	0.9
166.01659	0.6
180.06592	0.7
181.12257	13.0
182.12688	0.9
183.10182	27.7
184.10515	1.9
191.05579	0.5
199.09673	14.2
199.13324	9.7
200.10100	0.7
200.13698	0.9
207.10176	0.5
225.11285	8.3
226.11549	0.5
227.06757	1.2
241.10751	1.5
243.12341	100.0
244.12695	6.6
301.13251	0.6
301.20337	1.0
319.21442	0.4
343.14127	0.7
361.14993	41.8
361.22333	2.2
362.09015	2.3
362.15457	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	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23191	1.3
59.01252	100.0
71.01261	3.2
71.57733	2.0
79.95620	2.6
82.04945	1.4
83.04907	3.0
85.02823	2.6
96.95894	15.0
101.02347	1.7
102.98494	1.7
113.02347	2.1
113.07168	1.6
119.04960	1.7
120.99567	2.2
125.09628	1.4
159.50932	1.5
165.12834	1.8
173.04555	1.7
181.12268	1.7
187.03935	3.0
191.05536	2.8
197.11703	2.2
209.11780	88.6
210.12115	5.4
217.10814	1.6
227.12904	2.5
231.10606	5.3
239.43398	1.7
243.12346	3.6
246.49629	1.7
319.11850	2.4
361.09705	5.1
361.18576	6.3
361.22369	6.1
361.26041	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	361.1506
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.03319	0.8
58.00477	1.3
59.01243	4.8
71.01247	3.3
71.38197	0.5
73.02813	4.7
85.02821	1.6
87.04381	6.3
96.95881	0.6
101.02316	6.3
102.74749	0.5
113.02321	1.2
117.33676	0.4
127.17960	0.4
135.08047	2.4
137.09612	17.5
138.09955	0.8
139.11197	1.6
151.11169	0.7
155.10678	100.0
156.10997	5.3
169.12216	3.9
181.08635	3.6
197.11592	0.6
199.09680	60.2
200.10004	2.8
213.11208	3.4
241.10779	13.4
241.13167	0.9
242.11063	0.5
253.10841	0.6
271.11844	1.1
285.12411	0.4
301.12912	4.1
361.15109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30626	0.2
59.01250	0.8
65.44337	0.3
65.72289	0.2
67.53613	0.2
71.01250	0.5
71.57002	0.3
79.95583	1.4
85.02818	0.4
96.04373	0.3
96.95889	100.0
97.95818	0.4
98.95458	1.1
101.02345	0.3
111.04424	0.3
124.80648	0.3
138.05521	0.3
148.72092	0.3
153.62393	0.3
155.10652	0.6
162.05518	0.8
176.41057	0.3
191.05515	0.5
199.09692	0.5
222.11301	0.3
263.06006	0.5
280.15579	0.3
317.15091	0.6
342.10233	0.6
360.11203	18.1
361.11359	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	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42799	0.5
53.22007	0.5
59.01252	22.8
70.09087	0.8
70.09436	2.7
70.51289	0.6
117.68834	0.5
164.88374	0.5
259.20435	0.6
271.87097	0.6
275.20038	0.7
277.21704	100.0
278.22095	9.5
359.22095	14.4
360.22525	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	359.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25789	0.6
59.01249	2.4
60.39599	0.6
61.28124	0.6
61.96549	0.6
68.99686	21.9
69.58370	3.3
71.01244	1.8
72.99162	0.7
80.04926	28.7
86.62159	0.6
93.03312	1.5
96.95876	2.9
98.19816	1.4
104.04916	3.2
106.06523	2.2
107.03661	3.0
108.02073	1.5
108.04445	2.0
116.04982	0.9
118.06486	0.6
122.06004	19.7
122.58724	0.6
132.04442	100.0
133.04800	3.0
134.03632	1.5
134.05989	1.5
135.04410	1.6
137.02312	1.1
139.02742	0.7
144.04456	2.0
150.05508	28.9
151.03970	0.8
152.07076	55.2
153.07408	1.9
153.09122	1.5
162.03154	1.1
162.05505	8.7
163.03915	0.9
173.04402	0.8
185.11766	1.0
191.05531	1.0
197.08067	1.1
237.09183	2.4
239.11778	0.6
243.16057	0.9
245.12975	0.6
253.08514	0.6
269.12881	0.9
273.12442	1.5
296.06094	0.6
297.12427	59.0
298.12720	5.4
315.13501	38.1
316.13693	3.8
359.07800	0.9
359.12323	1.5
359.20978	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	357.0979
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
55.38689	0.4
59.98719	0.5
65.00228	0.6
67.25636	0.5
69.27026	5.5
69.27416	0.9
79.49672	0.5
91.01778	3.0
93.03341	5.1
96.99193	5.5
98.20524	1.4
106.04093	0.6
108.02046	1.0
109.02835	0.8
111.00790	0.6
117.03366	1.3
119.04914	15.9
120.05236	0.6
121.02843	1.0
123.04412	7.2
130.04121	1.4
131.04906	2.0
133.02835	2.5
134.02629	1.2
134.03627	19.4
135.04437	5.0
137.02327	1.0
143.04926	8.0
145.02859	3.2
146.03659	4.0
147.04369	2.0
148.01526	0.9
148.05177	1.1
149.05933	2.3
158.03601	2.7
159.04408	6.6
160.01561	0.8
160.04794	0.7
161.06021	3.1
163.03926	6.9
171.04404	0.7
173.05986	2.4
175.03926	0.7
176.49637	0.5
178.02644	2.0
187.03989	0.8
193.04967	4.0
211.07500	0.9
226.06250	2.7
235.07660	1.1
238.06128	0.6
241.08665	2.6
250.06290	1.0
251.07112	14.3
252.07829	5.8
253.08624	8.1
254.09215	3.0
263.07123	1.1
265.08594	1.0
267.10284	0.9
279.06619	4.7
280.07407	11.5
281.07822	1.5
295.09738	9.6
311.09073	0.6
313.10760	5.6
324.06473	2.0
339.08749	4.0
340.08932	0.7
357.09772	100.0
358.10141	9.5
366.74109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	95.9
60.01581	1.0
65.87479	0.4
66.36514	0.4
68.99684	9.5
70.89737	1.1
71.01260	0.6
80.04929	15.5
81.03349	0.4
81.05301	0.4
85.02833	0.5
92.04955	1.4
93.03338	2.5
94.06509	1.7
95.01260	1.7
96.95885	0.7
104.04955	2.4
106.06504	11.6
108.04416	2.2
109.02828	0.6
110.02376	0.9
111.04408	0.5
116.04945	2.3
118.06517	1.6
120.04419	2.1
120.99518	0.5
121.02834	2.4
122.06004	10.1
122.06861	0.7
123.04440	3.5
130.06456	0.7
132.04449	50.0
133.04736	2.1
134.06013	95.3
135.04405	1.4
135.06345	3.3
144.04463	8.0
146.02501	0.4
146.05984	0.8
147.03165	1.4
148.03954	1.1
148.07564	1.9
149.06064	0.5
150.05513	30.2
151.05812	1.2
152.07063	1.7
158.06026	5.6
161.04736	0.9
162.05513	27.0
163.05937	1.0
173.04489	0.9
174.05533	0.6
174.07886	1.0
175.08672	2.9
176.07079	2.2
177.05470	1.3
183.09178	0.7
193.07634	0.5
194.08183	2.9
195.05328	0.6
198.09247	0.4
199.12334	3.5
200.12643	0.5
203.07095	1.1
207.09229	0.6
207.74823	0.4
208.09784	0.6
211.08713	1.7
221.07256	1.6
221.10941	0.4
223.08795	0.7
223.12360	2.1
225.10335	1.4
226.10872	0.6
227.11830	7.8
228.12102	0.6
235.08765	2.0
236.09491	2.1
239.08217	1.4
241.13477	3.8
242.13744	0.5
249.06618	1.6
249.10228	0.7
250.11066	0.7
251.11862	14.0
252.12215	0.9
253.09708	1.4
253.13644	0.5
255.11308	3.3
263.08212	1.8
264.09073	3.6
265.09326	0.6
268.07254	0.5
269.12946	21.5
270.13239	1.6
278.10504	0.9
279.11383	48.1
280.11804	3.8
281.09406	0.6
282.10162	0.7
297.12439	100.0
298.12753	8.5
299.09390	0.5
312.06369	1.0
313.11282	0.4
315.02225	0.5
315.13422	1.2
327.08820	2.1
339.13568	3.6
342.11035	1.9
357.09848	0.6
357.14334	5.3
358.14639	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	357.0616
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
54.82633	0.2
59.01260	0.5
77.03846	0.3
80.02483	0.2
84.04450	0.2
93.03368	0.2
96.95854	0.3
121.02843	100.0
122.03177	3.3
127.98596	0.2
135.04422	0.2
165.01837	0.7
180.05780	1.8
181.06509	6.8
182.06865	0.6
223.10988	0.2
225.05521	6.4
226.05962	0.5
269.08246	0.5
288.26361	0.2
313.07181	7.8
314.07480	1.0
327.25128	0.4
357.06146	29.6
357.26404	3.3
358.06485	3.3
358.26837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0978
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
54.19567	0.4
59.01245	1.1
69.85699	0.9
69.86109	1.9
71.01251	1.0
89.02326	0.6
89.84418	0.4
90.08881	0.4
91.01774	2.6
91.60432	0.4
93.03328	6.1
96.95899	1.2
96.99177	4.1
99.23619	0.5
101.02287	0.6
108.02042	1.4
109.02840	0.7
111.00758	0.5
111.04408	0.8
117.03333	1.4
118.73267	0.4
119.04911	18.7
120.50813	0.4
121.02866	0.7
123.00787	0.5
123.04407	7.0
124.01499	0.7
130.04120	0.8
131.04933	2.3
132.02008	0.4
132.05618	0.5
133.02827	1.8
134.03633	18.4
135.04424	5.5
137.02283	1.0
143.04919	6.8
145.02866	2.0
146.03642	3.0
147.04408	1.5
148.01627	0.4
148.05170	1.3
149.05978	2.8
155.03374	0.8
156.91846	0.4
158.03621	2.3
159.04443	5.0
161.06004	2.2
163.03926	5.5
171.04478	0.5
173.04489	12.8
173.05977	1.7
174.03070	0.5
174.04797	0.5
175.03822	0.6
178.02609	1.2
183.04410	0.9
183.10153	1.3
187.03947	0.9
193.04988	4.1
205.69995	0.4
211.07512	0.7
226.06335	2.0
235.07733	1.0
241.08664	1.6
242.13928	0.5
250.06308	1.4
251.07141	14.2
252.07915	4.6
253.08650	5.9
254.09352	3.8
265.08661	0.6
267.10269	1.1
279.06586	4.0
280.07391	11.6
281.07690	0.8
295.06470	0.7
295.09723	9.0
299.22260	0.5
313.10815	7.5
314.11319	0.8
324.06454	1.3
339.08664	3.8
357.09775	100.0
358.10147	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	356.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01853	0.8
57.03334	4.1
59.01248	5.9
59.04042	0.8
66.57275	0.8
70.93102	2.9
71.01251	2.5
71.04891	8.8
72.04411	1.2
73.02814	4.0
79.95580	1.0
81.03329	15.8
83.04893	92.1
84.04418	1.8
84.05221	1.6
85.02818	2.1
85.06453	11.0
86.02348	4.0
87.00788	1.0
89.02277	1.2
93.03343	1.3
95.04877	1.4
96.95873	2.0
97.06487	1.0
100.03910	1.7
100.07577	1.1
101.05960	2.4
102.05479	2.1
106.06503	39.5
107.06839	1.8
110.05997	10.6
111.04395	1.8
111.08037	0.9
113.02306	0.9
113.05963	8.0
113.09612	9.5
114.05470	1.7
114.09122	1.1
118.06492	1.4
118.97958	1.0
119.04904	4.8
123.04418	1.1
127.03901	9.7
128.03401	1.8
128.07054	2.4
130.08607	4.9
131.07030	36.1
132.05664	1.0
134.03619	3.6
134.06021	1.4
135.04433	3.0
137.09558	1.9
139.07541	57.2
139.11143	1.5
140.07892	2.8
143.07074	1.7
145.05006	5.7
146.06007	1.0
149.05980	1.0
150.05495	27.9
151.05832	1.5
154.08647	7.9
155.10753	1.2
156.10197	5.9
157.08601	100.0
158.08940	5.3
163.03880	2.1
164.07106	7.4
171.10158	3.2
172.09656	3.7
173.04451	4.0
174.11270	30.8
180.13872	1.6
181.08609	1.3
183.10207	2.9
186.11261	1.4
188.09296	1.4
192.06631	6.0
194.04503	9.1
197.11758	5.9
199.09685	62.4
200.10051	3.6
203.23807	0.9
206.11786	1.6
212.12918	1.1
215.12819	3.8
224.12898	12.1
225.13203	1.0
236.05600	2.9
242.13930	21.2
243.14328	1.9
251.07018	1.3
252.08038	0.9
253.08458	1.5
296.07733	2.4
297.12375	1.6
313.10928	2.6
338.19836	3.6
356.20782	81.8
357.09851	14.3
357.14285	1.7
357.21234	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	356.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.2
59.01250	12.9
62.86525	0.8
69.37308	8.9
71.01257	4.1
71.04884	7.5
73.02817	3.6
74.02338	1.3
81.03334	13.6
83.04895	86.4
84.05229	2.8
85.02807	2.1
85.06448	8.2
86.02346	2.3
87.08056	0.9
93.03326	1.7
95.04886	1.9
96.95875	5.8
97.06436	1.3
98.19833	1.8
98.95458	1.2
99.46935	0.9
101.02330	1.2
102.05502	1.9
106.06512	12.1
107.06812	1.5
110.06010	4.0
112.43124	0.8
113.05967	8.7
113.09591	7.9
114.05488	3.2
115.00281	1.2
119.04913	7.9
119.34524	0.8
122.06004	1.9
123.04417	1.1
127.03895	7.0
129.05502	1.2
130.08636	5.8
131.07034	27.7
132.04486	2.6
134.03624	1.8
134.06007	7.6
135.04364	1.1
136.01575	5.0
137.09636	2.4
139.07549	45.7
140.07823	1.6
143.04877	1.2
143.06934	1.3
145.02870	2.0
145.04912	2.5
146.03615	2.5
147.04414	1.3
150.05510	9.8
151.03920	6.0
152.07080	1.3
152.40663	1.0
154.08635	3.6
155.10623	1.5
156.10205	3.2
157.08607	100.0
158.08948	4.4
159.04376	1.2
161.06038	2.3
162.05521	1.9
163.03893	3.5
164.07095	1.2
167.06088	6.5
172.09692	4.9
174.11258	21.0
180.13863	2.7
181.08723	1.4
183.10262	1.6
184.03670	1.2
186.11263	2.1
194.04494	2.5
197.11772	8.5
199.09683	62.0
200.10013	3.8
206.11679	1.9
207.05026	2.5
215.12848	4.4
222.06767	1.8
224.12857	8.7
225.06569	1.1
226.06242	5.1
236.08238	4.1
242.13927	22.3
243.14240	1.8
251.07166	2.2
251.11806	1.1
252.07813	1.7
253.08611	5.6
254.09445	15.5
264.07828	3.2
266.06815	2.0
266.09338	3.5
278.29434	0.9
279.06699	1.5
279.11127	1.0
280.07388	3.2
280.15283	0.9
282.08646	1.5
284.10504	3.1
294.08762	6.3
294.21219	1.0
295.09561	1.3
297.12473	14.1
312.09958	1.7
312.26825	1.2
326.07730	1.6
338.19751	3.2
356.08896	6.2
356.20773	68.5
356.25070	3.3
357.09750	12.9
357.14078	3.4
357.21057	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	356.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41740	0.6
57.03329	1.4
59.01252	28.7
60.80634	0.7
66.33179	0.7
69.82824	2.8
69.83228	1.0
71.04886	3.1
79.45093	0.6
81.03350	0.8
81.50531	0.6
83.01242	1.1
83.04872	0.9
83.78432	0.8
85.02818	1.2
86.02343	3.0
87.00753	1.1
88.03945	0.8
96.95872	2.0
97.06454	3.9
98.02345	3.4
99.04395	100.0
100.04733	2.6
101.02318	7.4
114.05491	3.8
114.09171	0.9
115.07542	5.8
116.07092	0.9
120.99542	1.4
124.03915	0.9
125.09653	1.1
126.05488	0.9
127.11185	13.9
137.09729	0.6
142.05052	4.5
142.08623	4.4
143.03400	33.5
144.03773	1.0
144.06560	10.1
153.12727	3.7
161.04501	0.8
164.14383	1.5
169.12256	7.6
182.15405	3.7
186.07664	1.4
191.14352	0.8
201.11208	1.1
204.08754	7.3
212.16547	4.1
276.19614	1.3
278.17587	1.1
296.11057	1.1
338.19748	1.8
356.20776	7.7
356.24927	1.4
357.09726	1.2
357.22482	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	356.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41740	0.6
57.03329	1.4
59.01252	28.7
60.80634	0.7
66.33179	0.7
69.82824	2.8
69.83228	1.0
71.04886	3.1
79.45093	0.6
81.03350	0.8
81.50531	0.6
83.01242	1.1
83.04872	0.9
83.78432	0.8
85.02818	1.2
86.02343	3.0
87.00753	1.1
88.03945	0.8
96.95872	2.0
97.06454	3.9
98.02345	3.4
99.04395	100.0
100.04733	2.6
101.02318	7.4
114.05491	3.8
114.09171	0.9
115.07542	5.8
116.07092	0.9
120.99542	1.4
124.03915	0.9
125.09653	1.1
126.05488	0.9
127.11185	13.9
137.09729	0.6
142.05052	4.5
142.08623	4.4
143.03400	33.5
144.03773	1.0
144.06560	10.1
153.12727	3.7
161.04501	0.8
164.14383	1.5
169.12256	7.6
182.15405	3.7
186.07664	1.4
191.14352	0.8
201.11208	1.1
204.08754	7.3
212.16547	4.1
276.19614	1.3
278.17587	1.1
296.11057	1.1
338.19748	1.8
356.20776	7.7
356.24927	1.4
357.09726	1.2
357.22482	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	355.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.1
59.01245	4.2
69.78204	3.2
69.78616	1.6
71.01243	3.3
77.69081	1.0
79.95605	11.0
85.02837	6.1
89.79144	0.9
96.95888	100.0
98.95486	4.5
101.02299	1.1
103.74051	0.8
106.26363	0.9
122.97475	6.1
135.04410	1.0
137.02283	0.9
151.03792	1.9
160.59424	0.8
160.98697	1.0
173.04469	1.1
176.04033	1.3
176.54074	0.8
191.01836	1.2
191.05490	1.0
193.12251	1.5
207.27400	0.9
209.02959	2.2
215.78564	1.2
219.06866	2.3
251.05840	1.6
258.56735	0.9
266.17752	1.1
319.08536	2.4
337.09592	2.8
355.10648	7.9
355.17612	3.0
356.11514	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	355.2276
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01246	3.0
61.80392	1.0
67.62354	1.1
69.81661	1.0
85.02827	3.8
95.95186	1.1
109.02827	2.7
111.00796	1.4
120.09612	1.1
121.65287	1.1
122.03613	12.5
127.07527	2.4
129.79869	1.3
135.04404	25.7
136.01558	3.4
147.08047	2.7
149.05960	1.6
149.09627	9.7
151.07556	3.8
154.02638	3.0
158.55522	1.1
161.09641	11.6
163.07526	4.2
163.11188	58.4
164.08345	17.6
164.11519	3.1
165.09113	9.9
177.09120	73.1
178.09911	21.8
179.10692	79.1
180.11046	4.4
183.10138	3.0
191.01924	1.4
191.10707	14.2
193.08609	9.8
211.20964	1.1
212.55891	1.1
265.12427	1.3
279.13858	1.5
280.14670	4.6
298.15732	55.1
299.16006	5.3
309.22342	1.5
310.16751	1.2
321.18811	2.2
337.21722	48.9
338.22067	5.4
340.20404	82.0
341.20822	12.3
355.22778	100.0
356.23163	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	355.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29375	0.5
55.01747	2.8
56.02236	0.5
57.03326	16.5
59.01251	9.7
68.99689	0.6
70.53205	1.9
71.01256	7.2
71.64396	0.6
72.99181	2.1
75.00740	2.4
83.01263	3.1
84.02045	2.1
85.02821	100.0
86.03140	1.6
87.00744	2.1
89.02341	1.2
93.03347	1.2
93.29421	0.5
96.05707	0.5
101.02334	0.7
103.00237	1.1
111.00785	4.3
115.00285	0.6
119.04904	3.7
121.02856	2.2
123.06085	0.5
129.01837	7.5
133.01328	1.1
147.02893	8.5
163.03952	2.0
173.00800	1.4
173.04375	0.9
181.05034	0.8
191.01909	23.0
191.05489	0.7
209.02974	33.2
210.03270	1.1
212.11546	0.7
299.37802	0.6
347.79919	0.7
355.06693	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	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	8.1
59.01237	4.1
69.64805	3.7
69.65211	7.1
71.01237	5.7
74.78635	1.5
84.02058	2.7
85.02822	95.2
88.59255	1.5
89.02303	1.9
90.84589	1.5
111.00753	3.4
119.04909	2.7
121.92661	1.9
129.01816	8.9
131.59315	1.6
133.01303	2.0
141.47427	1.8
147.02922	13.1
147.66864	1.6
162.81163	1.7
163.03842	2.7
173.00801	3.5
182.45288	1.5
191.01903	43.9
209.02963	100.0
210.03279	4.4
349.79922	2.0
366.46252	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	354.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59746	0.4
55.01747	0.7
55.90686	0.4
57.03321	0.8
59.01250	56.7
60.01572	0.4
69.67553	2.4
71.01250	0.6
71.04894	1.6
83.04910	0.5
85.02831	2.4
85.06474	0.5
87.04397	0.8
96.08088	0.6
96.95906	0.5
97.06455	0.8
99.00750	2.5
99.04482	0.4
106.14727	0.3
109.06474	0.5
111.04384	1.6
111.08058	1.0
115.07536	100.0
116.07891	2.4
125.09592	0.4
127.10359	0.4
127.11147	1.9
135.04431	1.7
136.04803	1.0
136.07530	0.4
140.07042	0.3
150.26889	0.4
152.10687	1.9
153.09117	0.4
156.10214	2.5
171.10161	6.3
191.01997	0.8
191.05513	1.4
192.05807	0.7
196.09729	3.5
206.15416	1.5
209.02893	0.7
210.06165	0.4
218.90268	0.4
220.16956	0.9
238.10808	6.6
239.10989	0.4
250.14380	0.8
250.18022	0.9
251.06921	0.5
252.07858	2.4
256.11847	2.3
264.16119	0.4
267.10153	2.2
295.10767	0.6
354.19083	0.8
354.23679	1.5
355.24628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1921
Annotation	2'-Acetylheliotrine
Peak:m/z	Relative Intensity
51.14988	0.1
55.01752	0.7
56.33422	0.2
57.03311	0.2
59.01249	100.0
60.01596	0.8
71.04893	0.5
71.13952	0.2
73.02819	0.2
74.77544	0.1
77.49451	0.1
79.95632	0.2
83.04909	0.2
85.02835	0.6
85.06458	0.9
87.04395	0.3
96.08068	0.3
96.95911	0.6
97.06464	0.9
99.00754	3.2
99.04408	0.4
102.05482	0.2
107.04900	0.1
109.06469	2.8
111.04401	16.3
111.08028	0.3
112.04758	0.4
114.09156	0.4
115.07536	5.9
116.07867	0.2
120.60974	0.1
122.09680	0.3
127.07541	4.9
127.11172	0.2
128.07892	0.2
129.05464	0.2
134.06035	0.4
135.04442	0.2
136.07603	0.2
138.09189	0.2
140.10710	2.0
141.60477	0.1
142.05054	0.2
147.04388	0.1
148.03882	0.2
152.10739	1.3
153.05515	0.2
156.10228	1.2
158.11765	1.8
171.10168	0.2
175.03993	0.2
187.98917	0.1
191.05573	0.5
192.05908	0.2
194.15459	0.7
196.09726	2.2
232.34680	0.2
238.10936	0.3
250.18196	0.6
254.17764	0.2
256.11942	0.9
276.16040	0.3
294.17090	2.8
295.10941	0.6
312.18311	0.8
354.19293	3.1
354.23676	0.5
355.12219	0.4
355.19614	0.3
355.25192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	9.0
59.01249	5.7
71.01251	3.3
71.04887	3.7
71.29742	1.9
81.03333	1.2
81.06959	2.0
83.04893	21.4
85.02820	10.7
85.06459	1.1
87.04385	38.8
93.03335	1.2
95.04894	9.1
96.11079	0.8
96.95901	1.5
98.03593	0.8
99.04393	6.7
101.05996	1.3
108.97495	0.8
109.21594	0.8
111.04409	1.1
113.05966	18.2
115.07537	1.0
116.53606	0.8
119.98840	1.0
123.08058	1.3
125.09603	1.4
127.73365	0.8
135.04439	7.4
135.08034	1.9
143.10635	2.9
153.09123	13.1
162.02650	0.9
171.10167	27.8
172.10559	1.1
173.04475	3.1
179.03419	5.5
191.05524	19.2
192.06023	1.0
203.17975	15.8
204.18330	1.1
207.05054	3.3
233.18925	1.4
255.21155	1.4
291.23260	1.6
304.10400	1.1
309.24307	5.8
341.42453	1.0
346.70953	1.0
353.23297	100.0
354.23639	11.0
354.53873	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	353.2333
Annotation	Prostaglandin H1
Peak:m/z	Relative Intensity
57.03320	9.0
59.01249	5.7
71.01251	3.3
71.04887	3.7
71.29742	1.9
81.03333	1.2
81.06959	2.0
83.04893	21.4
85.02820	10.7
85.06459	1.1
87.04385	38.8
93.03335	1.2
95.04894	9.1
96.11079	0.8
96.95901	1.5
98.03593	0.8
99.04393	6.7
101.05996	1.3
108.97495	0.8
109.21594	0.8
111.04409	1.1
113.05966	18.2
115.07537	1.0
116.53606	0.8
119.98840	1.0
123.08058	1.3
125.09603	1.4
127.73365	0.8
135.04439	7.4
135.08034	1.9
143.10635	2.9
153.09123	13.1
162.02650	0.9
171.10167	27.8
172.10559	1.1
173.04475	3.1
179.03419	5.5
191.05524	19.2
192.06023	1.0
203.17975	15.8
204.18330	1.1
207.05054	3.3
233.18925	1.4
255.21155	1.4
291.23260	1.6
304.10400	1.1
309.24307	5.8
341.42453	1.0
346.70953	1.0
353.23297	100.0
354.23639	11.0
354.53873	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	353.2332
Annotation	Prostaglandin H1
Peak:m/z	Relative Intensity
57.03326	16.6
59.01246	7.0
67.01771	1.1
71.01231	2.0
71.04892	41.5
71.13441	0.9
71.13818	1.8
72.02032	1.2
72.05238	0.8
73.02824	1.5
79.95578	0.9
83.04889	2.9
85.02817	6.3
85.06458	1.7
87.04391	48.1
93.03355	3.7
96.95904	2.5
97.06467	2.0
99.04382	1.9
101.05959	1.6
109.06456	2.9
111.08054	7.6
115.47993	0.8
117.03391	0.9
125.09590	3.3
135.04410	11.0
135.08022	0.9
135.11732	1.0
137.09622	6.8
139.11221	4.5
141.12755	22.8
151.11217	4.4
153.12743	8.4
155.03494	1.1
155.10674	3.1
161.02333	1.5
163.11168	1.6
169.12260	10.0
173.04515	5.3
177.12782	8.1
179.03404	9.2
181.12262	1.8
183.13834	16.2
184.14195	1.0
187.07585	1.5
191.05571	28.3
192.05884	1.7
193.15979	2.1
207.05058	3.5
215.19592	0.9
221.19070	12.1
223.20566	2.6
227.16492	1.1
233.17003	1.3
233.19003	6.8
251.20142	9.7
252.20439	1.3
265.21716	38.1
266.22061	4.2
270.62057	1.0
273.22333	1.9
291.23276	2.5
309.24362	30.4
310.24649	4.7
353.23328	100.0
354.23685	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	353.2332
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
57.03323	16.0
59.01254	9.5
62.95801	0.6
63.77495	0.6
67.44141	0.7
69.56455	4.7
70.80830	0.6
71.01252	5.7
71.04903	3.5
71.23585	0.6
72.02040	4.5
73.02811	2.5
82.53001	0.6
83.04918	1.5
85.02824	8.2
87.04389	97.2
88.04734	1.5
93.03340	2.5
95.95184	0.6
96.95888	2.4
97.06457	1.2
99.04395	2.2
100.09747	0.7
101.05952	1.7
109.02850	1.1
109.06459	1.0
111.04419	0.8
111.08038	2.5
111.92601	0.7
119.08562	2.6
121.06567	0.7
123.08063	0.8
125.09618	1.0
127.03961	0.8
133.02835	2.7
135.04431	7.0
135.08000	0.9
135.11676	2.3
137.09621	34.3
138.09956	1.3
141.64684	0.9
151.11176	0.8
153.12799	4.8
153.13809	0.8
155.10681	11.0
159.10153	2.9
161.02350	6.9
162.02672	0.7
169.12238	8.9
171.13826	3.1
173.04501	5.9
179.03416	5.9
181.12250	2.3
191.05524	16.6
191.07130	1.3
192.05881	1.4
197.11909	0.8
201.72377	0.7
203.17975	2.5
207.05060	2.1
243.80681	0.7
353.06790	2.8
353.23312	100.0
354.23627	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	353.2333
Annotation	Prostaglandin H1
Peak:m/z	Relative Intensity
51.42979	1.1
56.37766	1.0
57.03330	13.7
59.01244	7.9
65.72897	1.0
67.01756	1.3
71.01258	4.6
71.04892	42.6
72.02034	1.3
73.02810	1.5
76.24831	1.0
79.95599	1.3
82.78370	1.0
83.04887	3.4
85.02820	9.2
85.06455	1.5
87.00761	3.4
87.04391	48.1
93.03322	5.6
96.95895	6.0
97.06450	1.4
99.04392	2.0
101.05959	1.9
106.04083	1.2
109.02823	1.9
109.06469	1.9
111.00761	1.5
111.04400	1.9
111.08046	8.8
119.04870	1.5
125.09601	2.6
127.03897	2.0
133.02867	2.4
134.03705	5.4
135.04443	34.0
136.04756	15.6
137.02345	4.0
137.09625	5.9
138.02707	2.4
139.07611	1.1
139.11168	3.8
141.12758	24.6
149.60811	1.4
151.03929	2.0
151.11192	4.4
153.12732	9.5
155.10629	1.7
156.59955	1.3
160.29826	1.1
161.02328	2.7
162.02975	1.1
169.12289	8.6
173.04478	9.0
177.12787	6.3
178.02605	2.4
179.03410	18.5
180.03751	4.2
180.06807	1.1
181.12234	2.4
183.13844	14.9
187.07635	2.9
191.05545	48.4
192.05852	1.9
193.15788	1.3
207.05038	4.8
213.09409	1.2
221.19067	10.6
233.19020	6.2
239.07205	1.4
251.20131	10.3
265.21713	36.1
266.22012	3.7
291.23386	3.0
309.24341	31.5
310.24673	2.8
353.08670	4.1
353.14157	6.9
353.23318	100.0
354.23694	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.53105	0.2
54.04068	0.2
59.01243	1.0
61.82195	0.2
66.15765	0.2
70.80643	0.3
70.81010	0.6
74.33872	0.3
87.56261	0.2
89.98723	0.2
93.40515	0.3
96.95878	1.3
107.04881	0.4
147.07979	0.5
152.99545	0.3
163.11185	92.6
164.11517	5.5
177.09117	71.3
178.09470	3.9
178.67805	0.3
181.53825	0.3
191.05513	0.4
194.48749	0.3
197.02763	0.7
222.08897	0.9
285.95569	0.3
353.21182	100.0
354.21536	13.6
354.26010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
57.03316	0.2
59.01255	1.5
67.01759	0.7
69.03303	0.4
69.23328	0.2
70.91451	0.6
71.01253	0.9
73.02817	0.4
78.02829	0.2
81.03309	0.9
83.04892	1.1
85.02821	7.8
87.00754	1.6
93.03342	5.3
95.01266	0.3
96.95895	0.9
99.00730	0.2
99.04359	0.6
102.98479	1.3
109.02824	1.0
111.04398	2.0
118.60915	0.2
127.03897	1.9
133.02832	1.4
134.03619	1.0
135.04410	8.2
137.02357	0.8
155.03429	0.7
161.02315	1.9
169.02216	0.3
171.02898	0.6
173.04465	8.2
178.02577	0.3
179.03418	7.4
180.03717	0.4
191.05536	100.0
192.05852	3.5
193.05002	0.3
207.05063	1.0
208.01935	0.3
223.04256	0.3
353.09305	1.5
354.19247	0.6
369.09808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.01244	1.1
67.01763	0.4
69.38815	1.2
69.39263	1.0
71.01250	1.0
73.02808	0.3
74.12098	0.3
81.03329	0.5
83.04884	1.4
85.02819	7.9
87.00748	1.4
91.05402	0.5
93.03333	5.5
96.95895	2.3
102.26933	0.3
107.04870	1.5
109.02843	0.8
111.04379	2.2
117.03330	0.8
127.03912	2.1
128.03407	1.0
133.02844	1.8
134.03624	5.5
135.04408	62.1
136.04721	2.6
137.02357	0.6
149.72604	0.3
152.01460	0.3
155.03421	2.2
161.02341	3.5
171.02934	0.5
173.04472	10.3
179.03412	58.2
180.03745	2.9
191.05530	100.0
192.05858	3.8
195.20412	0.3
205.69989	0.2
207.05089	0.9
353.08755	16.8
353.12534	1.0
354.09232	1.6
354.19229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.8
59.01245	5.7
70.36018	0.7
71.01254	1.5
71.33002	0.6
71.57137	1.2
73.02821	1.6
74.02334	0.8
79.95608	32.7
83.04887	0.9
85.02809	3.3
85.63096	0.6
87.00742	1.0
87.40060	0.7
93.03342	1.7
95.95113	2.9
96.95888	100.0
99.00721	0.7
101.02298	0.8
103.28677	0.7
109.02841	1.7
111.04396	1.0
123.08048	0.7
127.03838	0.9
127.80093	0.6
133.02910	0.8
135.04422	8.5
136.04741	0.8
139.07545	0.7
149.09598	1.1
151.00580	1.1
161.02368	1.7
163.03850	0.7
173.04488	3.8
179.03433	6.0
179.10593	0.7
186.01682	0.8
191.03485	2.1
191.05525	16.4
191.10622	0.9
192.05899	0.9
195.13766	0.9
207.05006	7.8
207.06935	5.7
211.13304	0.9
224.09074	0.8
239.12798	2.7
255.12427	1.3
263.05930	5.8
265.03809	2.3
273.13333	1.5
280.02411	1.4
291.09091	2.8
293.06912	2.2
317.07825	0.8
319.08600	5.4
353.09067	17.7
353.12970	1.5
353.16162	0.9
354.09555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49586	0.4
56.67575	0.4
57.03325	2.4
59.01244	2.7
65.03832	1.0
67.01775	0.5
69.03324	0.8
69.35139	0.4
71.01257	4.1
71.43782	0.7
72.99187	2.4
73.02812	5.0
78.43406	0.5
81.03340	4.8
83.01255	0.9
83.04894	1.8
85.02820	13.9
87.00735	4.0
93.03355	2.3
95.01250	1.1
97.02820	1.1
99.00768	2.4
99.04386	2.2
101.02319	6.8
103.00269	2.6
108.02046	1.3
109.02836	14.3
111.04382	0.6
119.04917	10.9
120.05267	0.6
124.08485	0.4
125.02332	1.3
126.95043	0.4
127.03917	5.9
129.01836	5.2
131.03450	0.6
135.04420	6.1
143.03432	0.7
147.02875	0.6
155.03461	0.5
163.03908	6.5
163.49532	0.5
173.04457	7.1
179.03415	4.9
189.03978	6.9
191.05550	5.3
207.05037	100.0
208.05348	3.4
263.94577	0.4
267.65228	0.6
353.08716	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.4
59.01251	0.8
69.77525	1.7
71.01237	1.7
72.99172	1.6
73.02826	1.2
78.04176	0.4
81.03335	0.9
83.04874	1.0
85.02821	6.1
87.00758	1.7
88.21822	0.3
96.95892	1.2
97.02828	0.3
99.00756	2.6
99.04395	1.1
101.02318	2.5
109.02831	4.1
117.01794	0.8
119.04912	1.7
125.02318	0.6
127.03914	2.8
129.01833	5.7
135.04384	0.5
143.03281	0.3
147.02872	0.6
163.03909	1.2
189.03917	1.2
191.05452	0.4
207.05037	100.0
208.05386	4.7
353.08667	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40638	0.1
56.48455	0.1
57.03318	0.4
59.01242	1.8
60.99166	0.6
67.01756	2.0
69.03319	0.6
69.76964	0.9
70.70949	0.1
71.01247	1.6
71.48440	0.1
72.99170	0.3
73.02810	0.5
74.92110	0.1
79.95606	1.3
80.96392	0.2
81.03329	0.6
83.04887	0.6
85.02820	10.8
86.03130	0.3
87.00750	4.3
91.01752	0.1
93.03333	12.9
94.03649	0.4
95.01260	0.2
95.95089	0.3
96.95889	11.0
97.02872	0.1
98.95502	0.2
99.00750	0.4
99.04376	0.5
101.02299	0.4
106.04135	0.6
107.04933	1.5
108.02053	0.5
109.02836	1.4
111.04412	2.6
112.04772	0.1
113.02338	0.2
119.04908	0.2
121.02782	0.3
122.97407	0.2
123.04386	0.3
125.02351	0.2
127.03905	2.7
129.01819	0.5
133.02853	1.7
134.03403	0.1
135.04396	1.8
137.02412	0.2
143.03333	0.2
151.03853	0.2
153.01793	0.2
155.03363	0.7
161.02330	2.3
162.03027	0.1
163.03964	0.2
171.02837	0.8
173.04463	11.3
174.04796	0.4
177.01872	0.3
179.03416	6.8
180.03818	0.3
186.04230	0.2
191.05536	100.0
192.05876	3.9
193.06100	0.1
195.06569	0.3
207.05026	3.7
237.04387	0.2
263.05963	0.3
277.07425	0.8
293.06970	0.5
305.06970	0.4
335.07675	0.2
353.08795	5.3
353.12778	0.5
354.09274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74345	0.5
59.01249	100.0
61.01405	0.5
68.26724	0.6
71.01248	0.6
71.13390	1.3
96.95883	3.9
124.09959	0.6
133.02847	2.1
173.04492	1.3
182.26282	0.8
191.05600	0.9
221.65289	0.6
224.92188	0.6
245.12108	1.4
263.13336	0.8
351.11038	1.0
351.14871	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	352.1042
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
55.00534	2.7
57.71910	2.7
58.35044	2.5
59.01250	64.1
68.48145	3.1
70.44054	6.1
70.44400	6.9
71.01257	26.5
73.02805	30.9
73.03135	2.9
79.57981	2.5
83.01259	8.3
85.02821	15.2
87.00739	15.4
89.02344	3.7
92.04913	4.1
93.03326	20.2
96.95893	9.9
99.00749	4.5
101.02302	20.6
106.04174	3.1
108.02108	3.6
109.02828	4.6
111.04352	3.9
113.02335	6.2
118.02898	3.9
119.04936	6.3
120.04424	3.8
126.00333	2.6
127.03880	6.0
131.03433	3.1
132.04440	8.2
133.02835	4.4
134.03729	3.5
135.04434	13.2
144.04413	14.0
146.02380	61.7
146.03476	4.8
147.03166	47.5
148.03906	9.9
148.05096	3.9
155.03418	3.2
160.03944	66.2
161.04446	5.4
163.03908	3.8
167.31770	3.0
172.03909	13.1
173.04469	26.0
174.05508	11.8
179.02037	4.5
179.03542	13.6
186.05505	6.2
189.04224	3.1
191.05536	100.0
202.05051	8.7
207.05040	34.9
214.05057	11.8
214.50803	2.8
248.09271	11.6
249.09941	8.1
264.12424	28.1
265.07193	4.0
265.12778	4.3
281.35764	2.8
292.08109	5.5
295.06110	3.4
310.09308	4.2
339.05081	6.3
342.41498	2.8
352.10397	61.3
352.17245	3.4
353.08731	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.9
59.01253	3.8
60.99166	1.9
61.66822	0.8
67.01772	4.4
69.03325	1.3
70.32260	3.3
71.01257	2.8
73.26585	0.9
81.03354	1.0
85.02812	10.3
87.00747	7.3
93.03339	29.1
96.95903	2.8
98.20478	1.0
99.00744	1.1
99.04393	1.1
101.02362	1.1
107.04928	4.3
109.02827	4.3
111.04423	5.9
121.02855	1.0
127.03905	3.5
133.02841	1.7
134.03699	1.2
135.04410	16.1
137.02383	1.0
141.76141	0.8
155.03407	1.0
161.02347	1.8
173.04465	44.4
174.04808	1.9
179.03419	24.9
180.03714	1.0
191.05537	100.0
192.05927	4.8
200.55489	0.8
207.05051	7.7
353.08826	13.6
353.13184	1.9
354.09290	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	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01586	1.2
63.66164	0.3
64.69663	0.3
71.01262	0.5
71.57327	0.5
74.98988	0.6
79.95608	0.7
85.02827	0.4
87.00769	0.7
93.03334	0.7
96.95883	5.1
98.50819	0.3
133.02846	2.1
135.04430	0.5
136.99048	0.4
159.55774	0.3
173.04501	0.8
177.01888	0.8
191.05586	0.7
193.12309	0.5
211.13390	0.9
215.10971	0.6
227.11061	0.4
245.12151	2.4
263.13339	1.4
286.07077	0.3
351.07248	0.4
351.11130	1.1
351.14890	3.8
351.18286	0.5
352.15009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83279	1.0
59.01255	5.2
60.37640	1.1
62.62715	1.1
64.26908	1.2
65.72472	1.2
69.51984	1.7
69.52385	7.5
71.01250	10.6
74.96048	6.8
76.65822	1.2
92.42968	1.1
96.95899	5.7
127.07586	1.4
128.97141	4.6
133.02858	2.0
157.40070	1.0
164.08263	1.6
177.09175	3.1
186.95575	4.2
192.11516	10.0
192.95793	8.8
205.12248	3.0
207.13884	2.2
218.09459	2.4
220.14636	59.2
221.15416	100.0
222.15793	5.3
231.17564	1.9
236.10506	83.8
237.10881	6.6
263.35767	1.4
268.96112	1.3
275.16568	4.6
278.10535	4.2
279.11319	3.3
293.17599	21.2
294.05579	2.2
294.17889	2.4
333.12326	8.5
351.13474	60.5
351.18152	3.5
352.13889	6.3
367.48959	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	350.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94172	0.4
66.73820	0.4
70.31474	1.2
70.31895	0.7
71.01295	0.4
83.49258	0.3
105.14642	0.3
144.04454	100.0
145.04785	3.9
155.11540	0.3
306.09869	0.5
321.98547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07164	1.3
55.97549	1.2
57.03320	3.2
58.10355	1.4
59.01250	22.6
65.48852	1.1
68.70036	1.2
69.40356	12.6
71.01254	20.6
72.99184	5.2
73.02821	2.6
75.00337	2.4
75.00745	20.9
85.02821	25.9
85.26985	1.2
87.00743	7.9
89.02312	7.0
93.03362	1.8
95.01283	7.1
96.95882	4.2
97.97163	1.3
98.20588	2.9
99.00766	11.5
99.04385	4.0
101.02323	3.4
101.05957	100.0
102.06358	1.6
103.00256	4.1
105.03342	5.2
113.02328	33.4
115.00230	2.6
117.01783	2.6
119.04935	1.5
129.01828	2.1
133.02847	36.3
135.04446	2.2
139.98203	1.5
146.02382	1.8
157.01373	2.0
160.03926	1.8
173.04471	7.6
175.02350	2.5
177.01854	12.8
191.05644	3.1
196.31743	1.5
205.07108	2.6
207.05133	1.4
223.08093	1.4
234.89267	1.5
249.06160	4.6
267.07202	3.9
351.12933	85.4
352.13449	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	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12967	0.6
57.03327	2.4
58.00463	1.0
59.01248	15.7
62.96986	0.5
67.01755	0.8
68.99695	0.6
69.03318	0.8
71.01248	13.6
71.37324	1.0
72.99189	3.9
73.02814	1.6
74.33652	0.5
75.00745	15.6
79.02272	0.5
83.01258	0.8
85.02824	15.6
85.03333	0.8
87.00745	7.4
89.02319	2.0
95.01271	3.7
96.95902	1.6
99.00759	8.1
101.05959	100.0
102.06324	2.4
103.00260	1.4
106.88216	0.5
111.00768	0.8
111.35849	0.5
113.02324	14.7
115.00248	1.3
117.01822	2.2
125.96420	0.4
128.36754	0.5
129.01825	1.5
157.01427	0.9
175.02405	1.7
202.76859	0.6
205.07176	0.7
226.53857	0.6
231.05057	1.8
249.06117	12.5
249.08540	1.0
250.06396	0.7
267.07233	1.5
291.10690	0.8
333.11884	1.5
351.12933	48.6
352.13046	3.6
373.45108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18032	4.4
57.03314	6.4
58.32833	3.8
59.01251	44.1
62.16830	3.7
62.57502	3.7
71.01256	54.9
71.56139	8.8
72.99170	15.6
75.00749	44.9
83.01245	5.2
85.02824	46.1
87.00726	20.1
89.02302	12.5
90.69572	4.1
95.01267	10.1
96.95890	8.9
99.00739	29.7
99.04393	100.0
101.02321	8.0
111.00743	4.6
113.02328	68.3
154.77354	4.1
175.02483	4.9
180.02963	7.7
205.07072	4.8
231.04831	5.4
249.06097	55.5
267.07230	78.4
267.34464	4.0
279.50272	5.2
296.02115	4.6
339.45541	4.2
342.95724	4.1
349.11371	97.5
349.15005	10.1
350.11636	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	349.114
Annotation	Prodiamine
Peak:m/z	Relative Intensity
51.56750	1.0
57.03304	3.2
59.00990	1.4
59.01251	19.2
60.02998	1.0
67.01765	1.3
69.03313	1.6
69.05184	1.1
71.01255	21.1
71.56238	2.0
72.99173	5.5
73.02810	2.3
75.00745	21.5
83.01258	2.2
85.02828	19.5
87.00742	7.8
88.75541	1.5
89.02312	5.6
93.03327	1.2
95.01263	5.0
96.95901	2.0
99.00768	10.1
99.04396	100.0
100.04701	1.4
101.02332	4.0
103.00238	3.2
113.01611	2.1
113.02336	24.9
114.02658	1.2
115.00296	1.7
117.01797	2.9
119.03351	1.2
128.03374	1.4
129.01820	2.6
133.06764	1.7
154.92235	1.3
175.02425	3.1
180.03040	1.4
231.05054	3.0
249.06126	25.0
267.07254	7.1
268.22687	1.2
315.42456	1.2
331.10315	2.9
349.11359	63.8
350.11703	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	347.1167
Annotation	Compound VII
Peak:m/z	Relative Intensity
55.44170	0.2
59.01255	0.7
61.22708	0.3
69.42549	2.2
71.10436	0.3
72.31738	0.3
77.91425	0.3
79.95618	1.3
82.27391	0.3
83.80605	0.3
85.55131	0.3
96.95885	100.0
97.76409	0.2
97.95824	0.4
112.57430	0.3
287.09561	5.3
288.09943	0.6
347.11673	34.2
347.24277	0.8
348.12073	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
53.40745	0.9
54.95596	0.9
55.01734	2.1
55.13401	1.0
57.03312	1.8
57.37585	0.9
58.00466	2.0
59.01249	49.3
71.01252	34.8
71.11976	2.0
72.97407	2.7
72.99167	2.5
73.02827	4.0
74.00743	1.0
79.95613	1.2
83.01261	4.0
85.02819	10.9
87.00754	2.4
87.04368	0.9
89.02322	18.5
92.76079	1.0
93.03354	1.3
95.01297	2.4
96.95882	12.4
99.00743	1.4
101.02323	22.5
111.00780	1.3
113.02315	11.5
119.03387	10.5
126.90455	1.1
128.49286	1.1
135.04366	2.5
142.13026	1.0
149.04475	1.0
149.33334	1.0
155.10678	1.4
161.04451	1.4
167.10648	8.7
173.04402	1.5
179.03412	1.5
180.06584	1.8
184.03694	2.0
185.11786	5.3
191.05528	2.1
209.11760	1.1
229.14417	3.4
238.70439	1.0
347.12067	4.5
347.17078	100.0
348.17575	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	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	17.5
61.43875	2.5
69.03323	2.9
71.01258	4.2
71.04890	3.4
71.56049	3.6
73.02818	2.4
81.03324	23.1
85.02821	7.7
87.00753	2.0
95.04913	7.7
97.02840	3.3
97.06474	8.8
99.04400	53.6
108.02112	3.0
113.05974	6.3
123.04411	100.0
123.34500	1.8
124.04771	4.4
125.52552	2.2
137.05997	2.3
141.05472	83.4
141.06586	4.0
142.05762	2.5
152.76237	2.0
155.74539	1.8
163.03915	2.4
165.05467	6.7
170.79089	1.9
183.05444	1.9
191.05573	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	345.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28416	0.5
56.47813	0.5
59.01250	18.0
67.62177	0.6
69.48322	3.2
69.48731	1.6
71.01257	1.9
84.04439	1.2
85.02800	1.8
93.03349	1.7
94.02892	0.8
95.03645	4.1
96.04420	1.0
96.08050	1.2
96.95893	6.4
101.02310	1.5
104.04928	2.8
105.03321	0.9
106.06499	8.1
107.04868	0.8
112.03901	1.3
113.02294	1.3
118.97961	1.2
120.04401	0.7
122.06034	3.6
123.03134	0.8
123.04396	1.6
124.07562	8.2
132.04445	55.2
133.02869	1.7
133.05235	29.6
134.06044	9.6
135.04407	5.7
137.02350	0.7
138.05475	1.6
139.11172	4.8
142.46622	0.6
146.02365	0.7
148.03937	2.7
150.05502	2.6
159.34738	0.6
160.01489	0.6
160.03783	0.6
165.04216	40.4
166.04561	1.7
171.06757	1.0
173.04561	2.8
176.03600	2.2
176.07068	1.3
177.04218	5.5
178.05016	2.8
179.03409	1.8
181.12198	2.9
183.10208	5.9
184.07562	1.6
185.08443	1.5
186.09172	8.0
186.81171	0.6
187.08727	0.7
191.05536	3.0
198.09229	1.2
199.13338	1.9
209.03242	9.9
212.10768	0.9
213.06628	5.8
214.12303	10.1
215.11823	11.4
225.11287	2.5
226.07471	2.0
227.08228	1.6
229.09775	6.5
240.10220	2.5
241.09761	4.4
243.12331	17.1
244.12770	0.9
255.11273	2.0
257.12915	45.5
258.13287	4.0
265.09644	0.6
283.10864	11.2
284.11252	0.8
285.13458	12.5
286.62521	0.7
301.11908	34.5
302.12219	2.7
327.09946	3.0
327.13690	0.6
345.10886	100.0
346.11203	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	345.109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98289	0.6
58.70323	0.5
59.01251	3.0
71.01244	0.9
71.04887	2.2
71.34846	1.4
72.94860	0.7
73.02788	0.6
74.02335	0.6
79.45681	0.6
84.04454	0.7
85.55601	0.7
91.83242	0.6
93.03344	1.1
95.03640	2.4
96.04444	0.8
96.95887	7.7
104.04925	1.9
106.06506	4.6
112.04020	0.7
113.02378	0.6
118.97968	1.2
121.02751	0.7
122.05988	2.5
123.03181	0.9
123.04276	0.6
124.07579	6.0
132.04443	34.3
133.05241	17.8
134.06042	5.3
135.11694	1.8
148.03922	1.4
150.05450	1.9
151.44429	0.6
165.04225	24.8
166.04593	1.2
173.04469	0.9
176.03424	0.9
176.07088	0.9
177.04224	3.2
178.05009	1.1
179.10704	0.9
183.10193	2.5
184.07668	1.3
186.09152	5.0
191.05516	2.6
198.09081	1.1
209.03192	6.4
210.03676	0.7
213.06606	2.6
214.12306	7.5
215.11853	6.4
222.98889	0.8
225.06534	0.8
226.07314	0.8
227.08054	0.9
227.12813	6.3
229.09744	3.6
240.10373	1.1
241.09781	2.7
255.11363	1.1
257.12924	22.7
258.13226	1.7
283.10919	8.0
284.11215	0.9
301.11911	19.6
302.12216	1.7
327.09808	2.0
345.10883	100.0
346.11240	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	344.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45398	0.2
58.66328	0.2
58.70838	0.2
59.01241	0.4
61.93836	0.2
66.80606	0.2
70.90754	0.5
79.31996	0.2
79.95611	1.8
81.56203	0.2
91.96446	0.2
96.00812	0.2
96.95889	100.0
97.95802	0.2
98.02350	0.3
98.95447	0.2
99.26414	0.2
125.77951	0.2
130.08626	1.0
139.03923	0.3
140.07082	0.6
143.81462	0.2
149.76808	0.2
152.07080	0.5
173.04573	0.3
191.05582	0.3
206.27335	0.2
208.13768	0.2
220.64998	0.2
231.97743	0.3
309.14569	1.4
326.17221	0.6
335.11435	0.2
344.11716	27.1
345.12067	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	344.1712
Annotation	Europine N-oxide
Peak:m/z	Relative Intensity
57.59900	0.5
57.70812	0.5
59.01250	14.4
60.69764	0.5
65.00195	0.5
69.91385	0.5
70.91596	1.6
71.01246	1.5
72.04413	3.8
74.02344	100.0
75.02684	0.6
79.95608	0.7
89.02320	0.9
96.95889	13.6
97.06406	0.5
98.95475	1.2
101.02328	0.8
110.93966	0.4
112.07581	1.0
116.03423	41.9
117.03762	1.1
118.98029	0.6
121.41862	0.5
132.04381	0.5
161.04720	1.2
162.05128	1.6
165.09117	0.5
193.03746	0.7
194.34410	0.5
204.15549	0.6
209.11823	0.6
218.67603	0.5
225.14925	2.5
227.12880	6.6
256.10608	0.7
264.16092	1.0
266.14038	2.1
269.13947	0.8
282.17032	1.7
283.10922	0.8
284.11218	4.2
284.15015	5.9
301.11517	0.6
326.16031	7.0
327.16452	0.5
344.11929	5.5
344.17111	64.0
345.10922	1.2
345.17712	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.85241	0.4
57.03298	0.6
59.01251	3.9
61.15754	0.4
65.51881	0.4
69.03315	1.5
70.32927	1.5
71.01250	0.7
71.04892	0.4
80.85820	0.4
83.04895	1.3
85.02796	0.5
96.27151	0.3
97.06480	0.8
99.08031	8.5
109.62677	0.4
111.08076	0.4
121.02839	1.0
121.10098	1.7
125.09625	1.9
127.11140	0.8
137.09598	1.8
139.11179	1.1
149.13239	0.5
151.11238	0.9
159.06308	0.4
163.34460	0.4
165.09125	0.7
165.12708	0.8
168.39229	0.3
171.10185	20.0
172.10564	0.4
175.11253	0.9
193.12280	13.1
194.12589	0.9
197.15390	0.9
201.02519	1.1
203.91229	0.4
204.71538	0.4
211.13351	2.8
225.14915	21.5
226.15251	1.4
243.15991	6.9
246.05273	0.7
289.18152	1.3
293.21249	1.9
311.22351	0.7
313.03510	0.7
343.24875	100.0
344.25247	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	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93795	0.4
52.92690	0.4
57.03331	0.6
59.01249	3.4
60.05949	0.4
64.03053	0.6
70.79481	0.9
89.02306	0.6
113.09596	0.7
114.17132	0.4
121.02882	2.1
121.10119	10.8
125.09595	1.2
127.11173	2.9
137.09633	2.5
139.11174	1.8
153.09117	1.0
154.83432	0.4
155.79980	0.5
165.09114	1.3
171.10178	68.8
172.10500	2.4
184.88547	0.6
195.13885	0.4
201.02419	0.5
246.05318	1.4
293.21124	1.4
343.24875	100.0
344.25259	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03328	0.5
57.14605	0.4
58.84806	0.4
59.01246	3.7
59.74884	0.4
61.66043	0.3
63.85906	0.3
69.03314	1.3
70.10558	1.4
71.60435	0.4
72.75565	0.5
73.12982	0.4
83.04896	1.2
83.99614	0.4
92.36884	0.4
97.06447	0.8
99.08027	6.2
102.28023	0.4
109.06413	0.4
113.02264	0.4
113.09648	0.5
118.05365	0.4
121.10114	3.5
125.09599	2.2
127.11143	0.7
137.09610	1.2
139.11176	1.0
149.13223	0.5
149.28122	0.4
165.12723	0.4
171.10182	27.1
172.10504	1.1
175.11223	0.7
193.12271	10.7
194.12610	0.7
201.02423	0.5
201.11284	0.6
209.11824	0.4
211.13309	2.4
225.14905	13.5
226.15208	1.0
243.15970	4.8
293.21127	2.4
307.22910	0.5
311.22400	0.8
325.20294	0.5
325.23792	0.9
343.24869	100.0
344.25186	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	343.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11692	9.5
57.03323	10.7
59.01264	74.6
69.28252	100.0
71.01252	13.1
72.25002	11.6
77.68689	9.8
89.02345	17.2
101.02362	13.0
109.46059	8.9
121.02840	64.6
122.03130	14.8
122.47747	9.7
142.22037	9.1
151.37665	10.2
184.38461	8.9
200.89516	11.0
201.02475	25.3
229.42581	10.7
245.19147	17.6
289.18005	76.2
290.18484	15.5
307.19177	48.1
324.57251	12.0
325.21725	19.2
343.24988	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	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51347	0.4
56.63787	0.4
57.03311	1.1
59.01250	9.1
69.03321	1.7
69.39677	3.4
69.40102	1.0
71.01252	0.9
71.94107	0.4
72.72277	0.4
83.04903	1.4
89.02283	0.6
96.95878	6.5
97.06445	0.8
99.08034	11.7
99.92440	0.5
106.61593	0.5
111.08056	0.4
115.07539	0.9
121.02848	0.9
121.10115	0.7
123.08071	0.6
125.09605	2.4
137.09630	1.1
141.09143	1.0
149.13257	0.6
151.11186	1.5
155.10510	0.6
165.12726	1.5
171.10197	6.5
175.11205	1.1
185.11716	0.8
193.12263	17.7
194.12611	0.8
197.15430	0.6
201.02391	1.0
201.11226	0.8
211.13304	3.4
225.14906	23.1
226.15265	1.5
227.12814	0.6
243.15990	8.3
244.16281	0.6
246.05423	1.0
248.01314	0.5
283.10693	0.5
293.21387	2.2
307.19052	0.5
311.22232	1.6
325.20276	0.6
325.23871	2.3
343.24866	100.0
344.25174	10.0
347.28928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1031
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
52.96134	0.3
56.00139	0.3
59.01245	14.3
70.72238	0.3
70.90359	0.8
70.90754	0.7
76.75134	0.3
81.03339	0.5
85.02845	0.4
93.03333	0.8
93.06952	0.4
95.04919	0.8
96.95872	0.9
107.04912	0.5
107.44304	0.3
109.02818	6.2
109.06468	3.3
113.91664	0.3
119.04918	4.6
120.05272	0.3
121.02833	7.9
122.03609	1.3
133.24280	0.4
135.04420	5.2
137.05974	26.9
138.06360	0.9
159.04430	1.1
166.02626	0.6
175.07561	2.0
179.03398	0.5
181.04977	100.0
182.05327	4.2
219.06676	0.4
343.01260	1.1
343.10309	12.1
344.10754	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	343.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11692	9.5
57.03323	10.7
59.01264	74.6
69.28252	100.0
71.01252	13.1
72.25002	11.6
77.68689	9.8
89.02345	17.2
101.02362	13.0
109.46059	8.9
121.02840	64.6
122.03130	14.8
122.47747	9.7
142.22037	9.1
151.37665	10.2
184.38461	8.9
200.89516	11.0
201.02475	25.3
229.42581	10.7
245.19147	17.6
289.18005	76.2
290.18484	15.5
307.19177	48.1
324.57251	12.0
325.21725	19.2
343.24988	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	342.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.3
64.07204	0.2
64.81442	0.2
69.63177	1.0
69.63592	0.5
71.01255	0.6
73.02780	0.2
79.95601	1.4
80.07922	0.2
80.96431	0.2
93.03293	0.3
96.95888	100.0
97.95825	0.2
98.20511	0.5
110.39638	0.2
119.04864	0.2
120.07570	0.2
138.05533	0.4
179.03362	0.2
181.08473	0.2
300.79333	0.2
342.10129	25.6
343.10449	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	343.0822
Annotation	Boeravinone C
Peak:m/z	Relative Intensity
59.01250	26.4
63.52121	2.0
69.43734	3.4
69.44139	12.9
71.01239	9.3
79.49156	2.0
85.02766	2.2
89.02320	4.2
91.05423	3.2
93.03328	47.5
94.03634	2.1
96.95885	17.6
97.56748	1.8
108.02044	19.6
109.02832	34.6
115.00300	9.5
115.11367	1.8
116.07175	1.8
117.03354	2.9
118.97952	4.4
119.04903	30.5
121.02847	34.9
122.03629	8.1
123.04434	2.8
130.04169	2.2
130.08655	5.5
131.04895	4.8
132.05675	5.3
133.02859	2.1
133.06502	5.4
134.03630	3.7
134.04601	4.3
135.04407	70.3
136.04677	2.2
137.02298	3.4
138.05487	10.3
139.05856	5.7
140.21869	1.7
143.04936	29.0
145.06493	4.8
147.04385	5.5
149.05965	5.6
161.02309	3.5
161.04535	2.6
161.05981	5.6
163.03920	15.4
167.49202	2.2
179.03430	22.4
185.05984	2.7
189.05524	3.9
221.04420	4.0
225.05743	2.3
226.06265	19.1
227.07085	53.7
227.23074	2.0
228.07483	3.5
235.07767	3.6
236.08443	3.4
237.09154	64.0
238.09465	4.2
239.07164	3.2
255.10229	100.0
255.24925	2.1
256.10599	8.5
281.08252	5.5
281.13165	2.2
299.09152	10.7
325.07257	4.2
343.08148	45.5
343.12097	4.8
344.08392	4.1
344.11990	3.2
344.21854	4.4
354.45151	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.4
59.01251	3.9
68.99680	0.3
69.03318	3.0
70.81198	1.0
71.01243	1.7
81.03306	0.6
83.04895	2.0
84.02033	4.5
85.02826	0.9
87.18607	0.4
89.02303	1.6
92.36729	0.3
95.04893	0.7
97.02828	1.0
97.06464	12.4
98.06809	0.4
99.04378	1.7
101.02316	0.5
111.08031	0.7
119.03311	0.8
119.08497	0.4
122.65919	0.3
125.09614	2.0
135.08014	0.4
137.09619	1.3
149.13280	0.6
151.11186	0.9
153.09061	0.5
163.11197	0.5
165.12766	1.2
171.10176	11.8
175.11189	1.2
177.12758	0.6
179.05495	0.6
183.13806	1.5
185.11613	0.6
190.26712	0.4
191.10638	0.5
193.12262	17.5
194.12589	1.4
197.15288	0.6
203.72116	0.3
210.12317	0.3
211.13332	3.6
221.11826	1.1
225.14906	25.2
226.15254	1.4
243.15977	11.2
244.16386	0.6
253.14395	1.3
291.19562	1.4
305.21118	0.9
323.22321	0.9
341.23291	100.0
342.23642	9.0
342.26727	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66940	0.3
56.86071	0.4
57.03318	0.4
59.01255	4.7
60.53013	0.4
62.11857	0.4
68.55217	0.4
69.03326	2.5
70.63617	0.8
70.63950	0.6
71.01261	2.5
83.04886	1.6
84.02031	1.8
85.02818	0.6
89.02333	2.2
97.06467	12.2
97.36392	0.4
98.20390	0.4
99.04395	0.9
101.02325	0.6
105.60809	0.4
113.02293	0.8
119.03381	1.0
125.09618	1.5
137.09579	1.0
141.09134	1.2
147.81485	0.4
149.13283	0.5
151.11182	0.7
165.12805	0.7
171.10191	6.2
174.06895	0.4
175.11211	1.1
177.12840	0.8
179.05524	1.2
183.13791	1.4
185.11708	0.8
193.12285	14.4
194.12575	0.6
197.11949	0.5
197.15428	0.8
211.13321	4.5
221.11807	0.9
225.14914	22.1
226.15192	1.4
227.21432	0.4
229.27324	0.4
243.15985	10.8
244.16338	0.9
253.14468	1.5
261.48694	0.4
272.16153	0.6
291.19650	1.3
341.23303	100.0
342.23639	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42111	1.0
58.00452	2.1
59.01249	38.5
71.01250	31.7
72.99192	2.1
73.02814	1.5
83.13096	1.1
85.02824	3.0
87.00733	2.7
89.02315	37.3
97.02823	1.5
101.02318	17.0
113.02335	12.1
118.96659	1.2
119.03390	13.5
123.04389	1.5
125.09595	2.5
131.03378	2.3
143.03386	2.8
151.11200	5.7
153.09099	2.0
154.09869	1.8
161.04443	3.9
165.12740	1.5
169.12280	2.1
171.10220	1.5
175.11217	1.6
177.12808	1.2
179.05540	14.3
180.05956	1.3
182.68073	1.3
193.12411	1.2
195.13843	1.1
203.14214	1.3
211.13171	1.0
213.11298	4.3
221.11760	1.5
230.18475	1.1
247.20610	5.8
256.75189	1.0
270.05081	1.2
273.18591	1.6
291.19659	100.0
292.19946	10.6
303.17670	1.1
309.20685	41.3
310.21112	3.4
325.20215	1.9
341.10898	16.4
341.23312	76.0
342.11307	1.2
342.23685	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	341.1968
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
50.70791	1.1
57.03321	6.1
58.00455	1.9
59.01249	43.9
67.01752	1.3
69.03307	3.1
69.32377	8.3
69.32784	3.4
71.00893	2.0
71.01254	27.9
71.04891	6.4
72.99195	2.4
73.02824	2.0
80.02543	1.2
81.03343	7.2
83.01234	1.7
83.04884	3.7
84.02027	1.9
85.02824	6.1
87.00766	1.3
87.04366	1.3
89.02316	34.2
90.02637	1.4
93.03361	1.8
95.01231	1.6
95.04893	5.7
96.95883	4.3
97.06461	3.0
98.03615	5.4
101.02322	12.5
107.04873	1.7
109.02826	2.1
109.04152	1.3
109.06467	35.7
109.07174	2.5
111.04427	1.9
112.05181	2.0
113.02307	13.7
113.05991	1.9
119.03375	11.4
121.06490	1.6
123.04390	1.4
123.08037	13.0
123.25177	1.3
125.09596	25.5
127.07545	17.2
127.11172	13.1
135.04382	2.3
135.08040	2.5
137.09647	2.5
139.11191	1.3
141.09117	3.4
143.03407	3.5
146.73683	1.2
151.03831	1.5
151.07516	4.1
151.11172	3.6
153.09087	4.1
155.10672	5.2
161.04451	2.9
165.09106	5.5
169.08594	2.0
169.12177	2.4
171.10188	13.9
179.03569	1.8
179.05515	10.9
185.11736	3.2
195.10191	5.0
196.73409	1.3
197.11765	1.6
199.09682	9.4
199.13292	2.5
201.11249	100.0
202.11581	4.2
209.11795	4.6
213.11263	64.4
214.11600	4.5
225.06738	1.4
227.12817	3.0
233.11845	1.6
247.13327	1.2
251.10466	1.9
251.12840	24.2
265.14386	3.3
270.02600	1.3
281.17374	1.2
281.32901	1.4
287.16501	25.0
305.17566	23.4
306.18100	2.1
323.15070	1.3
323.18573	31.9
324.19016	4.1
341.10907	15.9
341.19656	71.7
342.19897	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	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01739	1.1
57.03309	1.4
58.00452	4.4
59.01249	93.3
66.83778	1.0
67.39065	1.1
71.01253	74.3
71.55385	1.7
72.99172	3.4
73.02808	2.0
74.07896	1.2
83.01248	3.5
85.02822	8.5
87.00742	4.3
89.02316	100.0
90.02668	1.6
95.01254	3.9
101.02324	42.2
113.02332	28.2
119.03390	33.4
125.02357	2.3
131.03418	5.7
132.55222	1.1
143.03375	12.4
149.04486	3.4
161.04456	11.4
179.05521	40.8
180.05919	1.5
196.68799	1.2
251.42079	1.2
341.06763	2.8
341.10867	48.3
342.11288	3.6
362.29343	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
63.48189	0.4
71.34019	1.0
77.32343	0.4
84.70155	0.4
88.71755	0.4
98.20505	0.5
107.04920	0.5
163.11188	100.0
164.11519	5.7
183.01151	0.9
258.06757	0.4
339.23248	56.4
340.23563	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	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01249	5.9
67.56102	0.3
69.33459	2.2
69.33881	0.6
71.01251	2.0
85.02824	0.5
89.02322	2.4
89.48373	0.3
93.03305	1.5
96.95895	0.6
97.65955	0.3
101.02308	1.4
107.04928	0.9
113.02327	1.0
114.05521	0.7
115.51467	0.3
119.03380	0.6
119.04943	0.4
133.02794	0.5
134.03636	2.5
135.04407	85.0
136.04733	2.8
137.02380	1.5
138.05559	0.3
143.03345	0.4
148.97369	0.3
161.04459	0.6
178.02477	0.4
179.03410	100.0
180.03761	3.8
256.30688	0.3
313.17444	0.3
341.08609	11.1
342.09039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01244	1.7
65.59212	0.4
68.97550	0.4
71.01252	1.4
71.06204	0.9
89.02327	1.1
93.03325	1.0
98.19839	0.4
101.02331	0.6
107.04887	1.0
111.37733	0.3
119.03386	0.7
134.03619	2.2
135.04410	100.0
136.04753	3.7
137.02376	0.9
171.83133	0.4
178.02667	0.6
178.06120	0.4
179.03413	95.8
180.03716	3.9
197.19048	0.4
258.80576	0.4
265.87585	0.5
271.93341	0.4
341.08685	8.2
342.09189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.0
65.94138	0.5
66.57176	0.4
67.95658	0.5
68.82529	0.5
69.37508	1.2
69.37926	3.4
70.94992	0.5
71.01249	3.7
85.13866	0.5
89.02328	4.4
91.05399	1.0
93.03337	2.1
95.14376	0.5
96.95883	0.5
101.02322	2.2
107.04906	1.5
113.02304	1.7
119.03376	2.2
134.03625	2.8
135.04411	89.5
136.04723	3.5
137.02341	3.1
161.04494	0.5
165.92293	0.4
178.06281	0.6
179.03415	100.0
180.03731	3.9
232.77757	0.5
341.08221	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	341.1026
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
59.01256	10.0
65.21700	0.9
71.01247	8.5
79.95602	1.6
85.02844	2.0
89.02312	10.2
93.03333	53.3
94.03682	1.4
96.95890	6.7
98.19782	2.7
98.95473	1.3
101.02316	4.2
103.05383	1.3
109.24519	1.0
113.02330	2.7
117.03338	10.2
119.03445	3.0
119.04914	100.0
120.05248	4.2
121.02814	6.9
123.04404	4.9
126.56581	1.0
130.04140	3.7
131.04924	15.6
133.02856	9.4
134.03650	1.5
135.04430	2.4
137.02277	1.0
140.11443	0.9
143.04924	39.3
144.05234	1.4
145.02859	14.1
146.03642	2.3
147.04427	15.9
149.05978	15.9
159.04410	4.1
161.04448	1.8
162.03067	1.4
163.03912	37.8
164.04350	1.2
165.05486	1.1
171.04416	7.0
177.05489	52.0
178.05814	3.2
179.03404	1.7
179.05482	4.3
208.05374	1.3
209.05965	4.3
210.06741	1.3
211.07564	11.3
223.07542	2.5
235.07614	13.7
236.08356	6.1
237.09180	61.5
238.09505	4.2
240.86598	1.0
247.07613	1.2
251.07016	1.0
253.08672	4.0
262.47592	1.0
263.07089	2.1
264.07837	1.2
265.08676	82.5
266.09006	6.6
281.08194	2.0
297.11234	3.6
304.04935	1.0
309.07681	12.2
310.07993	2.4
341.10306	78.2
342.10577	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	339.2174
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
57.03319	3.3
59.01244	4.9
70.69596	2.4
80.02538	1.5
81.03309	2.0
94.67222	1.1
95.04906	1.7
107.04902	1.8
109.02802	1.5
109.06537	1.0
121.06445	2.3
123.04398	9.4
123.08026	14.4
125.09618	2.6
137.09598	1.2
139.11186	8.5
142.02594	3.9
149.05948	1.6
149.09698	1.4
151.11182	6.3
155.14307	4.4
157.88091	1.1
171.10161	2.1
174.10405	1.3
177.12700	1.6
183.01115	1.2
183.10243	2.7
191.14395	1.1
194.19220	1.1
199.13322	24.1
201.11276	1.5
209.11720	1.2
213.11269	4.9
221.11794	1.7
233.15437	1.8
245.19006	14.2
261.18488	1.4
263.20374	1.3
265.18039	1.3
271.16980	2.5
289.18085	100.0
290.18396	6.9
307.19138	53.0
308.19543	5.0
321.20535	2.4
324.19284	10.6
339.16708	2.0
339.21735	51.7
340.22073	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	339.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50962	1.2
57.03323	3.9
59.01254	12.5
61.36124	1.1
71.01262	1.7
81.03349	2.7
85.02840	1.5
93.03357	1.1
95.04896	2.3
97.02834	4.5
97.06474	2.2
107.66698	1.2
109.06501	2.0
121.02904	1.2
121.06454	1.5
123.04392	5.8
123.08080	1.9
125.05958	2.2
125.09602	9.2
127.07547	1.7
135.08046	1.4
137.09610	4.7
139.07527	3.3
141.12741	1.9
142.02574	1.6
149.06006	2.1
155.10774	1.5
163.11206	7.9
165.09155	1.9
171.10123	2.9
177.12782	1.9
181.12251	2.8
183.01071	8.0
185.11722	12.1
191.10722	1.7
191.14326	11.6
207.10168	5.7
225.11273	6.2
245.19061	31.4
246.19385	2.8
247.17178	2.0
271.17020	2.9
279.10968	1.3
289.18073	100.0
290.18399	8.8
307.19144	32.6
308.19510	3.9
321.20618	8.0
324.19400	5.1
336.65247	1.4
339.12604	2.0
339.16467	15.2
339.21735	70.4
340.16345	2.1
340.22110	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02711	1.0
56.40530	1.2
59.01244	4.9
71.01260	2.3
72.99175	5.4
97.06455	4.3
120.28521	1.0
121.02814	2.6
125.05963	19.5
128.57312	1.1
143.07037	65.7
144.07387	1.9
151.11188	13.4
152.28679	1.1
165.41719	1.0
169.12253	100.0
170.12593	4.7
171.10219	2.2
183.01091	3.3
213.11269	96.6
214.11618	7.0
237.14952	2.2
245.18945	2.2
289.18259	1.8
307.19263	2.4
321.20618	2.6
339.08694	1.9
339.18335	8.1
339.21588	1.4
339.25253	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	339.1997
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
57.33331	0.3
64.15536	0.2
79.95631	1.2
98.19752	0.6
119.04939	1.6
135.06200	0.2
149.09604	2.3
163.11232	0.6
170.00333	1.8
177.09117	1.1
183.01132	57.4
184.01633	2.5
197.02704	1.1
198.03336	0.3
201.99323	0.4
216.00963	0.7
225.05841	0.9
239.07446	1.2
253.09096	0.5
272.94751	0.3
339.19965	100.0
340.20300	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	339.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.1
68.93642	0.2
71.67980	0.2
79.95605	11.4
85.02842	0.5
87.00748	0.4
89.88436	0.3
93.03297	0.4
95.95107	1.0
96.95885	100.0
97.95814	0.4
98.95470	1.7
98.96115	0.2
106.06503	0.5
120.01693	0.2
132.04451	4.0
134.06001	2.6
135.04411	1.2
144.04477	0.3
175.66504	0.3
176.03943	2.8
177.01822	0.4
179.03406	0.7
219.06627	0.2
223.07570	0.2
233.04686	0.4
247.06355	1.1
264.08987	0.3
277.07495	34.8
278.07895	2.4
279.11380	4.5
281.08115	0.6
303.09045	1.7
304.09647	0.3
309.07684	1.4
321.09964	0.5
324.09821	0.7
339.06949	0.5
339.11026	12.1
340.11719	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	337.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.9
59.01253	17.2
67.01770	1.4
68.62915	1.1
71.01258	10.7
71.04890	1.3
71.36370	2.1
71.36694	1.2
72.99197	3.7
75.00749	15.2
85.02826	18.7
86.99058	1.2
87.00736	6.3
87.04388	100.0
88.04754	2.2
89.02328	2.5
93.03359	5.4
95.01306	3.5
96.95870	10.0
99.00745	7.5
101.02362	1.5
103.00262	2.1
111.00796	1.4
111.04427	3.0
113.02328	26.4
113.03045	2.0
115.00284	2.1
117.01834	2.7
119.04916	42.5
129.01884	3.0
155.03464	1.9
157.01430	1.6
163.03915	92.7
164.04311	3.4
170.63788	1.4
173.04453	6.3
175.02477	2.9
175.04005	5.8
191.05554	48.2
228.86081	1.4
231.05061	2.2
247.54633	1.2
249.06116	17.8
250.06721	1.5
277.09439	1.9
301.44583	1.3
319.10330	2.3
337.11563	66.1
338.11978	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	337.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75207	0.3
57.03306	0.3
59.01263	1.8
59.40983	0.3
63.02164	0.3
67.01752	0.6
70.04280	1.5
71.01242	1.2
72.35022	0.3
79.95605	23.3
80.96387	2.2
85.02342	0.5
85.02824	5.8
86.25323	0.4
87.00761	1.6
93.03329	4.5
95.95082	1.8
96.95889	100.0
98.95461	0.9
99.04388	0.5
111.04408	0.7
119.04924	2.0
122.97482	2.8
127.03846	0.7
131.03653	1.2
132.04251	0.7
133.04785	1.0
143.40361	0.3
145.02840	0.5
163.03908	1.3
171.03056	0.5
173.04391	1.7
191.05537	46.1
192.05818	1.6
193.12251	1.1
221.02708	0.5
221.04834	6.4
222.05161	0.4
247.22807	0.3
275.05939	3.7
277.07477	5.6
302.26245	0.4
303.09030	1.0
305.06989	8.1
306.07272	0.6
319.08560	1.1
337.09613	17.2
337.12729	0.7
337.16464	0.7
338.09991	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	337.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.2
61.05864	0.4
64.48355	0.3
66.11192	0.4
70.40350	0.8
70.68920	0.4
71.01248	0.7
79.95596	5.5
85.02818	1.1
93.03345	2.0
95.95127	1.0
96.95889	100.0
98.95470	0.5
111.00785	0.7
119.04934	2.0
122.97460	0.8
137.02306	0.5
139.87906	0.4
163.03896	2.6
164.07054	0.6
173.04498	5.2
179.08148	0.5
191.05554	7.2
224.12361	0.4
247.06410	2.2
254.70453	0.4
259.06421	1.0
277.07498	29.3
278.07782	1.3
279.06622	1.5
287.05887	0.4
291.06580	0.5
303.09042	1.3
304.09805	0.6
305.07037	1.3
306.08984	0.7
307.06042	2.1
319.08401	1.2
322.08569	1.0
337.09494	11.7
337.12863	1.6
338.09787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01251	1.6
67.01755	1.3
69.03336	0.6
70.98164	0.7
70.98484	1.0
71.01253	1.1
81.03324	1.3
83.04900	3.2
85.02827	8.0
87.00757	1.2
93.03334	11.3
99.04414	0.7
109.02848	1.5
111.04409	5.2
117.06718	0.5
119.04916	100.0
120.05250	3.6
125.16302	0.6
125.55512	0.6
127.03905	1.9
145.02925	0.9
155.03421	2.5
163.03917	67.7
164.04243	3.5
173.04472	4.5
191.05533	27.7
192.05882	0.6
229.61650	0.6
330.30215	0.5
337.09323	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	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.14737	0.3
51.33196	0.3
52.78441	0.3
53.41258	0.3
56.11350	0.3
57.03313	0.3
57.97089	0.3
59.01240	1.1
66.89316	0.3
67.01745	0.9
68.69760	0.3
70.91038	0.6
71.01262	0.8
85.02815	6.6
87.00747	1.9
93.03332	4.8
96.95929	0.5
99.04397	0.4
109.02805	0.7
111.04387	1.5
119.04917	1.8
127.03907	1.6
145.02855	0.6
156.13156	0.3
163.03899	1.6
171.02954	0.4
173.04468	2.0
191.05534	100.0
192.05887	3.5
337.09244	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.9
57.99020	0.3
59.01239	3.4
60.99197	1.1
62.62705	0.4
67.01758	8.3
69.03326	2.3
69.71786	2.9
71.01247	4.1
73.02811	0.9
79.98341	0.4
81.03317	2.1
83.04898	1.8
83.80615	0.4
85.02816	10.7
87.00748	7.5
89.37453	0.4
93.03331	46.9
94.03664	1.2
96.95868	1.2
99.00768	0.8
99.04415	0.9
109.02834	1.5
109.12018	0.4
111.00777	0.8
111.04396	6.3
113.02293	0.6
117.03364	0.5
119.04916	25.7
120.05236	0.9
127.03893	2.8
129.01820	0.6
137.02341	3.1
145.02832	2.4
155.03377	2.4
163.03903	16.0
164.04317	0.6
171.02933	0.7
173.04465	59.4
174.04797	2.1
191.05536	100.0
192.05908	2.8
198.95401	0.4
221.67859	0.4
268.61697	0.4
287.43817	0.4
337.09308	5.1
338.09570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03322	1.2
59.01243	2.4
60.99175	0.6
62.69019	0.2
65.03823	0.3
67.01756	5.7
69.03322	1.4
70.13275	0.4
70.13680	0.8
71.01253	3.4
72.99188	0.5
74.88290	0.3
79.65311	0.3
79.95599	0.3
81.03329	1.0
83.04891	1.1
84.71239	0.3
85.02826	2.4
87.00758	0.8
93.03333	29.2
94.03664	0.6
95.01271	0.3
96.95880	3.7
98.95480	1.6
98.96078	0.3
98.96291	0.2
99.04408	0.4
109.02838	1.2
111.00756	2.0
111.04408	6.5
113.02290	0.3
119.04914	20.8
120.05228	0.5
127.03882	0.7
137.01372	0.4
137.02344	4.6
145.02866	0.5
154.05948	0.2
155.03406	4.9
163.03922	22.1
164.04315	0.9
173.04474	100.0
174.04823	3.4
191.05550	14.2
191.07332	0.5
192.05836	0.4
337.09262	3.6
337.12820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.3
59.01248	2.1
64.43354	0.5
67.01753	2.1
69.03313	0.7
69.70267	2.5
69.93614	0.5
71.01244	1.9
73.82512	0.5
79.95606	25.0
80.96403	0.9
83.04896	1.3
85.02827	5.1
87.00745	1.1
92.53714	0.6
93.03331	14.0
95.95116	2.0
96.95886	100.0
98.79560	0.6
98.95461	0.6
111.00739	0.8
111.04385	2.8
113.02245	0.5
117.03336	0.7
119.04909	8.4
120.66374	0.5
122.97464	1.3
129.01852	0.7
137.02330	2.1
145.02867	1.4
147.02899	0.9
154.37170	0.5
155.03435	1.8
163.03911	11.6
173.04465	41.9
174.04831	1.5
191.01923	3.3
191.05525	16.6
193.04979	0.8
211.07610	0.7
218.06128	1.3
233.04939	0.6
243.06902	1.3
245.04875	1.9
257.14035	0.6
260.07153	0.9
275.05972	0.9
319.08490	1.5
337.09579	15.4
338.09763	1.1
340.26105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09143	0.3
57.03307	0.3
59.01237	1.4
67.01757	1.0
68.06805	0.2
69.03313	0.6
70.92477	0.5
71.01234	1.1
73.02820	0.4
81.03329	0.6
83.04903	0.6
85.02823	11.1
87.00748	3.0
93.03334	8.3
94.03671	0.4
96.95878	0.3
99.04396	0.5
109.02827	0.8
111.00818	0.3
111.04396	1.7
113.02319	0.3
117.03331	0.5
119.04905	3.2
127.03895	2.4
135.32405	0.3
137.02298	0.3
145.02850	1.0
155.03374	0.3
163.03922	2.4
171.02943	0.8
173.04468	2.9
191.05534	100.0
192.05885	3.6
238.75963	0.2
337.09302	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	337.0776
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01757	1.5
57.03334	1.6
57.95298	0.9
59.01255	8.6
68.99680	2.2
70.58269	1.0
71.01250	12.9
71.27335	1.7
72.99185	2.4
73.02831	2.7
75.00747	5.9
78.95771	3.1
79.95627	0.9
80.23457	0.9
80.96380	1.2
83.01257	2.6
85.02826	13.1
87.00751	8.5
89.02310	4.4
96.95906	14.0
97.02827	1.6
99.00753	5.5
101.02309	4.0
103.00249	1.1
107.27956	0.9
110.98413	3.6
111.00760	3.3
111.01897	7.7
113.02333	8.8
113.99469	12.5
115.00254	13.3
119.03461	1.1
119.04914	1.2
125.02329	1.4
127.00259	7.7
128.03554	0.9
129.01852	2.2
131.03435	1.1
137.02333	1.3
137.03433	1.8
139.00287	0.9
141.01830	2.6
154.99658	1.2
157.01331	9.5
163.03815	0.9
163.45917	1.0
169.01314	2.3
174.01614	27.8
175.02419	16.2
179.05492	1.5
277.05502	12.1
315.83374	1.0
337.07727	100.0
338.07938	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	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00863	2.4
53.01359	2.3
57.25753	2.4
59.01239	5.9
59.31057	2.3
61.16816	2.5
66.79546	2.5
68.99667	3.9
70.71400	3.1
70.71742	6.1
71.01258	9.3
71.32961	2.6
75.00706	4.1
78.95779	11.5
85.02818	11.9
87.00717	3.8
99.00740	6.2
101.02332	3.1
110.98404	5.0
111.00746	4.7
111.01891	12.3
113.02308	8.0
113.99447	16.7
115.00237	8.0
119.04922	36.1
127.00253	3.2
129.01814	6.3
152.99541	3.3
157.01329	5.5
163.03920	54.9
169.01294	3.3
174.01601	29.1
175.02344	7.2
191.05511	7.2
277.05603	21.8
296.25009	2.7
330.62512	2.7
337.07758	100.0
338.08066	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	335.125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22868	0.5
58.51701	0.7
59.01249	5.4
64.57691	0.6
66.03342	0.8
66.58309	0.5
66.62994	0.5
69.65647	2.9
71.01260	3.6
73.02832	1.5
79.95606	0.7
80.04925	7.3
81.03339	0.7
83.01274	0.7
85.02827	1.7
87.00755	0.7
89.02307	0.9
92.04936	2.2
94.02861	1.2
94.06496	19.1
96.95887	20.7
97.01583	0.8
98.20522	1.0
99.00703	0.6
101.02345	1.8
107.03656	2.2
108.04432	20.5
109.05272	1.1
110.06004	3.3
111.04367	0.6
113.02306	1.1
117.93451	0.5
118.37891	0.6
120.04435	12.7
121.26072	0.6
122.02367	8.8
122.06012	4.3
124.03929	1.2
124.07574	6.6
136.03941	2.7
138.05498	8.6
148.03954	8.5
150.05510	8.5
152.07103	1.7
154.04962	1.5
165.04147	0.7
166.05013	100.0
167.05333	3.8
171.10158	1.6
180.02945	0.9
182.04518	2.7
182.25912	0.6
194.04555	4.7
210.04024	91.0
211.04427	3.3
211.13481	0.6
215.11842	3.0
241.91861	0.6
243.12302	0.9
255.12190	1.6
273.12405	1.6
291.12744	0.9
293.12405	2.2
317.11285	2.2
335.07953	2.1
335.12408	14.0
335.16974	2.8
335.20822	1.2
336.12988	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	336.1451
Annotation	3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropan-6beta-ol
Peak:m/z	Relative Intensity
56.53768	0.6
57.03324	4.4
59.01256	4.1
71.01241	1.4
72.00785	6.1
74.02344	30.2
79.95623	2.9
81.03349	0.8
83.04893	7.8
85.02824	1.8
93.03334	8.0
96.95889	40.5
98.20649	1.1
98.95475	2.2
100.00299	1.5
101.61639	0.7
107.04899	0.9
109.06464	2.8
111.00736	1.1
111.08042	32.0
112.08393	0.9
112.64872	0.7
117.73467	0.7
119.04919	18.7
128.10699	5.4
136.07573	2.3
161.86560	0.6
162.05487	3.1
163.03922	21.9
168.10231	5.2
172.09772	1.6
173.04405	1.4
173.08098	1.4
175.45862	0.7
180.06583	84.7
181.06886	3.8
186.09663	0.7
186.11273	3.1
191.05548	12.1
212.09247	8.3
230.10323	5.2
239.12912	1.2
256.12744	1.1
257.13919	2.3
274.14484	2.5
275.06116	1.7
276.06296	1.1
292.15610	2.3
293.10721	2.5
300.98633	0.8
318.13455	1.4
319.08612	1.4
336.14514	100.0
337.09567	10.7
337.14798	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	335.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54007	0.2
57.03309	0.3
59.01252	1.2
79.95605	19.4
80.96394	2.6
83.51292	0.2
85.02812	0.3
87.49500	0.2
87.64429	0.2
89.46658	0.2
95.95102	4.3
96.95887	100.0
97.95829	0.3
98.19753	0.5
98.95508	0.3
101.02361	0.3
111.00773	0.6
111.08006	0.3
114.38149	0.2
121.06522	0.3
122.97425	1.6
164.98515	0.6
173.08051	0.2
217.05519	0.3
218.06085	0.4
218.68550	0.2
245.04861	1.7
255.12328	0.3
275.05945	4.3
278.05127	0.3
303.05396	0.7
317.06912	1.7
318.07608	0.4
335.08020	11.5
335.11264	0.6
335.20761	0.6
336.08414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77544	0.4
58.81853	0.4
58.99183	0.8
58.99471	14.6
59.01249	3.8
69.49577	0.4
71.01252	0.6
71.21970	0.7
74.98960	1.9
78.95737	0.4
79.95585	0.5
87.94398	0.4
96.95888	9.0
98.20044	0.4
98.95484	0.5
102.98471	100.0
103.98850	0.7
106.06517	2.7
120.01398	0.4
120.99546	9.1
138.05536	1.0
139.11211	2.9
150.05487	1.3
158.09718	0.7
163.00580	4.7
184.44157	0.4
187.06357	1.1
202.08688	1.9
227.08167	0.8
228.10243	2.1
236.88495	0.5
245.09286	1.5
253.09843	1.4
254.09955	0.4
272.09338	0.5
287.09705	0.7
298.45786	0.4
333.10352	3.4
333.13968	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	333.0591
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
59.52827	0.7
70.89528	1.4
78.95773	89.3
79.95619	1.0
80.96368	4.1
94.97948	1.2
96.95909	4.4
96.96835	16.7
119.26367	0.7
120.98634	0.6
135.03264	0.9
136.93852	1.7
140.47266	0.8
152.99484	74.0
161.96950	0.7
171.00571	7.9
194.93018	1.7
223.00009	1.1
234.87015	0.9
241.01154	33.5
242.01495	1.5
246.92511	5.3
259.02292	2.5
264.93607	3.7
265.93716	0.7
288.93689	1.0
332.83755	0.8
333.05887	100.0
334.06369	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	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48412	0.2
59.01248	0.5
64.01780	0.5
69.34887	1.4
69.35316	1.2
73.02805	0.3
73.61848	0.2
77.54263	0.3
78.03368	1.3
79.95598	0.5
80.04936	0.7
83.04926	0.2
92.04929	1.9
94.06499	4.5
96.95882	6.0
103.73965	0.2
104.04926	2.9
105.03339	2.2
106.02855	0.3
106.06498	13.7
107.03640	0.7
107.06828	0.5
108.04404	2.0
120.04438	6.2
121.05233	1.5
122.02335	0.7
122.06004	15.0
123.03158	2.2
123.04456	0.3
123.06345	0.5
124.07558	1.2
131.03659	0.8
131.44696	0.3
132.04442	7.8
135.03130	0.6
136.03940	0.5
138.05501	22.7
139.05827	0.7
140.07034	0.5
148.03928	0.9
150.05495	2.8
159.06839	0.4
166.04987	1.1
168.06508	0.5
173.08398	0.4
174.12828	0.8
184.11279	0.3
188.07071	0.5
189.07892	1.2
197.07184	0.4
198.87782	0.3
200.05836	0.4
202.12276	0.7
203.09418	0.6
212.09535	0.3
213.06569	0.9
215.11884	1.6
217.07420	1.6
225.10342	0.3
226.07431	0.5
229.09795	0.3
231.08939	0.8
231.11302	1.2
241.09825	3.0
243.11371	1.9
259.10840	0.5
263.95309	0.3
271.10883	1.0
289.11926	100.0
290.12238	7.4
333.10733	6.9
349.64746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.4
57.73613	1.0
59.01244	4.3
60.99206	1.3
63.97727	1.0
69.37254	9.8
70.02843	3.6
71.01250	1.8
72.00758	6.3
72.04412	4.6
73.02807	2.0
74.02343	100.0
84.04424	8.2
85.72099	1.1
86.02347	1.3
87.00745	1.7
90.74741	1.1
96.95861	8.1
98.02364	7.4
100.03899	2.0
104.03413	58.8
105.03722	1.1
116.02589	2.2
116.03422	43.8
118.27178	0.9
125.04606	0.8
128.03427	0.9
131.60371	0.9
135.50644	1.1
139.11189	12.4
146.04477	25.0
147.20279	1.2
148.43909	0.9
161.02333	1.1
162.06732	1.0
163.11179	2.2
167.41873	0.9
168.02988	1.4
181.12190	4.9
183.10153	11.4
191.05473	2.4
225.11339	2.1
243.12437	7.8
250.14478	1.8
260.54794	1.1
264.60519	1.0
265.10849	1.1
268.15588	2.8
282.13440	1.9
300.14523	16.5
300.17831	1.6
312.14441	7.9
330.15561	75.9
331.08481	2.3
331.12369	2.2
331.15891	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	333.025
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
57.03321	2.0
58.99501	2.4
59.01244	7.9
65.00193	7.1
69.78771	13.4
71.01244	3.5
78.95792	2.8
83.01270	7.2
85.02834	3.0
93.03344	3.3
93.98148	2.0
95.01270	7.0
96.95893	100.0
97.06465	2.3
99.00749	2.8
100.13662	2.1
101.02354	3.1
102.98473	8.2
107.01270	9.4
109.02835	18.8
111.00780	8.8
120.99546	3.3
123.00749	9.6
124.01566	2.5
124.95217	2.2
125.02345	13.7
129.05461	2.5
131.27502	1.9
133.02829	13.5
135.00790	4.3
136.98659	2.0
137.02307	4.8
139.00304	13.4
141.01859	18.5
145.02895	2.8
147.04399	3.8
149.02264	2.3
150.99231	2.8
151.00290	18.8
152.01071	4.8
152.99493	2.9
153.01840	12.6
153.09119	3.5
157.12273	2.5
163.00250	11.2
166.99786	9.5
168.00514	7.2
169.01305	11.6
171.10225	2.2
175.00200	2.2
175.03922	3.5
177.01912	4.8
178.99768	19.1
180.00339	2.5
190.99844	7.3
192.00502	2.2
193.01321	3.2
194.99294	8.4
197.00888	4.2
199.03902	2.5
203.03342	2.3
204.97823	3.0
206.99292	14.5
209.00890	6.0
215.03447	3.4
215.09238	6.3
217.04883	2.5
219.02892	3.1
222.98761	13.9
223.99628	7.0
227.03604	2.7
229.01317	2.5
233.04465	3.8
242.26894	2.0
243.02901	5.0
245.04771	2.6
259.02234	2.2
259.06268	3.8
261.04074	2.7
271.02521	7.3
287.01953	6.9
289.03589	3.3
289.11716	2.6
305.03134	4.4
315.01639	12.9
333.02405	17.6
333.09998	41.5
333.13699	7.3
333.19174	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1142
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
59.01235	3.2
60.26903	0.9
60.86848	1.0
82.02856	10.1
83.30127	1.0
84.85308	1.0
90.66521	0.9
98.97178	1.1
106.06506	10.0
107.03621	1.4
108.04440	2.2
110.02377	1.4
122.06007	6.4
123.03094	0.9
126.83243	1.0
131.63826	1.0
132.04442	49.4
133.05099	2.5
134.06015	43.6
136.03920	3.2
146.54309	1.3
148.03941	1.3
149.04742	2.2
152.07091	6.8
160.02693	2.0
160.03954	23.9
161.04729	41.8
162.05513	99.6
163.05826	4.3
164.07047	4.0
165.27953	1.3
173.04700	1.1
176.03392	5.2
181.97742	0.9
193.03726	59.0
194.04181	2.4
212.07101	6.9
213.07854	4.4
214.08685	5.8
226.08688	2.9
227.08185	1.5
229.09966	1.2
240.10330	1.3
241.06143	8.4
242.11879	7.9
243.11345	4.8
254.07065	1.5
255.07698	1.7
257.09283	13.4
268.09753	3.5
269.09317	8.2
285.12439	84.0
286.12839	5.4
297.12479	3.0
311.10370	12.2
312.10730	1.5
329.11401	100.0
330.11737	7.7
336.05026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
51.08273	0.5
57.03320	1.3
59.01251	1.3
64.97581	0.5
70.98245	1.5
71.04882	0.7
76.36797	0.6
78.27724	0.5
79.39231	0.5
97.06496	0.7
99.08025	5.2
125.09611	1.8
127.11172	5.3
137.09657	1.1
139.11197	9.9
144.22131	0.5
155.14264	0.9
157.12337	0.8
167.14442	0.9
171.10190	23.9
172.10573	1.3
183.13895	2.9
193.12202	1.3
201.11205	0.9
209.11736	1.6
209.33966	0.6
211.13347	20.0
212.13768	1.2
229.14418	10.9
258.98227	0.5
280.08951	0.6
293.21353	1.0
294.17294	0.7
311.22208	1.5
329.23325	100.0
330.23608	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	329.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64233	2.6
59.01254	12.6
69.03327	2.7
70.58608	7.5
71.01240	11.4
73.02821	3.9
79.05407	3.4
81.03321	3.2
87.00764	2.8
94.27467	3.0
95.01264	3.5
97.02843	9.3
97.90176	2.3
101.02321	6.0
108.02041	27.0
109.02888	2.5
113.02331	6.8
121.02845	3.5
122.03616	67.2
123.04410	100.0
124.04800	4.0
125.02329	44.4
135.54950	2.9
145.31310	2.7
147.04387	2.8
149.02370	5.6
152.01059	18.0
161.04471	5.0
165.05446	3.9
167.03413	59.8
187.65910	2.6
204.43390	2.9
244.16388	2.5
253.26013	3.1
329.08716	36.3
330.08859	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60147	2.7
59.01259	13.0
65.16846	2.7
69.03323	6.0
71.34467	2.7
71.56956	3.7
97.02822	21.4
116.34022	3.1
125.01431	6.4
125.02329	100.0
126.02660	5.1
167.03401	5.4
304.94754	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03318	3.1
64.56277	0.5
65.26711	0.5
69.03339	3.1
69.31915	5.5
71.01247	0.7
73.76438	0.5
83.04913	1.2
84.02060	0.9
84.54228	0.6
85.02824	9.5
95.04892	1.0
97.02847	1.0
97.06458	4.5
100.18875	0.5
125.09586	1.0
125.16932	0.5
127.11186	2.2
137.09628	3.0
155.10645	0.8
155.14275	1.2
165.12770	1.0
165.53802	0.5
167.14285	0.9
171.10172	25.1
172.10498	1.0
177.12784	1.2
183.13818	5.2
185.11765	1.7
193.12306	1.4
197.11690	0.6
201.11255	0.9
209.11867	1.4
211.13336	20.0
212.13704	1.3
221.11803	3.2
229.10956	0.5
229.14415	13.9
237.91513	0.6
239.12907	1.7
264.58478	0.5
291.19684	3.3
309.20825	1.1
327.21750	100.0
328.22122	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	327.2176
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.10007	0.7
57.03326	5.9
58.00462	1.1
59.01251	5.2
68.02412	1.9
71.01250	2.0
71.57196	0.7
73.02814	1.3
74.04610	0.8
84.02061	1.1
85.02834	2.4
87.04365	1.1
97.06457	2.5
99.08022	1.7
112.71939	0.8
113.09609	15.2
119.04970	1.0
125.09604	8.6
127.11173	8.1
129.09117	1.7
137.09627	3.8
139.11227	2.3
141.09138	1.4
151.11165	2.6
153.09105	1.1
155.09576	1.0
155.10718	4.0
165.09099	3.2
168.91338	1.1
169.29050	0.9
171.10165	14.6
175.11040	0.8
177.09125	0.8
183.10249	2.2
185.11763	3.3
195.10216	2.1
197.11754	4.9
199.09677	2.6
201.11249	57.8
202.11581	2.8
209.11768	1.1
211.13303	2.6
213.11263	35.1
214.11652	1.9
227.12849	1.3
229.14359	2.0
247.20929	0.9
265.21478	1.0
291.19516	6.1
309.20682	11.6
327.21759	100.0
328.22168	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	329.0876
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.64233	2.6
59.01254	12.6
69.03327	2.7
70.58608	7.5
71.01240	11.4
73.02821	3.9
79.05407	3.4
81.03321	3.2
87.00764	2.8
94.27467	3.0
95.01264	3.5
97.02843	9.3
97.90176	2.3
101.02321	6.0
108.02041	27.0
109.02888	2.5
113.02331	6.8
121.02845	3.5
122.03616	67.2
123.04410	100.0
124.04800	4.0
125.02329	44.4
135.54950	2.9
145.31310	2.7
147.04387	2.8
149.02370	5.6
152.01059	18.0
161.04471	5.0
165.05446	3.9
167.03413	59.8
187.65910	2.6
204.43390	2.9
244.16388	2.5
253.26013	3.1
329.08716	36.3
330.08859	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03306	1.3
58.00443	0.7
59.01212	0.7
69.03333	0.9
69.87668	3.7
71.01237	0.7
73.02811	4.2
83.04853	0.7
85.02837	0.8
92.00008	0.7
97.06468	2.3
98.03616	1.0
98.20521	1.3
99.08022	2.1
112.05156	1.5
113.09602	0.9
115.07537	2.4
125.09566	1.6
127.07500	3.5
127.11131	1.9
129.09100	25.4
130.09470	1.1
139.61751	0.6
141.09105	9.6
141.12776	1.0
155.10680	20.1
165.12715	0.7
171.10167	17.5
185.11751	39.9
186.12073	2.1
197.11757	35.3
198.12096	1.7
201.11304	3.5
209.11763	6.7
211.13319	1.6
221.11720	0.7
227.12851	0.8
239.12747	1.2
247.20667	1.5
267.62924	0.8
281.21353	0.6
291.16745	0.9
291.19714	10.9
292.19943	1.0
299.22296	0.9
309.20694	25.4
310.20999	2.8
327.21741	100.0
328.22064	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	327.2175
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03321	9.2
58.00462	0.8
59.01246	1.2
64.88372	0.6
71.44434	1.0
71.44765	0.9
73.02821	1.7
83.04891	1.7
85.02810	0.9
89.93160	0.9
97.06464	1.9
98.03576	0.9
98.40865	0.8
113.09604	18.6
114.10006	0.8
123.08080	1.2
125.09608	8.0
127.11174	8.7
137.09633	2.9
139.11168	1.0
141.09108	1.5
151.11191	3.9
153.09094	1.7
155.10683	8.1
165.09071	4.0
168.49559	0.7
171.08769	0.9
171.10187	10.2
183.10158	1.1
195.10211	2.9
197.11684	0.9
199.09697	2.5
201.11255	76.8
202.11591	2.8
213.11264	40.6
214.11673	1.0
227.12794	0.9
230.88528	0.7
247.20621	1.4
250.13678	0.7
271.29312	0.7
291.19635	7.9
309.17252	1.1
309.20682	16.7
310.20993	1.8
327.21741	100.0
328.22098	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84045	0.4
55.01756	0.6
57.03082	0.5
57.03326	3.8
59.01253	0.7
69.03321	2.3
71.01237	1.2
71.35085	1.2
83.04900	1.2
84.02053	0.6
85.02819	12.1
86.09824	0.6
95.04888	0.6
97.02847	1.5
97.06474	4.5
98.20116	0.5
119.08510	0.8
125.09615	2.0
127.11167	2.9
127.31861	0.5
137.09595	2.8
144.93355	0.5
155.10687	1.2
164.97408	0.5
165.12737	0.9
167.14240	0.9
171.10176	24.0
172.10471	0.9
177.12802	1.0
183.13841	5.1
185.11723	1.3
191.43779	0.5
193.12270	1.2
197.11674	0.7
201.11301	0.6
209.11774	2.0
211.13348	18.3
212.13683	1.3
221.11690	3.0
229.14418	9.9
230.14856	0.6
239.12866	2.2
251.16376	0.5
291.19666	3.0
309.20734	2.0
327.21750	100.0
328.22079	8.0
336.92206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	6.8
65.69717	1.1
68.02406	1.8
69.09283	1.4
71.01221	1.2
71.56888	1.8
71.57257	1.6
79.95587	1.6
125.09612	3.8
139.11188	5.0
146.13707	1.3
153.09087	2.0
163.06055	1.3
163.11171	2.6
167.10638	2.2
167.14351	1.5
171.54842	1.2
177.12767	6.8
181.12323	1.8
182.99606	2.2
183.01100	12.7
184.01753	1.7
195.13838	34.3
196.14209	2.2
197.02690	24.8
197.11693	1.9
198.03372	1.3
209.12099	1.4
211.13370	3.3
230.02467	3.3
249.22128	2.8
265.21912	1.4
275.20123	2.3
293.21204	26.7
294.21600	2.1
307.19220	2.4
307.22641	3.0
309.20740	2.9
310.21384	4.7
325.18390	72.7
325.23807	100.0
326.18747	9.8
326.24048	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	326.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26730	1.2
59.01263	6.9
64.60140	1.3
68.02405	3.7
71.04638	2.6
71.04979	1.9
76.46651	1.2
83.78930	1.2
134.04616	100.0
135.04988	1.6
146.02342	1.7
221.75647	1.3
266.08850	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	327.0874
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
61.26625	0.8
70.03407	3.9
93.03341	20.4
93.47153	0.8
95.99381	0.8
96.99213	4.8
107.04951	1.1
108.37392	0.8
117.03342	1.9
119.04919	44.3
120.05264	1.2
123.04399	1.6
130.04147	1.3
131.04898	3.5
133.02843	3.4
143.04927	15.8
145.02834	1.9
145.06453	1.2
159.04431	1.1
163.03918	43.4
164.04263	1.5
204.18307	0.7
209.06171	0.9
211.07594	5.1
221.09595	1.3
222.06747	1.2
223.07690	1.9
235.07584	3.1
237.09195	7.9
238.09612	1.0
239.10767	2.6
265.08691	16.0
266.09036	1.2
283.09763	17.7
284.10037	1.5
309.07782	4.3
327.08737	100.0
328.09003	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	325.2017
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.79512	1.4
57.03333	3.7
59.01257	9.2
59.26383	1.4
68.02409	2.2
70.14153	3.6
70.14529	3.3
71.04895	1.6
73.02854	2.2
80.02548	4.5
83.04900	2.9
84.02023	3.3
87.11230	1.4
95.04934	1.7
95.80400	1.4
96.95892	2.4
97.06479	5.7
110.68817	1.4
115.07556	2.7
119.04936	2.5
121.02811	1.8
123.08060	2.7
125.09618	40.1
125.10532	2.5
127.11216	1.7
135.08131	1.7
137.09610	20.6
148.53300	1.4
155.10664	10.1
155.23999	1.6
163.11237	3.2
165.12761	3.3
167.14391	2.9
171.10255	2.1
178.09964	2.2
183.01172	4.1
187.09717	3.7
191.10727	2.5
209.11763	42.5
227.12779	2.4
249.18559	3.7
279.19690	2.5
281.21198	4.5
289.18051	5.0
291.16629	1.9
307.19159	100.0
308.19550	6.1
325.20676	11.7
325.23843	2.4
338.12985	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71566	1.7
53.65617	1.4
57.03283	2.1
59.01238	2.7
59.70878	1.5
61.78792	1.8
69.29019	17.0
71.01244	7.1
71.04881	4.7
73.02775	2.2
83.04883	5.7
83.18031	1.5
84.02033	4.3
92.49289	1.6
95.04904	2.6
97.06446	4.8
99.04387	2.7
99.08026	5.5
109.06465	3.3
111.08067	1.7
112.05176	2.5
115.07548	4.1
123.08001	2.7
125.09602	7.3
127.07552	19.8
135.08057	2.1
139.07562	4.4
153.09117	17.6
155.10638	6.9
163.11186	5.0
165.12726	2.7
171.10164	19.1
178.09927	3.4
181.12257	2.4
185.11757	20.9
188.78310	1.5
191.10721	2.7
197.11748	18.9
207.66324	1.4
209.11761	82.6
210.12115	4.6
225.11172	1.8
237.11148	1.8
238.12022	7.9
245.19037	2.9
256.13202	3.2
263.20386	1.9
279.19443	2.1
289.17990	11.9
307.19141	100.0
308.19464	7.0
325.20184	50.4
326.20624	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	7.4
58.00467	2.9
59.01240	2.9
61.88567	1.3
66.48685	1.0
69.03319	2.0
70.10353	2.4
71.01253	1.3
80.02567	1.8
83.04898	3.3
95.04897	1.3
97.06459	4.2
109.06455	1.8
111.08044	31.2
118.24627	1.0
123.08044	4.6
125.09613	38.2
127.11200	15.2
135.08046	2.9
137.09613	10.4
137.42564	1.4
139.11185	2.0
141.09116	4.4
148.25728	1.1
151.11194	4.8
153.09111	5.9
155.10689	7.5
157.12141	1.5
164.08351	3.1
165.09106	5.2
169.12256	1.9
171.10172	20.6
177.09088	2.3
183.10187	2.5
195.10185	4.8
197.11723	3.4
199.09737	4.4
199.13336	1.3
199.81711	1.2
201.11249	100.0
202.11539	4.8
209.11716	1.6
211.13286	3.4
213.11264	66.7
214.11644	1.9
227.12912	1.8
237.14931	5.1
245.19072	2.2
255.15913	1.5
289.00113	1.2
289.18069	30.6
289.21072	2.3
307.19144	51.4
308.19421	4.3
319.62640	1.2
325.20178	98.8
326.20590	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	325.2018
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.99622	1.0
57.03316	3.3
57.71649	1.0
59.01250	6.2
60.49131	0.9
68.02411	2.5
69.03316	1.2
71.01248	2.6
71.04895	3.2
73.02832	2.1
74.77670	1.0
75.20343	0.9
80.02541	6.2
83.04900	2.6
84.02048	5.8
85.02811	1.8
95.04915	1.8
97.06460	12.0
101.02345	1.1
110.87307	1.0
111.08063	1.2
113.09631	2.0
123.08050	6.4
125.09612	82.8
126.09940	2.4
127.11196	4.4
134.04669	1.3
135.08115	1.2
136.38124	1.2
137.09615	44.3
138.09932	1.8
140.57529	1.2
151.11185	1.9
153.09108	6.0
155.10664	11.5
163.06029	1.2
164.08313	2.2
165.12871	1.3
169.08633	2.1
171.10190	4.4
187.09680	4.1
199.09795	2.1
201.11214	1.9
209.11772	8.0
213.11313	1.4
227.12828	3.4
229.60602	1.5
253.18158	1.9
263.20364	1.2
279.19598	3.7
281.21237	2.9
289.18021	9.3
307.19141	100.0
308.19437	8.3
325.20273	20.4
325.24097	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	325.2017
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03326	6.6
58.00454	5.4
59.01250	32.3
69.03333	6.1
70.45268	10.3
71.01249	14.5
71.04916	2.9
72.99170	2.2
74.51314	2.1
76.21769	2.9
83.01289	2.4
84.02071	3.9
85.65044	2.2
93.03342	3.5
93.06985	3.1
95.04909	4.3
97.06462	4.2
98.19933	3.1
105.07009	5.1
109.06452	7.1
111.08039	59.8
112.58967	2.4
116.75047	2.5
116.90892	2.3
119.04818	2.7
121.06493	3.5
123.04429	3.1
123.08040	26.3
125.09637	11.1
127.07526	9.7
127.11160	14.5
133.06494	3.0
135.08057	15.2
137.09622	6.7
139.11195	4.9
146.85519	2.4
151.11150	3.1
153.09120	10.4
155.10663	16.1
157.12286	2.7
163.05972	2.6
163.11292	3.5
167.10683	16.6
169.12265	11.4
171.10178	99.7
172.10593	2.4
181.12280	2.7
183.10152	11.6
183.13713	3.0
185.10185	5.2
185.11751	66.5
186.11984	3.6
191.14328	2.9
195.10182	10.7
197.11778	49.4
198.12096	2.4
199.09731	2.8
201.11244	100.0
202.11661	3.7
207.10199	5.2
209.11723	4.5
213.11255	34.3
225.11226	5.1
227.12769	5.4
245.19092	12.9
246.19547	2.6
263.20236	3.2
289.18057	17.1
307.19043	12.8
325.20197	96.6
326.20566	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	325.0929
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
71.30565	0.8
80.24772	0.4
86.89606	0.3
88.77883	0.4
93.03310	0.4
96.95892	2.0
98.95470	3.9
98.96270	0.6
99.55943	0.4
107.33356	0.4
117.03368	0.4
119.04916	100.0
120.05239	4.1
163.03915	60.4
164.04248	2.2
180.61285	0.4
222.73643	0.4
242.46539	0.4
325.11731	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	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03315	4.0
59.01249	27.1
65.28240	1.3
71.01253	5.3
71.04907	1.3
71.57673	1.4
80.02553	6.5
80.22699	1.4
81.03327	3.6
83.04902	6.4
85.02808	2.0
89.02307	2.1
91.05400	1.5
95.04920	2.5
96.95881	1.7
97.02831	5.2
97.06462	57.5
101.02316	3.5
101.92813	1.3
104.87104	1.3
106.04109	1.7
109.06475	40.4
110.03619	1.9
113.02329	3.3
117.64149	1.6
119.04909	2.3
120.05692	2.6
123.08041	8.1
125.06072	1.6
125.09608	54.3
126.10004	1.9
126.87986	2.1
135.08028	23.7
146.12408	1.6
149.05994	1.5
151.07405	1.5
151.11050	1.4
151.54359	1.7
151.89966	1.5
153.09071	3.2
161.04617	2.1
161.05984	41.3
163.11189	8.7
169.08707	1.6
171.10239	3.5
181.10791	1.2
181.12231	6.8
185.11748	5.2
207.10199	23.1
208.10553	1.9
209.11798	5.5
215.32077	1.9
225.11284	24.9
243.17340	3.1
261.18677	5.0
267.14017	1.6
269.15402	3.2
277.18124	6.6
279.16010	75.0
280.16357	5.8
287.16571	23.2
288.16571	1.7
295.19147	2.3
305.17581	100.0
306.17941	9.8
323.09491	1.8
323.13049	3.7
323.18616	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69037	0.7
57.03302	1.4
59.01253	11.3
60.46778	0.8
70.32562	3.5
71.01244	1.6
71.04887	1.5
73.02833	0.8
80.02528	2.0
81.03323	2.8
82.56133	0.8
83.04894	7.1
85.02809	1.0
89.02318	1.1
95.04881	2.3
97.02821	1.3
97.06451	2.9
99.04383	1.5
101.02306	1.2
106.04060	1.0
107.04890	12.4
109.06458	2.4
109.36987	1.0
110.03594	1.6
113.02330	1.0
113.05940	2.1
115.48576	0.9
120.05617	0.9
121.02822	2.9
123.04428	2.0
123.08004	1.6
125.02316	4.0
125.05954	4.9
125.09622	7.6
125.69934	0.8
126.62026	0.8
135.08047	4.6
137.05977	1.1
153.09109	13.1
161.04485	1.2
163.11179	6.3
165.12729	3.6
171.10158	1.1
176.08319	2.6
178.09882	4.0
181.12186	1.1
185.11697	2.4
191.10753	1.9
197.11763	12.1
207.10194	7.9
209.11761	100.0
210.12132	6.6
225.11311	5.4
236.10539	2.0
243.17488	2.1
245.15474	1.3
254.11508	1.1
261.18597	5.1
261.21234	0.9
269.15576	1.0
277.17905	1.6
279.19620	2.7
287.16461	10.1
305.17624	79.5
305.21170	10.1
306.17889	5.9
306.21420	1.9
323.18665	11.7
323.22308	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83392	2.1
55.01755	3.9
57.03331	18.2
57.85724	2.1
58.77026	2.1
59.01249	46.0
67.56283	2.2
69.03339	3.0
71.01250	7.3
71.04890	21.9
73.02811	2.9
79.05482	2.1
81.03317	5.6
83.01256	10.6
83.04901	16.3
84.02032	9.4
85.02828	7.9
85.06456	4.5
89.02328	6.6
89.39607	2.0
93.03340	4.4
95.04894	44.7
96.95868	4.7
97.02779	3.9
97.06466	14.4
99.04391	5.2
101.02329	6.5
101.05971	10.1
106.04105	3.5
107.04917	4.7
109.02798	3.2
109.06462	14.7
111.04417	3.8
111.08016	2.3
113.02341	7.8
113.05962	30.6
121.02870	5.2
121.06433	3.0
122.03552	2.4
123.04382	4.4
123.08032	5.6
125.05975	2.8
125.09614	13.1
135.08032	13.8
136.05154	3.7
149.09630	2.9
151.07579	3.4
153.09122	4.5
161.04471	5.7
163.11179	7.6
165.09151	2.8
165.12772	4.2
167.10709	4.7
171.10159	7.7
177.12756	6.4
179.10614	2.3
181.12332	2.4
185.11868	12.3
189.12738	6.2
191.10719	3.8
195.13860	5.6
195.17375	2.0
203.10814	5.7
205.15886	4.0
206.92438	2.2
209.09860	4.5
209.11763	55.3
210.12216	2.4
211.13257	3.0
221.11691	4.2
225.11272	7.2
231.13823	4.5
237.14920	100.0
238.15166	5.9
243.17517	9.6
247.13379	3.7
249.14993	4.5
261.18484	2.9
265.14490	10.6
277.18002	4.4
279.16061	4.2
287.16534	43.1
288.16998	3.8
305.17593	62.7
306.17822	4.4
323.09793	3.4
323.18607	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	323.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55454	0.2
59.01258	1.1
59.49714	0.2
71.28077	0.5
73.02816	0.6
79.95581	1.2
84.98663	0.2
89.02301	0.3
90.65881	0.2
95.33089	0.2
96.95884	100.0
97.40223	0.2
97.95837	0.3
98.69389	0.2
98.95470	0.2
113.02312	0.2
183.12173	0.2
189.72400	0.2
288.73624	0.2
323.11661	80.6
324.11981	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	323.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76368	1.2
69.76776	0.9
79.95607	0.9
84.29775	0.3
96.95888	100.0
102.24092	0.3
305.10724	0.7
323.11673	76.6
324.01236	0.4
324.12021	4.5
324.92578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
62.01418	0.4
70.88520	0.7
70.88842	0.5
76.42915	0.4
79.95599	1.6
96.95886	100.0
118.96169	0.4
182.31845	0.4
189.64259	0.4
236.12573	0.4
242.87454	0.3
245.41766	0.3
323.11664	64.8
324.11951	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	323.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89632	0.5
59.01239	2.2
61.25223	0.5
66.62110	0.5
69.53502	4.4
70.55762	0.5
71.01248	0.6
72.71687	0.4
79.95612	2.0
82.06866	0.5
96.95882	100.0
98.95457	0.7
101.02320	0.6
113.02306	0.7
117.01931	0.5
131.37965	0.6
161.04449	0.7
232.97888	0.5
253.90353	0.5
316.61850	0.5
323.11664	53.8
324.12006	2.8
329.51202	0.5
340.64200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.75132	0.5
60.01579	1.0
71.01270	4.1
71.12257	0.6
71.57361	0.9
73.02843	0.8
79.95610	2.5
85.02817	1.3
89.02328	0.9
96.95887	73.6
98.95489	1.9
99.57725	0.6
101.02336	2.5
113.02378	0.9
145.02904	0.7
145.07651	3.1
159.04469	0.9
161.04526	1.1
170.23520	0.6
188.08284	2.7
214.09834	1.5
241.14381	3.7
261.13528	1.5
264.34851	0.6
266.25757	0.6
321.10156	33.8
322.10510	2.8
326.58777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48750	0.6
52.42352	0.6
57.03304	0.7
57.35883	0.6
59.01251	100.0
60.01587	1.0
69.07680	0.7
71.01251	5.6
71.57671	1.0
79.77288	0.6
79.95634	1.1
85.02828	0.8
87.00759	0.8
89.02306	4.2
96.95891	27.5
98.95477	7.5
98.96332	1.1
101.02332	2.5
102.71931	0.7
109.06521	0.6
113.02368	1.9
119.03412	1.7
136.07614	1.3
138.05525	1.7
143.03362	0.6
159.04485	1.6
195.13869	0.7
208.05540	0.6
214.12802	0.6
233.06703	1.0
239.12820	1.0
259.10843	0.6
301.82288	0.7
303.09076	0.9
321.10327	13.5
321.13873	0.5
322.10718	1.1
337.66428	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	321.2069
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01249	100.0
60.01582	0.5
67.93816	0.4
69.76780	0.4
69.94028	2.2
70.97025	0.3
79.07016	0.3
98.19880	0.8
103.03881	0.5
115.28605	0.4
123.09577	0.4
191.23520	0.4
219.17378	0.4
245.18999	0.9
277.18167	0.8
289.18097	2.8
321.20688	52.7
322.20987	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	322.2022
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
56.62807	0.2
58.02849	1.8
81.03334	0.6
84.12994	0.3
95.04918	0.7
97.06458	0.4
109.06460	0.6
128.10698	8.0
130.08627	100.0
131.08961	2.4
165.12698	0.9
172.09647	0.3
276.93402	0.2
278.21008	0.3
322.20209	33.0
323.20526	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	323.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15492	0.1
57.03313	0.1
59.01252	1.0
61.42249	0.1
71.01266	0.5
71.56038	0.1
73.02821	0.6
76.80437	0.1
79.95611	1.5
79.96076	0.1
85.02818	0.2
87.00752	0.2
89.02311	0.1
96.95889	100.0
97.95829	0.2
98.95490	0.3
99.00742	0.2
100.84194	0.1
101.02318	0.3
104.24916	0.1
113.02339	0.2
126.17811	0.1
137.42517	0.1
139.97774	0.1
142.99805	0.1
143.03433	0.2
161.04445	0.3
211.00005	0.1
263.05850	0.1
279.09137	0.1
287.06094	0.1
311.46127	0.1
323.11673	53.3
324.12000	3.5
324.15903	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	321.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
59.01249	1.0
70.90606	0.4
71.01252	0.3
79.95609	3.6
80.96392	0.5
81.95213	0.3
95.95133	0.2
96.95891	100.0
97.95821	0.3
98.95476	3.4
98.96263	0.3
101.02317	0.2
115.24078	0.2
170.92331	0.2
233.12105	0.4
239.12640	0.2
253.54388	0.2
258.11432	0.2
303.09058	7.9
304.09439	0.7
306.07068	0.2
321.10132	22.8
322.10403	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	321.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.5
69.84818	0.3
69.88022	0.3
70.96932	0.7
70.97284	0.4
71.01258	0.8
79.95602	1.8
80.96400	0.5
85.02818	0.6
87.00755	0.3
96.95888	100.0
97.95822	0.4
98.95466	1.8
98.96260	0.5
101.02296	0.8
106.49015	0.3
113.02313	0.6
137.02289	0.3
167.10704	0.3
218.33952	0.3
259.06653	0.4
261.07986	0.5
279.14523	0.5
303.08997	2.2
321.10135	35.4
322.10684	1.8
335.96326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27209	1.1
59.01253	21.5
69.77750	3.4
69.78164	2.9
71.01250	5.8
78.95773	10.7
79.95609	1.2
84.04414	1.3
88.23239	0.9
92.43805	0.9
94.02819	0.9
95.04877	1.2
96.95891	16.9
96.96845	1.6
98.76114	1.0
98.95461	1.1
107.03621	2.6
108.04421	3.3
109.06059	1.0
112.03928	22.8
121.05247	4.8
122.06007	41.6
123.06279	1.7
124.03930	22.0
124.07574	9.0
134.06049	1.6
136.07578	100.0
137.07883	2.1
138.05531	2.0
138.09100	3.1
140.07074	17.1
150.05490	2.5
152.03394	1.7
152.99487	1.3
166.04932	1.4
167.05739	2.5
168.06575	18.8
171.00529	4.5
180.06561	8.9
181.91237	1.1
184.06075	58.1
185.06380	1.8
190.82208	1.1
203.52667	1.0
216.13814	2.5
231.11295	2.0
243.11430	2.1
259.10910	1.8
259.14505	3.2
269.78357	1.2
277.11786	1.8
303.10257	2.1
303.13492	19.2
306.36603	1.2
307.81613	1.1
321.10251	6.5
322.09592	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	321.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.4
59.01249	0.9
69.49543	0.2
71.01241	0.2
71.43609	0.2
79.95602	1.3
80.15939	0.1
80.96392	0.1
85.02801	0.2
85.15513	0.1
87.00728	0.2
90.52581	0.1
96.95885	100.0
97.66162	0.1
97.95848	0.2
98.95477	0.5
99.04369	0.2
101.02322	0.2
107.46275	0.1
110.35903	0.1
117.95937	0.1
122.97465	0.2
129.01851	0.2
165.09151	0.4
169.39699	0.1
180.78688	0.1
192.66151	0.1
240.40259	0.1
303.09052	1.1
308.90561	0.1
321.10107	40.8
322.10410	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	321.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02812	0.1
54.75675	0.1
55.59974	0.1
57.03318	0.2
59.01240	0.3
66.64040	0.1
68.74586	0.2
70.97563	0.4
79.08442	0.1
79.95604	1.2
83.04897	0.3
85.84254	0.1
96.95888	100.0
97.95802	0.2
111.92565	0.1
126.60638	0.1
133.10065	0.2
147.94296	0.1
151.11215	0.2
153.12740	0.5
161.09624	0.6
163.11192	0.6
181.12181	0.2
182.13335	0.1
195.13828	0.3
197.15488	0.2
207.09969	0.2
241.14415	12.1
242.14694	0.7
274.23154	0.1
321.10114	21.4
322.10391	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	319.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34270	1.0
57.03318	2.9
59.01251	8.8
69.03323	1.1
69.41953	3.1
69.42382	5.4
71.01248	5.0
74.02339	1.0
75.93661	0.9
79.95619	1.6
84.04434	1.1
89.02322	1.4
96.95891	100.0
98.19815	2.0
101.02322	1.2
110.02415	0.9
111.08019	1.3
112.03923	13.8
120.04424	1.8
121.05244	5.4
122.06042	7.4
123.03152	19.2
123.08076	1.4
124.03941	21.2
126.90680	0.9
128.51634	0.9
134.05965	1.6
136.07579	49.2
137.05977	4.1
137.07945	1.7
138.05505	98.9
139.05835	3.3
140.07065	5.5
146.94756	1.0
150.05521	2.7
157.08629	3.9
163.13544	0.8
182.04514	10.4
183.05275	8.7
184.06081	24.9
185.06393	0.9
195.13815	1.5
206.68520	1.0
214.12306	1.1
215.04251	3.1
233.11986	1.1
239.12862	4.2
257.12961	11.9
319.08536	13.9
319.13107	10.6
319.20984	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	319.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	10.7
59.01237	1.7
69.33910	2.2
69.34339	4.6
71.04858	0.7
72.00783	5.3
76.58891	0.8
82.06487	2.6
85.02824	1.2
91.05404	12.7
93.50049	0.7
96.95882	10.5
98.19725	1.7
112.07564	4.0
118.06489	3.0
126.09121	1.1
129.10228	87.3
130.10609	1.3
133.02791	0.8
135.04373	1.1
147.04416	31.9
147.05589	1.5
148.04771	1.6
153.10291	4.4
154.08629	12.6
156.91069	0.7
164.07079	73.1
165.07425	2.0
171.11302	63.2
172.11652	1.8
216.13821	1.6
233.16541	40.9
234.16850	1.5
275.17642	6.0
276.17725	0.8
277.15518	2.8
287.09485	0.9
308.63541	0.7
319.16595	100.0
320.16916	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	321.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35891	0.2
55.72443	0.2
57.36388	0.2
57.56205	0.2
59.01242	0.5
62.34102	0.2
70.88858	0.2
71.01254	0.2
71.26923	0.4
79.95593	1.2
80.49880	0.2
93.03328	0.2
96.95889	100.0
97.95831	0.3
126.01963	0.2
176.30051	0.2
277.07669	0.2
321.10147	5.7
322.10449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0856
Annotation	N-Acetyl Sulfamethazine
Peak:m/z	Relative Intensity
51.07833	0.2
52.61925	0.3
57.03324	9.0
69.03314	0.6
69.90126	1.6
71.04899	0.4
71.93675	0.3
79.95619	1.2
96.95888	100.0
97.06451	0.3
98.20522	0.5
109.06477	1.3
123.08037	2.1
125.09615	0.9
135.08080	0.4
151.11180	2.0
171.25496	0.3
179.10738	0.6
195.13840	6.4
196.14177	0.7
239.12845	16.9
240.13196	1.1
245.05299	0.3
274.98364	0.3
319.08548	21.2
320.08734	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0856
Annotation	N-Acetyl Sulfamethazine
Peak:m/z	Relative Intensity
59.01244	0.7
59.51071	0.1
71.44853	0.3
79.95605	9.3
80.96377	0.1
81.01416	0.1
87.00729	0.2
95.95106	0.6
96.95888	100.0
97.95830	0.3
116.28443	0.1
122.97459	0.7
153.09167	0.2
183.12340	0.2
219.06866	0.2
248.35854	0.1
287.09543	1.3
319.08560	26.9
320.08890	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	319.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99880	0.1
57.03325	3.8
59.01228	0.3
68.02412	0.2
69.03336	0.2
71.04917	0.2
71.56887	0.2
79.95603	6.8
80.96390	2.6
83.04903	0.2
92.49770	0.1
95.04926	0.2
95.95133	0.2
96.62642	0.1
96.95886	100.0
109.06458	0.8
121.06440	0.2
123.08051	0.9
125.09609	0.2
128.25276	0.2
135.08031	0.2
151.00613	0.2
151.11160	0.8
177.09012	0.2
179.10756	0.3
189.06563	0.3
195.13821	3.0
196.14249	0.2
206.09367	0.2
239.12851	6.9
240.13231	0.3
258.23352	0.2
301.07571	0.3
319.08569	29.8
319.12067	2.2
320.08893	2.0
320.12402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1606
Annotation	Kankanoside D
Peak:m/z	Relative Intensity
59.01252	1.3
63.88139	0.4
67.68101	0.5
69.41044	4.2
73.02814	3.2
73.53400	0.4
79.95602	0.6
85.02785	0.5
87.65798	0.5
96.95893	2.8
114.03784	0.5
128.39806	0.5
135.08038	1.1
137.09619	6.8
155.10683	100.0
156.11005	4.3
174.36542	0.4
175.47803	0.4
181.08723	0.5
199.09691	62.6
199.13327	4.2
200.10043	2.5
206.65700	0.5
243.12434	0.8
317.05731	0.6
317.16095	25.3
317.19666	2.0
318.16376	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	319.0853
Annotation	N-Acetyl Sulfamethazine
Peak:m/z	Relative Intensity
50.34379	0.1
57.03321	0.7
59.01235	0.4
60.34473	0.1
69.89838	0.8
71.01225	0.4
73.02805	0.1
79.95605	2.2
80.96388	0.5
95.04973	0.2
96.95885	100.0
97.95819	0.2
98.20588	0.2
98.94915	0.2
98.95482	0.9
109.06442	0.2
111.65881	0.1
120.09399	0.1
123.08069	0.2
137.05885	0.2
137.09602	0.2
176.81952	0.1
195.13806	0.9
221.11792	0.3
239.12886	1.8
245.03900	0.1
251.06023	0.2
301.07593	0.4
314.61218	0.2
319.08554	27.3
320.08832	1.5
333.97009	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	317.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.6
65.00191	0.5
69.45377	2.8
71.01255	0.5
73.02808	3.0
81.14017	0.4
83.01247	0.4
95.01225	0.5
98.20486	0.9
99.00767	0.5
107.01309	0.5
109.02845	2.3
111.00808	0.4
123.00806	0.4
125.02338	0.6
125.15188	0.4
135.08061	0.8
137.02367	0.7
137.08675	0.6
137.09618	7.4
139.00252	0.4
146.73405	0.4
149.02298	0.4
151.00270	2.5
152.01018	0.8
153.01820	0.6
155.10677	100.0
156.11021	4.0
161.02779	0.3
163.00275	1.9
178.99808	1.7
190.99870	0.9
199.09683	47.4
200.10042	1.3
206.99304	0.4
208.00029	0.5
227.03479	0.6
227.09007	0.4
243.02809	0.4
255.02849	0.5
271.02386	0.9
299.02017	0.8
317.03036	3.1
317.12433	7.8
317.15326	0.4
317.19583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87203	1.0
57.03320	2.4
59.01253	7.5
65.90647	1.0
67.69466	0.9
71.01254	6.0
71.04891	4.4
71.72753	0.8
73.02818	1.9
79.95592	6.7
80.96388	2.8
83.04914	1.1
89.02317	2.6
90.98460	3.6
91.03882	4.3
96.95894	37.9
97.02842	2.9
97.06481	2.5
99.00752	17.9
101.02285	1.2
101.79144	0.9
109.06466	1.1
111.63509	0.9
123.08054	1.6
123.11790	0.8
125.09625	6.7
127.11178	3.6
127.21001	1.0
135.08057	1.4
137.09616	1.9
142.02605	1.8
143.98148	1.0
153.12772	1.8
155.10689	14.8
155.14316	1.4
163.11192	7.9
166.92177	1.1
181.12270	22.9
197.11804	3.3
199.09651	9.5
199.13333	88.7
199.83977	1.0
200.13638	4.3
206.48297	1.1
207.10210	34.3
208.10602	1.7
225.11270	99.8
226.11705	5.7
227.12804	1.5
243.12350	48.8
244.12703	2.6
273.09888	1.0
273.12421	6.1
274.12872	1.0
299.10229	1.1
299.15002	3.7
299.18225	1.0
317.05823	4.0
317.10678	13.4
317.16080	100.0
317.19666	9.9
318.10880	1.2
318.16382	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	317.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48599	1.1
71.04337	3.0
80.04954	1.6
96.95857	2.1
106.06501	100.0
107.06831	3.2
110.02373	3.0
116.04942	4.1
122.05990	3.6
123.03131	2.1
132.04454	2.9
134.05988	3.3
138.05498	17.9
140.07086	16.4
144.08076	3.3
145.66782	1.2
146.89064	1.0
150.05489	11.1
152.03439	43.9
157.08844	1.3
158.09692	2.8
166.05005	17.3
167.05791	98.8
168.06172	2.4
170.09665	4.2
171.10434	1.6
178.04922	1.1
181.42644	1.2
184.06418	1.7
184.11215	1.7
186.12851	12.7
187.13165	1.8
194.04514	1.8
200.07014	1.6
201.07848	15.5
202.12268	1.5
215.09457	7.0
225.06638	5.1
226.07422	7.2
227.11906	1.7
230.11821	42.9
231.12117	2.8
239.08206	2.8
240.09010	6.5
245.07008	1.2
255.08687	2.6
255.11346	46.8
256.11731	2.8
273.12427	50.1
274.10519	8.6
274.13388	1.9
299.10364	12.1
317.11401	55.0
318.11801	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	317.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.6
60.81442	0.4
64.47027	0.4
71.01254	5.3
71.31692	0.7
72.99147	0.5
73.02825	0.7
78.98456	3.1
79.95602	5.5
80.96387	41.0
82.95959	0.5
85.02824	1.6
85.48720	0.5
87.00741	1.3
94.97958	9.0
96.95908	1.9
97.02826	1.0
99.00752	0.6
101.02311	1.2
106.97960	2.0
107.30051	0.4
122.97466	1.7
125.02326	1.3
134.97472	3.3
136.93915	1.9
136.98959	0.7
137.94023	0.4
138.93608	4.1
148.99065	3.3
152.98544	3.8
164.98538	5.9
206.99617	1.3
216.89590	1.1
218.89291	5.4
224.98419	0.5
225.00684	9.7
234.90770	0.8
236.90349	2.8
274.84991	0.5
274.88763	1.1
289.87344	0.4
298.85770	0.4
298.88907	0.6
316.86136	6.0
316.89807	2.0
317.05453	100.0
318.05768	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	315.2539
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
59.01249	4.4
64.45758	0.4
69.73569	2.8
72.99229	0.4
75.64622	0.4
76.90983	0.4
95.04891	3.6
97.57735	0.4
103.91976	0.5
118.82237	0.4
125.09604	1.0
127.11169	3.8
139.11180	0.6
141.12750	5.5
143.10651	0.9
155.10689	1.3
157.12302	0.8
157.66649	0.4
161.43167	0.4
169.12236	0.5
171.10185	2.3
171.13792	1.9
188.98430	0.6
201.11226	1.2
219.84357	0.4
232.97517	1.6
251.23683	0.5
278.11322	5.7
279.23364	1.6
297.24402	9.8
298.24847	0.7
313.23856	4.8
315.25372	100.0
316.25714	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	317.0299
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
59.01253	33.8
60.42573	3.1
63.02278	10.4
65.00195	15.1
67.01768	6.3
68.99691	4.2
69.03329	6.4
70.85954	8.7
71.01250	7.8
74.02341	4.3
79.01780	6.2
79.95634	3.1
80.04935	11.0
80.96385	6.5
83.01266	14.1
87.00756	3.5
90.98459	3.8
91.01775	8.8
91.79604	3.4
93.03339	30.3
94.97978	3.1
95.01246	22.9
96.95880	29.7
99.00754	30.7
107.01260	24.2
109.02821	16.3
111.00758	32.2
117.03361	25.9
119.04922	9.3
121.02821	4.5
123.00765	31.7
124.01559	4.6
125.02341	22.3
125.29018	2.9
131.04933	6.8
133.02876	5.4
135.00797	18.9
135.04359	4.6
136.98737	4.7
137.02347	18.1
137.09625	3.6
139.00256	33.1
141.01859	17.2
143.04890	4.2
145.02849	5.6
145.05255	11.1
147.04407	6.4
149.99527	6.3
151.00278	54.1
151.01480	4.4
153.01843	21.7
155.10704	10.1
159.04462	13.6
161.02373	14.5
161.05899	5.5
161.07118	49.9
163.00301	13.3
164.01033	3.7
166.99789	32.0
168.00569	6.6
168.11694	3.1
169.01375	10.7
171.04398	7.1
173.06006	6.1
175.03906	9.2
177.99075	7.7
178.99759	47.4
179.03310	3.6
183.04428	6.7
187.03929	12.2
189.01921	7.4
190.99866	7.6
191.03418	5.8
192.00603	5.5
193.01390	5.2
194.99246	27.2
199.03940	6.9
199.09676	5.9
199.13333	8.1
201.05493	16.9
202.85167	3.5
203.03467	10.4
205.05043	6.0
206.99391	6.5
215.03482	3.8
216.70074	3.5
219.02811	7.1
222.98936	3.1
227.03476	13.5
229.05046	11.4
231.02995	29.9
243.02956	9.9
245.04527	9.1
255.02931	13.2
257.17505	5.3
271.02441	16.4
273.03952	11.5
273.12445	100.0
274.12796	6.5
289.03644	20.8
299.02063	16.0
300.02509	4.2
317.02740	63.9
317.05487	9.6
317.10968	17.1
317.14328	4.7
317.16299	4.9
317.19379	19.1
318.03430	5.4
324.72424	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	315.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24122	0.4
59.01233	0.8
65.03850	0.4
69.89108	2.6
71.01254	2.7
73.02814	0.7
81.03306	0.8
83.01269	0.5
85.02833	2.7
93.35764	0.4
95.01251	2.0
99.00725	0.5
101.02315	1.2
108.02051	100.0
109.02847	35.2
110.03159	0.9
111.26912	0.5
113.02341	0.9
121.02833	0.8
122.89295	0.7
123.00742	1.3
123.04396	1.7
142.99719	0.5
151.03935	0.9
152.01053	55.5
153.01840	31.1
154.02174	0.7
161.00890	0.8
163.03896	1.1
164.04396	0.5
165.01874	1.1
177.45660	0.4
225.04005	0.8
315.07202	47.2
316.04413	0.5
316.07440	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	315.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54634	0.6
57.03312	0.9
59.01236	2.6
65.00189	0.7
69.03327	3.9
70.18391	0.5
71.01236	1.7
71.04885	1.9
71.57718	1.0
76.04019	0.6
83.01217	0.6
84.87333	0.5
87.45159	0.5
91.03886	1.9
91.44161	0.5
96.95889	10.0
107.01274	1.7
123.08043	1.1
125.09583	1.9
141.80771	0.6
151.00249	3.3
151.11185	1.5
152.01045	0.7
153.09135	1.1
153.12788	1.4
161.02364	0.8
161.09630	4.3
163.00281	1.1
178.99773	1.9
179.10689	13.5
183.10170	1.4
197.11766	100.0
198.12079	4.5
215.03561	0.8
223.09749	2.5
241.10777	18.0
287.01968	2.0
314.35690	0.6
315.01691	4.2
315.08807	1.8
315.14505	44.3
315.17679	1.5
316.01993	0.6
316.14786	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01246	1.2
66.19751	0.5
69.88824	1.4
69.89240	0.8
71.01244	3.6
73.02810	1.1
81.03346	1.1
85.02815	2.6
91.04316	0.5
95.01282	1.5
99.00770	1.4
101.02328	1.2
107.04889	0.5
108.02051	100.0
109.02844	38.8
110.03154	1.0
113.02344	1.3
115.00317	0.5
121.02824	1.6
122.89317	1.1
123.00757	1.4
123.04386	1.2
133.02847	0.8
135.00789	0.5
135.04376	0.6
142.99770	0.8
151.03908	1.9
152.01053	71.5
153.01848	37.4
154.02144	1.2
161.00789	1.2
163.03888	1.5
165.01845	1.9
195.02875	0.5
209.75366	0.4
212.10864	0.5
278.17050	0.5
315.07211	64.3
316.07587	2.8
325.76154	0.4
333.84457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.8643
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62269	3.0
74.86988	1.1
79.95618	2.1
80.96390	14.2
93.40016	1.1
94.98038	1.1
96.95883	5.9
103.51132	1.0
113.02305	1.4
122.97437	1.2
134.18407	1.1
136.93900	100.0
137.93951	4.9
141.01834	1.1
142.38921	1.1
178.94922	1.9
216.89619	73.4
217.89638	4.3
234.90692	45.2
235.90741	3.1
252.93565	1.5
272.85440	28.1
273.85483	2.1
287.84119	7.9
290.86465	17.3
291.86591	1.3
296.85544	3.9
305.85071	1.5
314.86435	89.7
315.03949	13.2
315.86508	5.9
316.84457	1.3
332.87506	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.02827	0.4
59.01254	0.6
59.79942	0.5
69.03314	0.4
71.01257	2.3
71.33204	0.9
73.02820	1.1
76.35943	0.4
81.03322	1.1
83.01266	0.6
85.02818	1.9
93.03365	0.6
95.01250	1.7
101.02330	1.3
108.02051	100.0
109.02849	29.8
109.38519	0.4
110.03181	0.7
113.02327	1.2
121.02775	1.1
123.00765	1.4
123.04391	0.8
133.02800	0.6
151.03932	1.5
152.01054	64.0
153.01842	35.0
154.02194	1.1
163.03909	1.1
163.46674	0.5
165.01765	2.6
213.42087	0.5
225.03969	0.6
269.35928	0.5
315.07208	86.1
316.07513	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	314.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71384	0.3
57.03332	1.9
59.01234	0.3
69.64812	2.2
72.00761	0.3
72.50217	0.3
73.02821	2.2
73.03927	0.7
79.95603	0.6
88.03969	0.4
96.95888	9.9
97.06468	2.5
99.08040	0.9
101.02322	23.5
102.02684	0.4
108.08095	0.4
111.04381	0.4
111.08044	8.9
112.08313	0.4
113.09672	0.8
114.09148	1.3
115.07535	100.0
116.07866	2.5
124.11198	0.7
128.10710	1.1
136.11229	0.9
138.09171	0.9
140.10689	0.6
141.85622	0.3
152.10794	0.4
154.12270	0.6
156.10214	13.1
158.11772	12.0
159.12137	0.5
191.14352	2.4
198.11276	1.9
204.17479	1.0
210.14970	0.6
216.12343	1.9
222.18605	1.3
234.18614	1.1
252.19698	0.8
264.34775	0.3
272.65021	0.3
276.30597	0.3
286.46774	0.4
296.18695	2.1
314.19733	41.3
315.09299	1.5
315.20178	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	313.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96233	1.8
59.01250	100.0
60.01570	1.7
70.60103	5.4
71.01260	2.0
72.99175	1.7
73.02833	1.8
89.02324	4.6
92.76973	1.7
101.02328	2.8
121.02856	3.4
123.93295	1.7
245.60640	1.7
253.09216	2.7
258.81729	1.5
268.99759	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	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
59.01258	2.4
60.70115	0.4
60.88535	0.5
65.52621	0.4
71.01237	0.8
89.02306	0.7
98.19761	1.1
111.08060	0.4
121.02852	0.7
125.09615	0.8
127.11166	1.8
135.11993	0.5
139.11201	0.5
152.22159	0.4
155.10661	3.1
169.12265	0.4
171.10178	6.3
180.24135	0.4
207.10135	0.9
229.27029	0.6
253.09122	0.6
267.23251	0.7
277.21854	0.5
285.14474	0.5
293.21353	0.4
295.22845	7.5
296.23080	1.0
308.25024	0.5
311.22220	1.2
313.17822	3.5
313.23837	100.0
314.24194	7.6
314.27502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55114	0.5
55.01748	1.1
59.01248	1.6
67.17548	0.5
70.98084	1.5
71.01235	0.8
71.04899	4.3
72.00787	1.0
73.02810	1.4
79.95617	0.5
80.48856	0.6
84.04424	0.6
85.06467	9.7
87.04361	0.7
96.95908	1.0
97.06458	1.5
99.00754	24.5
99.08034	2.3
104.61961	0.6
109.06478	3.1
111.04403	31.4
111.08042	1.0
112.04739	0.7
113.09665	0.9
114.09124	7.5
115.07537	19.5
116.07085	0.6
116.07873	0.8
126.09131	0.7
127.07541	26.7
127.11187	0.9
128.10710	5.4
129.04613	0.9
129.05478	11.6
138.09143	2.1
138.46220	0.5
140.10696	2.7
145.02870	0.8
152.10715	1.2
153.12752	1.1
156.10208	64.8
157.10570	2.9
158.11772	100.0
159.12123	3.3
169.12228	0.7
171.06546	13.5
182.15388	1.0
196.09752	3.2
212.16531	3.6
214.10820	5.8
231.28578	0.5
250.18094	2.0
312.12454	0.9
312.18149	18.9
313.11603	0.9
313.18524	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	313.0717
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01251	0.4
70.32263	0.4
70.32658	0.3
77.03859	0.3
93.03297	0.2
98.20721	0.2
121.02840	100.0
122.03176	2.8
143.57426	0.2
148.53879	0.2
180.05678	1.0
181.06506	4.9
182.06827	0.2
190.19563	0.2
197.05984	0.2
211.07698	0.2
225.05522	6.5
226.05869	0.5
243.89122	0.2
269.08209	0.4
313.07150	12.5
314.07550	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	313.1194
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
52.56401	0.3
56.02945	0.4
59.01241	0.3
69.40350	3.0
70.26361	0.3
82.75963	0.3
92.04928	0.8
94.06494	4.2
96.95923	0.5
98.19827	0.7
103.04211	0.4
104.04937	5.0
104.05576	0.6
106.06487	0.5
107.03644	8.6
120.04441	1.3
121.05237	0.7
122.06002	48.3
123.06342	1.2
124.07570	1.2
132.04485	0.5
134.06020	1.8
135.04399	0.4
139.02605	2.1
147.03156	0.4
148.03941	68.8
149.04279	2.3
152.07071	76.9
153.04153	0.4
153.07430	2.7
160.03943	20.5
161.04636	1.5
162.05502	0.6
191.05498	0.5
193.03740	0.6
240.08849	0.6
253.09390	0.4
255.11325	4.0
256.11688	0.4
267.11426	1.2
268.08514	0.4
283.10675	0.8
285.12451	12.1
286.12637	0.4
313.11926	100.0
314.12238	7.2
330.47214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
56.49859	0.9
57.03315	2.7
59.01234	1.9
74.33817	1.0
83.04856	1.1
86.38125	0.9
98.20636	2.4
99.08064	2.3
113.09616	2.7
125.09563	1.9
127.02624	0.9
127.11176	2.9
129.09120	6.5
139.11157	5.4
147.21857	1.0
151.11200	1.0
152.28188	1.0
168.83179	1.2
169.12276	2.0
171.10187	27.2
172.10461	1.2
181.12296	4.0
183.10109	2.3
183.13872	2.1
185.11766	4.2
193.12297	1.4
197.11739	7.5
199.13304	4.3
201.11253	4.5
211.13342	17.4
275.20261	2.5
293.21225	20.0
311.22275	100.0
312.22672	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54050	0.5
50.55108	0.5
57.03338	1.7
59.01254	3.7
60.38261	0.5
71.04924	0.6
83.04901	0.8
87.83434	0.5
90.46928	0.5
97.06470	0.9
98.19757	1.0
99.08042	0.7
111.08080	0.7
113.09580	2.4
121.10141	1.1
125.09641	2.1
127.11196	2.0
129.09116	0.9
137.09628	0.9
137.86459	0.5
139.11180	10.9
139.12234	0.7
141.12814	0.5
153.09106	0.6
153.12805	0.5
155.10684	0.9
163.11208	3.8
165.12816	0.6
167.10655	1.4
168.11429	1.5
171.10173	23.2
172.10526	1.0
181.12238	0.8
182.13028	0.8
183.10223	0.9
185.11774	2.8
197.11792	0.9
201.11188	3.3
211.13312	2.2
213.14885	0.7
249.22166	4.4
265.21707	0.8
275.20169	1.6
293.21216	73.6
294.21481	4.9
311.22247	100.0
312.22607	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.0
59.01240	1.8
71.04908	0.6
83.04897	1.5
96.49296	0.8
97.02802	0.9
97.06496	0.8
99.08041	2.4
105.25480	0.6
113.09619	3.5
121.10099	1.7
123.08002	0.8
125.09637	1.0
127.07511	0.8
127.11112	1.2
129.09094	5.0
139.11147	5.0
151.11191	1.0
153.12750	1.6
165.12695	1.0
167.10773	1.0
169.12260	2.8
171.10162	14.5
172.10489	1.1
181.12216	4.7
183.13785	2.2
185.11758	3.4
186.76988	0.6
193.12234	5.1
197.11748	11.0
199.13338	4.7
201.11128	1.7
211.11443	1.3
211.13332	17.9
212.13652	0.6
229.20496	0.8
275.20135	2.7
293.21207	23.6
294.21570	1.2
311.22256	100.0
312.22623	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	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03310	0.5
59.01243	1.1
71.04834	0.4
71.05185	0.7
84.17999	0.3
84.83055	0.4
97.06448	0.9
99.07989	0.3
106.79536	0.2
109.49085	0.3
113.09592	0.8
115.07549	1.4
127.06502	0.2
127.07523	0.9
128.08325	0.8
153.12755	0.5
157.08597	0.9
165.85800	0.3
167.14328	3.3
168.14670	0.4
183.01033	0.3
183.13835	2.7
188.19098	0.3
195.13831	10.9
196.14177	0.4
208.88031	0.3
211.13373	1.3
213.14882	1.6
229.14290	0.4
241.14363	0.4
242.15239	0.9
249.22202	0.7
264.74942	0.3
265.21530	0.8
267.23169	0.8
275.20203	0.6
293.21222	8.0
294.21378	0.5
311.22256	100.0
312.22607	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03288	1.3
59.01200	1.0
60.79326	0.5
70.80300	1.2
71.04852	0.9
79.64521	0.5
82.18215	0.5
99.07983	0.7
111.26369	0.4
113.09570	1.1
125.09509	1.0
127.11160	0.8
129.09006	1.1
139.11084	1.5
153.12749	0.6
154.09875	1.5
164.10429	0.4
164.96420	0.4
171.10162	0.8
177.12796	2.6
178.13522	0.6
181.12248	1.0
183.09981	0.5
193.12248	0.7
195.13795	3.6
196.14590	1.1
197.11720	1.0
211.13361	3.3
249.22244	3.3
265.21710	0.7
267.23172	0.5
275.20001	0.7
293.21213	78.5
294.21548	6.3
300.21088	0.6
311.22266	100.0
312.22617	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50223	0.4
57.03323	8.6
59.01245	1.6
69.47181	1.3
69.47606	2.0
71.01233	0.4
73.02817	8.6
79.95601	15.1
89.29157	0.4
95.95102	4.1
96.95882	14.2
96.96507	0.9
103.03888	100.0
104.04241	1.7
107.93920	0.4
109.96648	0.5
141.95659	1.3
153.47139	0.4
157.50342	0.4
183.04436	0.5
207.06905	70.0
208.07233	3.0
231.01259	1.3
248.35982	0.4
295.64435	0.4
311.11722	40.3
312.12030	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	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98566	2.2
59.01248	100.0
68.98263	2.3
69.87424	11.0
71.01239	9.1
89.02290	3.5
98.19882	4.6
99.65308	2.3
101.02317	9.4
113.02287	2.6
161.04468	6.1
167.53534	2.3
251.11348	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.96713	1.6
57.03325	11.5
59.01248	9.7
69.03318	3.6
70.19242	5.2
71.01243	7.4
71.83503	1.7
74.75813	1.3
79.95609	8.6
80.02564	2.5
83.04921	4.9
95.04937	1.4
95.95102	1.6
96.95889	79.4
97.06444	1.8
101.02332	1.8
110.15012	1.4
111.08043	4.7
113.09582	8.1
122.97472	2.2
123.08015	1.6
125.09623	4.5
127.11210	2.8
128.36702	1.4
136.72034	1.8
137.09554	2.5
139.11192	1.8
149.09636	1.4
151.03912	3.2
151.07526	5.3
151.11180	22.8
152.08295	5.8
153.12782	2.1
155.10678	4.5
163.11227	3.4
165.12755	19.4
167.10709	3.3
171.10179	10.8
179.10669	5.3
181.12254	21.6
185.11800	8.6
191.10748	8.3
197.11768	4.1
209.11768	50.1
209.15356	8.0
211.13350	5.6
247.20621	6.8
252.10002	1.6
263.20178	4.9
265.21805	3.9
281.21243	4.4
289.88324	1.4
291.19656	22.9
309.17346	100.0
309.20731	28.5
310.17810	8.1
310.20782	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	0.7
59.01332	1.6
61.61782	0.6
70.55651	2.6
71.04959	0.8
81.03424	0.9
83.04968	0.7
95.05013	1.2
97.50872	0.7
98.03671	0.7
105.37158	0.8
106.04195	0.8
110.03730	0.7
111.08179	0.9
113.09740	0.8
123.04550	2.5
123.08202	1.2
125.09746	1.9
137.09737	1.7
139.11240	1.4
141.12968	0.6
142.02711	0.9
149.09726	1.0
151.03955	0.8
151.07716	2.7
151.11186	4.8
152.08403	1.7
153.09258	2.8
153.12799	1.2
155.10768	1.4
165.12787	1.7
166.13078	0.8
171.10294	1.6
177.12766	0.9
179.10796	1.0
181.12389	1.1
185.11900	1.1
193.12442	1.4
193.16051	0.9
195.13960	1.1
197.11952	1.4
200.10440	1.0
209.11897	2.9
209.15486	2.6
211.13641	0.8
221.11856	1.9
247.20651	9.9
248.20869	0.8
261.17877	0.8
265.17838	0.9
265.21765	2.2
266.22556	0.7
273.18588	1.2
291.19650	100.0
292.19983	9.1
309.17264	3.1
309.20673	59.9
310.21133	4.8
319.09680	0.7
330.92783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.2
71.05957	2.3
81.69180	1.1
86.37211	1.0
111.08024	2.7
118.36441	1.1
126.71758	1.1
127.11173	2.0
141.12651	1.0
147.56316	1.2
151.11159	1.8
152.08264	1.2
153.12727	4.1
155.10724	1.2
167.10609	2.4
179.14377	2.0
179.57117	1.0
180.19766	1.0
181.12334	2.7
193.15761	1.3
197.11757	2.4
199.13240	1.5
207.13921	2.6
209.15404	2.5
215.12747	2.0
227.12837	1.8
247.20695	7.3
260.74402	1.3
265.21780	1.3
273.18527	2.9
281.20950	1.7
291.19666	50.7
292.19965	3.6
309.20697	100.0
310.21039	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	309.207
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03323	0.9
59.01221	0.8
71.20674	1.1
75.70761	0.6
78.40691	0.7
97.06487	1.2
99.10630	0.7
99.77685	0.6
121.10107	1.0
123.08036	1.5
125.05906	0.6
125.09619	5.0
127.11168	1.3
137.09607	1.5
139.11150	1.3
141.09116	1.9
151.11259	0.8
153.09077	1.4
171.10164	2.7
183.13907	0.7
185.11746	1.2
199.09665	5.3
200.10535	5.7
201.11250	4.9
213.11218	0.7
247.20676	6.9
248.20897	0.9
263.20236	1.0
265.21838	1.8
273.18704	0.9
291.19635	13.2
292.20129	0.8
309.20691	100.0
310.21078	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.2
59.01249	3.1
67.01741	2.0
69.03312	2.2
70.80811	1.4
70.81161	3.3
71.04884	2.9
71.54410	1.1
79.06280	1.2
80.02537	12.4
81.03340	6.3
82.63343	1.1
83.04893	28.3
84.02042	11.7
95.04894	2.0
97.06469	3.6
98.20496	1.3
99.00686	1.4
99.08025	9.4
109.06499	2.5
110.03567	1.4
111.08005	2.1
113.09563	2.0
115.07487	5.5
115.08195	1.2
123.04398	2.9
125.09609	8.1
127.11221	7.6
135.08099	1.3
137.09621	46.8
138.09975	1.5
139.11148	9.7
148.05202	6.7
151.07506	4.9
151.11176	5.4
152.08302	3.2
153.09099	8.8
153.12735	3.2
154.09721	1.4
155.10680	51.8
156.11108	1.7
163.11162	1.8
165.12781	3.0
167.10701	5.8
169.12250	2.1
171.10179	51.2
172.10487	3.3
180.04196	12.3
193.12276	30.5
194.12506	1.7
195.13803	2.0
197.11684	1.4
209.11758	3.8
209.15361	4.8
211.13252	5.7
221.11688	1.4
247.20660	7.7
263.20154	6.6
265.18283	1.1
265.21725	7.5
273.18564	1.7
281.21201	2.5
291.19653	100.0
292.20013	6.3
309.17175	4.7
309.20663	91.6
310.21045	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22563	0.8
55.01745	1.0
57.03307	3.4
59.01240	3.9
67.75126	0.8
69.03304	1.6
69.23365	8.2
71.01249	1.4
71.04875	1.5
80.02563	1.5
81.03312	3.2
83.01254	7.8
83.04903	4.9
87.33963	0.9
95.04890	2.6
97.06477	5.1
98.03604	1.3
106.04121	0.9
109.06504	0.9
111.08043	2.4
114.42194	0.9
115.07568	1.0
123.04395	3.2
123.08064	4.4
125.05978	1.9
125.09614	11.6
127.11140	1.2
128.73181	0.8
135.08035	2.0
137.09586	1.9
139.11171	13.9
141.09111	1.4
151.07568	1.9
151.11247	1.4
152.08356	1.0
155.10681	1.4
162.10345	1.2
163.11208	7.3
165.12756	18.1
167.10657	4.7
168.43112	0.9
171.10162	2.1
179.14230	1.0
181.12253	3.7
183.13792	3.0
188.04182	0.9
191.10674	3.5
193.12282	1.5
193.15871	5.5
197.11685	1.6
207.10146	1.5
209.11760	51.4
209.15097	1.9
210.12122	2.7
211.13342	1.5
219.17339	0.9
225.11122	0.8
233.19115	0.9
247.20638	14.6
263.20132	1.0
265.21765	4.5
273.18677	4.2
281.21164	3.0
286.17542	0.9
291.19650	100.0
292.19989	7.6
309.17206	2.4
309.20667	35.4
310.20993	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.0
63.17532	1.3
69.03323	1.7
70.10336	3.9
77.34219	1.1
98.20430	1.6
111.08036	36.8
112.15516	1.1
125.09519	1.2
127.07571	1.6
153.12721	2.2
166.39069	1.4
169.12274	8.3
174.55302	1.1
181.12077	1.1
183.13860	2.2
197.11775	100.0
198.12167	3.1
199.13310	3.7
209.15335	3.4
211.13303	10.0
221.15445	1.1
227.12904	3.2
239.02916	1.2
251.16440	2.8
253.49416	1.1
263.20151	6.1
263.37842	1.3
265.18112	2.7
278.77930	1.2
291.19653	17.8
292.20029	1.2
309.20718	35.2
310.20813	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10118	0.7
57.03345	0.7
58.00481	1.8
59.01256	1.7
62.35004	0.7
69.03334	1.3
83.04944	1.0
93.06998	0.8
97.06504	1.0
98.20512	2.3
100.44437	0.6
109.06481	1.6
111.08038	30.3
127.07499	3.4
143.59442	0.7
151.11218	2.0
153.09100	1.0
153.12770	1.6
154.30278	0.7
169.12251	7.9
181.12286	2.5
183.13829	2.0
197.11760	100.0
198.12105	5.2
199.13316	2.2
211.13347	10.7
225.15012	0.9
227.12772	2.8
229.19688	0.9
238.81628	0.7
263.20166	6.8
265.18091	2.3
273.18448	1.9
291.19656	18.3
292.19949	1.0
309.20673	31.1
310.21014	2.2
310.94257	0.7
314.23114	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.0
59.01246	2.3
69.03308	4.9
70.69216	2.5
80.02540	1.5
83.04858	1.1
84.02052	0.8
97.02825	26.6
97.06440	1.3
99.00812	1.2
103.53715	0.9
111.08020	1.3
119.08521	1.5
121.10110	1.0
125.09623	3.3
127.11160	1.0
137.09601	4.2
149.76151	0.9
151.04001	1.2
151.07545	1.9
151.11140	1.1
152.08308	1.7
163.11140	4.4
165.09241	1.2
165.12766	13.7
167.10652	0.9
171.10187	13.2
177.12856	1.4
179.14326	2.1
181.12265	2.9
183.13847	2.3
193.12209	2.6
193.15868	2.4
207.10228	1.2
209.11757	5.8
209.15376	3.8
211.13249	3.0
220.75223	0.8
221.11591	1.0
223.13309	2.5
225.11206	1.3
227.12856	8.4
239.12770	1.1
247.20659	9.9
273.18591	5.8
291.19650	100.0
292.20062	8.5
309.17267	3.0
309.20673	54.1
310.20975	5.3
321.95807	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07577	0.8
69.77450	3.7
80.02503	0.8
97.02832	4.3
106.61543	0.7
120.99609	0.7
123.04362	1.7
123.07990	1.4
125.09584	0.9
137.09578	1.0
150.14769	0.8
151.11179	4.0
153.09175	0.9
171.10144	1.3
177.12761	0.8
183.13846	1.2
185.11720	1.3
191.62868	0.8
195.13747	3.7
211.13156	0.9
221.11801	3.6
221.15355	1.0
233.15495	1.3
239.12869	1.4
240.13478	1.0
247.20653	5.8
251.16470	3.2
273.18661	1.5
291.19653	100.0
292.19986	8.0
309.20709	51.0
310.20935	5.5
319.33774	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86192	0.8
57.03315	2.0
59.01228	1.0
67.52252	0.8
69.03317	1.4
70.09514	2.1
70.09908	1.6
80.02507	0.9
81.03365	0.8
83.04917	1.2
97.02824	4.6
99.00749	1.5
111.00729	0.8
111.08047	3.2
113.09611	1.0
123.08034	1.2
125.09609	2.7
137.09618	2.4
141.12782	0.9
151.03903	4.9
151.07568	6.4
152.08353	10.2
153.12779	1.3
162.10370	1.5
163.11174	6.0
165.09137	0.9
165.12743	8.8
167.10701	1.0
171.10173	5.4
174.94730	0.8
179.14296	2.0
181.12253	3.4
184.07367	2.3
185.11795	1.8
193.08385	0.8
193.15898	2.1
195.10231	1.8
197.11777	8.7
197.15422	0.9
207.10220	0.8
208.10991	1.3
209.11809	1.6
209.15425	13.6
211.13286	1.9
223.13327	3.4
233.15457	1.0
247.20641	9.8
251.16458	1.1
252.10017	2.4
265.18137	3.5
273.18585	2.7
291.19653	100.0
292.20026	10.5
309.17047	21.5
309.20697	91.9
310.17484	2.6
310.21014	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.0
59.01240	9.0
64.16126	1.1
64.65034	1.1
69.03310	4.4
70.90096	3.2
71.01265	1.8
71.04892	3.3
76.54859	1.2
83.04900	2.1
85.06427	1.3
95.04885	1.5
95.37791	1.1
97.02824	9.7
97.06427	2.5
101.02331	1.1
107.08549	2.0
111.08037	1.9
119.08518	4.0
121.06480	1.4
121.10107	1.7
125.09644	1.3
127.07489	1.3
129.09186	1.6
135.08072	1.7
137.09613	20.0
138.90500	1.0
151.07520	1.2
165.12764	1.9
167.10634	2.1
171.10185	33.2
172.10526	1.9
177.12628	1.2
181.12157	1.2
183.13835	1.9
184.17110	1.2
185.11723	1.7
195.13857	11.4
197.11700	2.3
201.11234	5.0
207.13898	1.6
207.17374	2.7
209.11873	1.5
211.13297	7.6
221.11967	1.3
221.15337	2.1
223.17000	9.4
233.15521	6.0
239.12660	1.6
247.20546	2.2
251.16499	36.5
252.16890	3.1
273.18494	3.6
291.19647	39.5
292.19907	3.5
309.20694	100.0
310.21094	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	309.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.7
64.96889	0.4
69.62118	0.3
71.01311	0.4
73.02851	0.4
74.76847	0.3
75.73675	0.3
79.95603	9.8
80.96379	1.2
94.97974	0.8
95.95097	2.3
96.95884	88.1
113.47775	0.3
116.23949	0.3
122.97460	2.5
151.03889	0.4
151.07501	0.9
152.08305	0.4
183.17424	0.4
197.11711	0.5
202.43987	0.3
209.15401	1.6
209.55421	0.3
252.09976	0.4
256.33649	0.4
291.19745	1.0
309.17392	100.0
310.17731	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21797	1.6
57.03306	2.6
59.01231	5.1
67.05408	1.8
69.03313	6.8
70.32850	7.2
71.04877	2.6
83.04900	2.6
85.60851	1.7
87.64302	1.9
90.43053	2.4
97.02795	1.8
97.06465	2.6
111.08030	13.6
119.08548	14.8
123.08037	2.1
125.09612	9.1
127.07510	2.3
135.08017	4.1
137.09618	31.6
151.03888	3.0
151.07553	5.3
151.11241	3.0
152.08282	4.3
153.09091	3.3
155.10698	6.1
162.10460	3.7
167.10664	5.5
169.12286	3.0
171.10181	100.0
172.10561	3.6
180.07837	1.9
181.12218	2.4
183.10168	4.9
183.13809	5.0
185.11754	27.2
197.11758	41.9
199.09595	2.1
201.11357	10.4
201.53363	1.8
204.18941	1.7
209.15349	7.0
211.13348	10.4
213.11200	8.2
216.96936	1.7
219.17517	3.8
225.14885	2.9
247.20583	4.0
251.16461	3.4
252.09865	1.8
263.20157	3.3
273.18561	11.7
274.18887	1.9
281.17511	2.1
291.19666	74.6
292.20087	4.5
309.17059	12.2
309.20691	58.7
310.17538	2.6
310.20993	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	307.2278
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
51.27626	0.7
59.01243	0.8
63.31620	0.7
70.53949	1.4
70.54360	1.6
70.67290	0.7
73.86329	0.8
76.99714	0.9
98.33872	0.7
134.44238	0.9
192.35065	0.8
307.22772	100.0
308.23148	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	309.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08973	0.4
52.47803	0.3
55.32257	0.4
59.01246	1.0
69.73560	2.3
71.01237	0.5
73.33418	0.4
132.01979	0.4
148.05200	60.3
149.05522	2.0
151.03876	0.5
151.07553	1.4
152.08333	1.6
165.05490	0.7
171.10133	0.6
179.01645	8.3
180.04201	100.0
181.04506	3.3
183.01126	0.7
197.02730	0.8
197.11845	0.7
209.15410	1.7
247.20764	0.5
257.15485	0.7
265.18484	0.6
265.21710	8.2
266.21964	0.7
291.19730	2.6
309.15442	5.4
309.20438	6.5
310.20999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03313	8.7
59.01252	11.4
68.40440	1.9
70.86194	7.3
71.01250	9.5
80.02529	2.4
83.04848	3.2
86.89132	1.9
95.04886	3.3
97.06473	17.8
109.06463	6.6
111.08081	9.9
123.04350	2.3
123.08020	3.0
125.09626	5.2
136.05127	2.0
137.02301	2.8
149.09576	5.9
151.11182	19.0
153.09087	3.4
155.10667	15.2
163.11226	4.1
165.12750	21.5
167.10619	4.6
169.12312	3.7
177.12692	2.8
179.10648	6.7
181.12271	25.4
191.10733	10.5
191.14281	8.8
195.10243	2.5
197.11835	3.3
205.12187	2.5
209.11777	48.3
211.13293	6.1
224.10435	3.6
226.11949	3.1
239.09250	2.6
245.19080	39.3
246.51889	2.1
263.20319	11.1
279.19650	6.0
284.18945	2.2
289.18076	51.7
290.18387	3.3
307.19125	100.0
308.19443	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.1
57.52728	0.9
59.01248	13.1
59.09294	0.9
69.03328	1.9
71.01226	2.2
71.04879	2.0
71.05680	1.4
71.06014	2.1
80.02538	2.7
81.03324	3.5
83.04892	3.0
95.04895	4.4
96.95890	1.8
97.02828	8.9
97.06458	4.4
106.04102	1.1
107.04975	1.1
109.06476	3.9
119.04919	1.4
121.06466	3.4
123.04403	6.3
123.08057	5.7
125.09591	1.4
137.09604	2.5
139.11168	3.5
142.02550	1.2
145.81247	0.9
148.08800	1.1
149.09589	4.5
151.07520	2.8
151.11191	8.2
153.09111	1.8
153.12796	2.1
163.11150	2.7
165.12778	5.2
168.94690	0.9
171.10179	1.3
177.12741	3.6
178.09828	1.2
185.11702	2.3
190.09937	1.2
191.14316	7.2
193.12280	1.2
199.13295	3.7
209.11739	9.2
210.12006	1.6
217.15846	3.2
221.11694	0.9
229.15889	1.3
233.15413	1.4
235.13446	1.7
238.11998	1.7
243.17674	1.0
245.19066	55.9
246.19389	4.0
265.17920	1.5
271.17032	2.3
289.18079	100.0
290.18488	9.0
307.10501	1.1
307.15628	1.9
307.19070	15.5
312.78665	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85789	2.6
57.03316	10.5
59.01245	12.0
59.03858	1.9
60.08297	2.3
63.45234	2.4
69.03316	3.2
69.56958	11.2
69.57365	6.6
71.01241	10.9
83.04870	7.6
95.04895	3.0
97.06484	17.3
98.20512	5.4
109.06465	5.4
111.08045	12.3
113.09624	2.8
123.04433	3.7
123.08018	4.9
125.09644	4.3
127.69552	2.3
137.09590	5.2
142.20432	2.3
143.45566	2.3
149.09627	3.9
151.11186	23.8
153.09103	6.9
153.12720	3.2
155.10706	13.1
162.03423	2.2
163.11189	8.4
165.12766	33.1
166.09850	2.9
167.10698	5.2
171.10191	7.3
177.12720	5.8
179.10678	9.8
181.12242	32.5
185.11699	7.1
191.10732	13.8
191.14342	7.5
197.11684	5.2
205.12175	3.1
207.44287	2.7
209.11772	61.9
211.13358	8.7
245.19109	38.6
250.83875	2.6
263.20053	12.4
271.16888	3.4
279.19687	6.4
289.18109	47.0
290.18304	3.6
307.19141	100.0
308.19528	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	307.1914
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.51312	1.0
53.76342	1.0
57.03311	4.2
59.01247	2.6
61.08610	1.0
68.21438	1.1
69.03321	1.0
69.86178	6.1
75.14694	1.1
79.13625	1.0
83.04902	1.4
85.14032	1.0
95.04936	1.7
97.02829	1.5
97.06449	1.2
98.20522	1.8
107.04935	1.2
107.08544	5.5
110.03576	1.5
119.08529	2.2
121.06443	2.9
123.04390	5.9
123.08054	11.2
125.09600	4.2
137.09637	1.9
139.11168	4.2
141.09151	1.0
142.02612	3.1
145.63266	1.0
149.06003	1.4
149.09627	1.9
151.07549	1.2
151.11185	3.8
155.14240	3.1
171.10173	2.2
177.12758	1.2
183.13945	1.3
199.09680	6.8
199.13341	25.4
200.10443	2.6
201.11397	1.2
209.15443	1.5
213.11284	2.5
217.15926	1.8
221.11775	1.8
233.15459	2.1
245.19072	12.9
246.29079	1.2
247.16878	1.7
263.20151	2.8
271.17068	2.3
279.19714	1.5
289.18109	69.5
290.18436	6.3
307.19150	100.0
308.19547	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37431	1.5
55.27135	1.5
56.06236	1.7
56.16267	1.2
57.03318	7.0
59.01249	5.6
69.03322	2.7
70.63187	3.9
76.46301	2.0
80.02535	1.6
81.03334	7.2
83.01258	7.7
83.04908	3.2
95.04892	3.5
95.50115	1.6
97.02835	7.8
97.06458	10.4
109.06481	3.2
110.03657	2.0
114.58608	1.7
115.78767	1.5
119.08549	1.7
121.06502	2.7
123.04409	11.9
123.08067	3.7
125.09619	21.0
134.90170	1.5
135.08014	3.7
137.05966	2.7
137.09602	15.1
141.12747	2.7
149.09563	1.8
151.11176	2.5
161.09641	2.4
163.07576	3.8
163.11188	18.7
165.09135	1.5
165.12712	4.6
171.10187	2.1
172.94815	1.5
179.10669	2.3
181.12175	3.5
185.11734	24.0
191.10641	3.9
191.14326	23.8
206.32005	1.9
207.10202	10.4
209.11752	33.6
210.12231	1.6
217.15942	2.9
225.11279	11.0
226.11960	2.0
245.19066	49.2
246.19342	3.3
247.17169	2.0
251.13002	1.9
263.20139	2.8
271.17059	5.5
289.18094	100.0
290.18317	8.5
307.19144	53.3
308.19577	4.8
311.27176	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57507	0.3
51.20657	0.4
57.03308	0.6
59.01243	2.7
69.03314	0.5
71.04888	4.8
71.05764	0.8
77.49543	0.5
80.02534	1.0
81.03316	1.7
83.04890	1.4
93.03316	0.4
95.04912	1.4
97.02789	0.5
98.03617	1.6
106.04134	0.7
107.04915	1.1
109.06471	13.7
111.04408	6.5
111.08044	1.3
112.05212	0.6
121.06471	0.5
123.04424	0.4
123.08041	1.4
124.25976	0.5
127.07549	3.8
129.09105	0.5
129.64581	0.3
135.08105	0.6
135.11815	0.5
137.05957	0.6
137.09589	1.2
141.09119	0.4
143.10652	1.7
145.06502	1.8
149.05981	0.6
149.09613	1.1
151.11226	0.8
163.11166	0.6
167.10658	2.0
177.12811	0.5
179.10680	1.4
181.12347	0.6
191.14394	0.8
195.13799	3.3
235.13312	2.0
243.17311	0.4
245.19078	6.0
249.14911	0.8
251.16490	1.3
261.18704	0.5
271.17072	1.4
273.14941	0.6
287.16537	2.3
289.18082	100.0
290.18436	7.3
307.19119	11.0
308.19470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51815	0.2
57.35270	0.2
59.01252	2.6
59.16833	0.2
69.65828	0.7
69.66236	0.5
71.01241	1.2
78.46941	0.2
79.95621	0.6
81.95175	1.1
85.02827	0.2
89.02328	1.2
92.53329	0.2
96.95892	32.7
97.95815	2.0
98.20496	0.4
98.95476	100.0
98.96284	17.1
99.08033	1.2
101.02325	0.7
102.66786	0.2
113.02306	0.6
119.03381	0.6
127.07559	0.3
128.52179	0.2
129.09164	0.2
145.08623	3.4
187.68906	0.2
250.52310	0.2
298.30936	0.2
307.10437	31.9
307.14114	1.6
308.10712	1.9
318.04532	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	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01759	1.3
56.23853	1.0
57.03305	4.7
59.01247	2.7
65.03828	14.4
69.03323	1.5
70.44730	2.1
70.45109	2.5
71.04893	10.7
76.98027	1.1
78.55268	1.1
78.88905	1.1
79.05398	2.0
80.02537	2.1
83.04889	6.1
93.03332	24.1
95.04930	1.2
97.06466	22.3
106.04116	3.4
109.06445	2.2
111.04411	3.1
117.06995	19.5
118.07282	1.2
119.04903	3.5
119.08547	34.5
120.05685	3.6
120.08852	1.2
120.80278	1.1
121.06480	23.2
123.08024	3.0
125.09603	25.8
126.17654	1.1
127.11094	1.4
133.06470	5.0
135.08054	100.0
136.08377	2.8
137.09612	3.2
149.05878	1.1
171.10176	77.3
172.10507	2.4
185.11742	22.0
191.14275	1.7
199.74094	1.0
209.11740	15.3
211.13362	6.7
227.17935	2.0
233.15388	1.3
235.13348	21.7
236.13765	1.3
245.18982	3.6
249.14886	2.7
252.13617	1.3
261.18402	1.8
271.16995	3.5
279.19577	7.6
289.18091	66.9
290.18500	6.6
292.47437	1.3
307.19107	37.4
308.19434	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65857	0.5
59.01244	0.8
60.97396	1.9
69.69436	0.5
71.01271	0.6
71.23930	0.5
72.70280	0.5
73.98180	3.6
74.98970	100.0
75.99265	0.7
80.03113	0.5
83.26674	0.6
87.00753	0.5
89.17300	0.6
92.76559	0.5
96.95895	7.3
98.95472	9.7
98.96304	1.3
105.66463	0.6
113.78187	0.6
120.99526	1.8
135.04393	0.9
136.99039	66.0
137.99388	1.1
141.68779	0.5
143.22769	0.5
147.46695	0.6
156.81046	0.6
157.06773	0.6
218.81804	0.5
219.12122	0.8
259.23969	0.5
307.10257	9.1
313.59869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
59.01250	1.5
64.35198	0.7
71.01259	1.2
71.57087	0.8
74.98952	4.7
91.02074	2.6
93.00002	4.0
130.40248	0.7
141.79037	0.7
149.00856	3.0
159.08363	6.4
161.06282	2.0
193.00858	0.8
202.23566	0.6
206.99542	1.4
209.01157	3.2
223.02776	51.1
224.02765	3.8
241.03915	2.2
245.19044	2.5
263.19995	0.9
289.07568	2.3
289.18042	4.2
291.09091	100.0
292.09216	9.2
307.12085	2.3
307.19269	8.2
307.22748	1.3
309.10056	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97917	0.6
57.16366	0.3
60.97400	1.4
63.96116	0.5
69.42599	1.3
69.43018	1.0
72.97398	0.3
72.99170	0.5
73.13564	0.3
73.98184	3.7
74.98970	100.0
75.98911	0.4
75.99302	0.8
79.35445	0.3
80.56731	0.3
87.00756	0.4
96.95892	2.4
109.02894	0.4
132.92343	0.3
135.04462	0.5
136.99040	62.4
137.05988	1.2
137.99379	0.6
148.79680	0.3
157.06865	0.4
179.03429	0.3
185.11809	0.3
193.74367	0.3
204.48756	0.3
219.10471	0.4
220.10764	0.3
283.80249	0.3
307.08191	0.5
307.11826	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	307.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.0
60.86179	1.8
71.01237	1.7
71.58054	3.3
72.04417	28.1
75.77676	1.5
83.72256	1.6
85.02778	1.9
86.06861	1.5
87.05517	18.1
88.03915	17.0
91.05403	9.8
96.95874	14.6
97.03954	3.9
97.06448	1.9
98.02366	1.9
99.05533	4.6
100.03921	100.0
101.04281	1.8
114.01844	2.0
115.05022	76.3
118.06525	3.0
119.04871	2.2
125.89364	1.6
134.03644	24.2
135.04424	6.9
144.02921	41.6
147.04419	4.8
164.07074	2.3
174.05515	2.3
176.07126	13.7
178.02626	4.6
187.07503	2.2
189.06601	2.1
194.90324	1.7
201.10239	9.4
219.11485	2.4
220.06088	3.8
235.10843	40.5
236.11086	2.4
245.09218	17.2
261.08716	4.6
263.10281	9.6
263.12732	2.0
275.09412	3.3
289.08231	2.9
307.08603	3.1
307.12436	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	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.4
62.99783	0.2
69.69785	0.5
69.70197	0.7
71.01246	0.4
71.40832	0.2
71.42730	0.2
71.95046	0.2
74.98965	0.6
79.95601	1.5
96.95889	100.0
97.95831	0.8
98.19826	0.3
98.95469	14.4
98.96295	2.7
100.95361	0.5
100.95911	1.5
100.96517	0.2
101.02322	0.2
103.72341	0.2
114.02058	0.2
119.04039	0.4
119.04912	8.0
120.05260	0.3
121.02869	0.4
135.04408	0.3
136.36476	0.2
136.98994	0.3
163.03917	6.9
164.04225	0.3
179.03453	0.3
186.90091	0.2
201.67215	0.2
219.10596	0.3
227.12959	0.3
227.17485	0.2
261.44531	0.2
307.09518	2.0
307.12256	36.7
308.09164	0.3
308.12527	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03309	2.5
59.01253	16.0
64.69670	1.5
70.24105	1.5
71.01239	2.2
71.04889	26.7
71.56979	1.8
80.02563	1.9
81.03322	4.9
86.14585	1.6
93.03346	2.6
95.04909	11.0
96.95885	4.1
97.06508	2.0
109.06481	12.7
119.04939	3.5
121.06496	3.9
122.03635	2.3
125.06010	2.2
125.09614	4.1
135.08055	16.4
141.01602	6.1
149.06030	1.9
160.84135	1.8
161.05960	3.5
165.09082	12.2
165.83151	1.5
185.11725	4.8
187.76675	1.7
189.12791	11.6
205.15932	6.3
218.00983	1.6
233.11876	5.2
243.17603	11.6
244.17953	1.9
249.14948	9.2
261.18646	2.4
269.15472	2.0
287.16516	66.5
288.16922	5.5
305.08127	3.0
305.17596	100.0
306.17856	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03311	0.9
59.01250	13.9
69.03332	1.3
69.22222	1.1
70.09309	1.9
70.09724	3.1
71.04890	42.0
81.03345	2.8
83.04906	1.4
93.03321	2.6
95.04900	18.6
96.95905	3.3
97.02806	1.3
97.06444	1.2
106.04102	2.4
107.04918	1.9
109.06472	15.9
111.04396	2.5
119.04912	1.6
121.02689	0.8
121.06508	5.0
121.07205	0.9
122.03577	0.9
123.04421	1.3
123.07989	0.9
127.07533	2.2
133.06482	1.1
135.08037	2.9
137.13068	0.9
139.07574	1.6
141.01576	4.6
147.04408	2.8
147.08044	3.4
149.06003	2.1
150.06763	3.2
153.09108	1.2
161.05998	3.4
161.09610	2.1
164.08342	1.5
165.09103	14.5
168.13870	2.0
169.14120	1.9
173.06035	1.0
175.07549	1.1
189.12755	14.2
205.15910	9.4
212.34969	1.1
231.13820	1.7
233.11763	8.0
243.17485	11.5
245.15372	1.9
249.14937	12.7
250.15247	1.1
261.18655	2.3
263.16681	1.2
269.15524	2.0
287.16519	82.2
288.16891	6.3
305.17575	100.0
306.17957	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	305.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
69.99419	0.6
69.99776	1.4
71.01244	0.4
74.90694	0.3
79.95603	3.8
80.96397	0.7
95.95108	2.1
96.95889	100.0
98.20490	0.5
98.95461	1.4
98.96286	0.4
133.02881	0.4
143.04530	0.5
200.72260	0.2
226.90475	0.3
231.15970	0.7
305.10641	39.6
306.10947	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	305.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52965	0.2
56.79781	0.2
59.01257	0.3
69.47549	1.1
69.47961	0.4
79.95592	2.2
92.73030	0.2
93.03323	0.2
95.95103	1.2
96.95886	100.0
97.95866	0.4
98.95464	3.9
98.96286	0.8
105.03331	0.3
122.97452	0.2
133.02859	2.0
134.03625	0.6
135.04402	0.6
137.02336	0.4
139.03932	0.4
139.57501	0.2
161.02319	0.3
177.01860	0.5
178.02576	1.1
179.03383	0.3
287.16620	0.2
305.10629	40.2
306.07465	0.7
306.10904	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	305.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62681	0.3
53.72485	0.3
68.34054	0.3
69.69927	2.1
75.08741	0.4
79.95619	1.1
88.11679	0.3
96.95884	100.0
116.84184	0.3
129.12523	0.3
143.23573	0.3
192.35995	0.3
305.10629	31.9
306.11047	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	305.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60396	0.1
69.95526	0.6
79.95607	1.7
96.95888	100.0
97.95798	0.2
103.97142	0.1
194.27675	0.1
305.10629	14.7
306.10861	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	305.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51139	0.1
70.30206	0.6
70.37632	0.1
79.95605	1.0
96.95886	100.0
97.95820	0.3
98.19912	0.2
111.66999	0.1
125.50586	0.1
175.75778	0.1
187.56677	0.1
254.07698	0.2
256.45142	0.2
261.07971	0.3
305.10626	64.0
306.10971	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	305.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.2
64.31977	0.1
66.69049	0.1
70.97905	0.4
71.01247	0.2
79.95603	1.6
88.60461	0.2
91.48563	0.2
96.95887	100.0
97.95821	0.3
98.95467	4.6
98.96288	1.0
121.73065	0.2
132.91754	0.2
171.68669	0.2
194.10060	0.2
305.10651	39.0
306.10999	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	304.228
Annotation	Samandarine
Peak:m/z	Relative Intensity
50.51426	0.4
59.01233	2.0
71.57305	0.4
86.05984	38.3
88.08095	0.5
96.95905	1.2
108.66177	0.5
130.04956	1.7
141.01570	1.0
157.93173	0.6
168.13850	1.0
193.65044	0.5
212.21770	0.5
262.21771	1.7
303.27295	0.5
304.22809	100.0
305.23196	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	305.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07395	0.2
56.09931	0.2
58.84890	0.2
59.01234	0.8
64.29604	0.2
65.79504	0.2
67.05635	0.2
69.47581	0.3
69.47991	1.5
69.87234	0.2
70.27177	0.2
71.01251	1.1
73.02809	0.5
79.76968	0.2
79.95606	2.2
80.96393	0.2
85.02835	0.5
89.02356	0.3
95.95121	0.6
96.95891	100.0
97.95815	0.5
98.95473	8.7
98.96288	1.5
101.02330	0.6
113.02309	0.3
146.17233	0.2
161.04465	0.3
243.06885	0.2
274.76129	0.2
305.10712	47.0
306.11020	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	303.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22521	0.6
56.21173	0.5
57.03322	1.1
59.01250	23.2
68.95320	0.6
69.96066	2.8
70.36318	0.7
71.01248	2.6
72.99184	0.8
79.95614	1.4
81.35248	0.6
85.92489	0.6
89.02311	1.5
94.02818	0.7
94.06493	0.9
96.04446	1.5
96.95889	100.0
97.06474	1.2
100.11282	0.6
106.06473	0.7
107.03651	2.9
108.04432	15.0
113.77827	0.6
117.01811	0.9
121.05190	1.5
121.06450	0.7
122.06006	55.3
123.06318	0.9
124.07570	37.3
125.07941	0.9
134.05974	1.8
136.07576	74.9
137.07884	3.3
139.11163	0.6
139.25317	0.6
142.99751	2.1
149.05974	0.8
150.81837	0.6
161.07089	1.0
167.05746	4.8
167.06931	0.9
167.10657	1.7
168.06572	62.2
169.06879	2.4
180.06599	8.3
185.11774	11.5
186.12103	0.7
188.10703	1.8
204.10213	0.9
215.08182	0.9
216.13892	6.0
221.93242	0.6
225.07761	0.8
228.08974	1.8
229.10704	1.8
230.10590	2.4
231.11378	3.5
241.13603	1.4
242.11794	1.0
243.11342	6.7
244.11934	1.1
259.14545	6.3
285.12433	2.8
303.09106	15.9
303.13550	45.7
304.09271	1.1
304.13843	2.1
320.37994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	44.4
59.01233	0.5
59.03180	0.5
64.20859	0.3
70.59052	0.8
70.59455	0.7
72.23540	0.3
75.14226	0.3
78.65107	0.3
79.51183	0.3
80.50566	0.3
82.05795	0.3
87.94379	0.3
88.44975	0.3
117.53649	0.3
141.50502	0.3
168.13855	100.0
169.14223	3.7
212.12848	3.4
224.11185	0.3
241.91951	0.3
304.19199	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	303.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	22.7
63.18505	0.7
69.03327	0.6
69.78517	1.6
69.78936	2.3
71.01257	1.8
72.99166	0.8
79.05383	0.9
79.95610	1.7
84.04430	1.3
89.02321	0.8
94.06499	1.3
96.04428	1.5
96.95888	100.0
107.03667	2.7
108.04430	15.7
120.04418	0.7
121.05208	2.9
122.06005	61.3
123.06341	1.9
124.07571	39.5
125.07848	1.4
130.08699	0.8
134.06033	1.0
136.07578	77.3
137.07912	2.5
142.99768	1.1
148.07619	1.2
150.05524	1.0
161.07050	0.9
167.05750	4.6
167.10669	1.0
168.06570	81.0
169.06900	1.6
169.29695	0.6
171.10265	0.7
172.07573	0.9
173.07051	0.8
180.06589	10.6
185.11757	8.7
188.10826	1.5
188.76575	0.6
215.08205	1.4
216.13879	5.8
229.10611	0.6
230.10588	3.2
231.11368	3.8
241.13503	0.9
242.11798	1.0
243.11388	7.2
259.14539	7.7
260.14975	0.9
285.12415	2.4
303.09161	18.3
303.13562	56.0
304.09836	0.9
304.13892	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	303.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96696	0.2
61.59397	0.2
69.65112	0.8
69.65521	0.4
74.76373	0.2
79.95605	1.5
85.50033	0.1
86.82295	0.2
96.95886	100.0
97.13116	0.1
97.95828	0.3
106.27174	0.2
116.84695	0.2
139.73340	0.2
289.08133	0.2
303.09055	27.3
304.09421	1.3
308.83536	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	303.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	0.1
59.01252	0.2
69.40478	0.4
69.40900	0.5
74.25624	0.1
74.27983	0.1
79.95614	1.5
80.96403	0.1
85.29535	0.1
96.95888	100.0
97.95824	0.2
108.18605	0.1
123.61925	0.1
130.08626	0.5
173.62646	0.1
185.11673	0.2
205.12329	0.1
223.13345	4.2
224.13701	0.1
303.09064	13.7
304.09335	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	303.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25691	0.3
69.84201	0.2
75.52427	0.2
79.95618	1.0
96.95889	100.0
100.49419	0.2
205.35643	0.2
303.09064	13.1
304.09402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1596
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
54.93199	0.4
59.01255	0.5
66.89969	0.4
70.23362	0.9
70.23738	1.3
91.83431	0.4
98.20119	0.9
123.00780	1.0
138.03122	0.9
139.03845	0.6
148.63976	0.3
159.77782	0.4
168.48792	0.4
199.51900	0.4
217.07179	1.3
285.13339	0.6
286.13589	1.7
299.14441	0.5
300.99872	1.9
301.15964	100.0
302.16315	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	301.1658
Annotation	Viridamine
Peak:m/z	Relative Intensity
52.62518	0.5
63.39607	0.5
69.93507	3.0
71.07742	0.5
90.21981	0.6
102.69122	0.5
126.98808	0.6
134.99309	5.1
136.97217	1.9
141.07352	1.0
141.92520	0.5
150.98770	0.6
157.18570	0.5
159.08386	1.1
161.06329	6.1
201.04135	0.5
203.05544	3.3
205.03458	1.1
215.05632	0.8
217.07149	74.8
218.07307	3.7
283.11896	0.7
285.13477	33.4
286.13638	3.0
301.16589	100.0
302.16772	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	302.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29767	34.1
65.96093	31.8
70.70193	100.0
75.83573	27.3
83.64756	30.6
104.09797	31.4
113.72803	29.0
159.63411	30.1
171.16948	31.9
187.71956	34.4
228.66243	30.7
303.14151	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	299.2015
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
54.57358	0.2
59.01247	1.5
59.30453	0.2
69.72375	0.2
70.44504	0.3
70.44857	0.8
71.26552	0.2
74.94510	0.2
76.94955	0.2
91.58818	0.2
98.19937	0.2
99.92449	0.2
105.19134	0.2
106.17437	0.2
174.99146	0.4
176.30322	0.2
196.97568	0.3
217.00302	1.6
228.64078	0.2
299.20135	100.0
300.20474	9.9
301.66971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0717
Annotation	Aromadendrin 4'-methyl ether
Peak:m/z	Relative Intensity
51.51039	0.6
59.01234	2.7
63.02272	8.6
65.00191	16.5
67.42314	0.8
71.58438	1.4
79.78314	0.7
80.02536	1.7
83.01255	9.5
93.03297	1.1
96.95892	1.7
107.01267	26.5
108.02065	13.0
123.00728	2.3
123.04419	3.7
124.01574	1.3
125.02292	1.4
134.03638	38.6
135.04413	0.9
136.01582	8.9
143.51300	0.9
149.05989	23.9
151.00281	51.2
152.00685	1.2
164.01100	9.8
165.01884	4.0
169.01323	5.8
171.10175	1.0
174.03169	1.9
177.01881	7.2
196.00082	9.5
199.04012	0.9
201.01881	1.9
209.11710	1.1
242.05832	1.1
242.10571	0.9
285.04102	1.1
286.04852	2.2
301.00174	3.8
301.07169	100.0
301.20172	2.4
302.07455	9.9
302.10742	1.1
302.17099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.8
63.36591	0.3
66.35925	0.4
69.30500	1.4
69.30934	1.6
71.24704	0.4
73.02820	1.2
79.20831	0.3
80.04932	2.3
86.12916	0.3
94.06506	0.7
96.08064	0.7
96.95912	0.8
97.01608	0.5
106.06506	5.6
108.04436	23.7
120.04466	0.8
121.05233	2.7
122.06030	1.6
124.07577	11.4
136.07584	47.1
137.07909	1.3
140.07045	0.5
150.05527	3.0
150.09142	0.4
165.04282	0.4
165.69774	0.4
168.06590	1.6
168.38368	0.4
194.04585	0.4
201.07928	0.3
207.13843	0.8
213.13939	0.9
214.12335	1.2
224.09570	0.8
225.14891	1.0
227.08057	0.8
227.12836	2.2
228.09036	0.9
239.11841	1.4
241.09833	0.5
242.10611	1.8
257.12933	100.0
258.13257	5.7
283.15414	1.7
300.99734	0.5
301.11914	7.5
301.17078	1.9
301.20258	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	299.1864
Annotation	Achaetolide
Peak:m/z	Relative Intensity
55.01731	0.5
57.03316	2.5
58.00448	0.4
59.01250	5.0
62.95803	0.4
69.03313	1.6
69.35371	1.1
69.35773	3.6
71.01241	2.2
71.04899	1.3
72.99176	0.6
73.02825	0.5
79.95580	0.7
80.02539	0.5
81.03318	0.7
83.04890	1.7
84.02022	1.0
85.02818	4.5
85.91943	0.4
93.03359	0.6
95.01297	0.5
95.04903	3.6
96.95908	0.7
97.02837	3.0
97.06467	12.8
99.00762	3.1
99.08023	4.7
106.04094	0.6
109.02792	0.6
109.06474	2.6
110.03612	2.0
111.04395	0.7
111.08041	1.0
121.06457	1.3
123.04430	0.6
123.08064	0.8
125.06010	0.7
125.09624	3.9
127.11168	2.3
135.04437	0.4
135.08023	1.5
136.05214	0.6
137.02237	0.8
137.05980	0.6
137.09592	2.7
139.07550	1.2
139.11177	4.8
142.02628	1.2
143.07037	7.7
147.08034	0.7
149.09630	5.6
150.05566	0.5
153.09061	0.7
155.10687	5.6
157.08591	1.8
161.09572	0.5
163.11201	3.5
164.19888	0.5
165.09073	1.8
165.12744	0.6
167.10661	1.0
169.08571	1.1
171.10255	0.7
181.08588	2.0
181.12251	6.4
183.10188	23.4
184.10535	1.0
189.09123	0.9
193.08690	3.0
199.09758	0.7
201.11243	16.6
202.11575	1.0
207.10201	21.8
207.12184	1.1
208.10530	0.8
211.09644	2.0
217.00200	0.8
219.17506	1.3
225.11275	36.5
226.11612	1.9
230.35838	0.5
263.16479	4.6
271.02429	1.7
281.17694	2.1
282.17737	0.4
299.01926	0.9
299.15021	8.7
299.18588	100.0
300.18994	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	299.0771
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
54.24927	0.4
59.01235	1.3
70.98081	0.6
70.98428	0.5
71.01250	2.6
73.02834	0.6
75.22515	0.4
81.32565	0.3
85.02822	1.4
89.02303	0.4
93.03330	51.8
93.66713	0.3
94.03653	1.4
96.95893	0.6
97.93398	0.3
98.30365	0.3
101.02322	1.5
110.62340	0.3
113.02294	0.5
130.52373	0.3
137.02335	100.0
138.02684	3.3
138.05486	0.6
150.00179	0.3
159.43669	0.3
191.62595	0.4
299.07697	0.6
299.25940	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	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
52.33562	0.3
59.01246	5.2
62.64611	0.3
65.22133	0.3
68.20962	0.3
71.01249	2.1
71.28664	0.4
71.29026	0.7
73.02816	0.4
81.97894	0.3
85.02842	0.5
89.02308	2.4
101.02320	1.4
113.02327	1.0
119.03366	0.9
126.46212	0.3
135.06509	0.8
135.40063	0.3
143.03305	0.3
143.19688	0.3
161.04489	0.7
172.88580	0.4
179.05455	0.3
183.01123	4.9
184.01859	0.5
216.00777	0.4
237.09671	0.3
251.23766	1.2
279.23251	0.9
295.22726	0.7
297.12082	1.1
297.15320	10.3
297.24329	100.0
298.15668	1.1
298.24658	7.6
309.79031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
52.91713	0.3
59.01245	1.6
60.00456	0.3
67.21399	0.3
70.92001	1.1
71.01257	1.0
89.02341	0.9
101.02377	0.4
113.09623	1.8
127.11179	0.5
152.12811	0.4
178.53952	0.4
179.05490	0.4
183.01137	1.9
183.13814	6.9
185.11772	0.8
279.23288	9.6
295.22745	1.2
297.15338	4.6
297.24341	100.0
298.12125	0.4
298.15546	0.7
298.24725	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	297.2432
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01240	3.5
70.81419	0.4
71.01231	1.2
73.15697	0.4
76.77840	0.4
85.02824	0.4
88.02909	0.4
89.02287	0.9
101.02311	0.7
102.56012	0.4
119.03397	0.4
135.06477	0.5
141.12767	0.6
165.94753	0.4
183.01108	3.3
185.11754	9.6
186.12048	0.6
188.72900	0.4
214.28958	0.4
229.47379	0.4
238.25307	0.4
261.22296	0.4
279.23273	16.1
280.23572	1.3
295.22800	0.8
297.15274	6.0
297.24335	100.0
298.15677	0.8
298.24661	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	299.0195
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
61.34959	0.3
63.02265	5.1
64.89488	0.3
65.00204	3.2
67.51707	0.3
69.31175	3.2
73.43365	0.3
79.21114	0.3
80.99970	0.3
83.01248	1.7
83.30255	0.3
86.67428	0.3
89.00200	0.8
91.01789	0.6
98.19830	0.7
107.01268	3.9
108.02064	1.2
109.02827	5.3
115.05407	0.8
117.03309	0.6
119.01311	0.5
119.04871	0.3
131.04927	0.8
133.02846	8.4
133.99992	0.3
135.00769	2.1
141.03279	0.3
142.43816	0.3
143.04926	4.0
145.02847	1.2
147.00768	0.7
147.04413	1.1
148.01556	1.0
149.02429	0.3
151.00285	3.0
153.03481	0.3
155.04938	1.2
157.02855	2.1
159.04340	0.9
161.02295	0.8
163.00269	0.8
163.03850	0.5
164.00955	0.4
169.02884	0.5
170.03654	0.8
171.04440	7.0
172.04781	0.4
173.02319	2.2
175.03905	4.4
182.03619	0.7
183.04378	1.4
185.02306	0.4
185.47255	0.3
187.03941	3.9
189.01888	0.5
189.05487	0.8
190.99747	0.4
197.02385	1.8
198.03172	2.2
199.03947	14.7
200.04317	0.5
201.01833	5.2
202.02359	0.4
203.03485	1.6
211.04004	0.8
213.01901	1.2
214.02682	1.0
215.03438	7.0
225.01801	0.7
226.02690	3.7
227.03433	8.5
228.03717	0.5
229.01328	0.6
241.01401	0.4
242.02184	2.2
243.02946	11.2
254.02220	0.5
255.02948	9.5
271.02463	95.7
272.02850	5.1
282.01697	1.2
299.01947	100.0
300.02618	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	297.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.0
57.03320	2.0
58.00462	3.5
59.01249	100.0
60.01590	1.0
68.72031	0.9
70.33562	0.9
70.40154	1.7
70.40560	2.1
70.41800	1.0
71.01252	47.3
72.99180	4.1
73.02811	5.9
83.01260	3.8
85.02824	14.8
87.00739	3.2
89.02314	48.9
90.02654	1.6
93.85665	0.8
95.01259	3.1
99.00758	1.9
100.86769	0.8
101.02319	28.9
113.02331	18.7
119.03387	19.2
131.03383	2.3
135.06519	15.0
143.03397	4.9
149.27603	1.1
161.04449	10.6
172.93741	1.1
179.05547	13.5
187.26721	0.8
237.09831	6.5
295.44833	0.9
297.11902	26.1
297.24323	3.3
298.12354	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	297.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94122	2.7
55.86961	2.7
58.00454	3.3
59.00946	5.6
59.01249	100.0
64.97059	2.7
71.01251	55.3
71.01614	4.6
71.10992	2.6
71.56014	2.7
71.56403	4.1
72.99191	5.6
73.02821	6.4
78.38711	3.4
83.01273	4.4
85.02812	16.2
86.00088	3.0
89.02316	67.3
96.95885	9.0
97.89561	3.6
101.02322	43.9
105.01756	2.9
113.02344	19.4
119.03398	29.4
124.53742	3.8
133.10501	2.9
135.04399	39.3
135.06575	22.5
143.03378	5.5
161.04462	15.9
163.26393	3.2
179.05504	15.6
181.91121	3.4
184.44435	3.0
237.09744	5.0
265.01886	3.1
297.08740	6.0
297.11914	37.9
297.21289	3.2
297.24146	16.4
298.06418	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	296.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56919	1.1
53.38793	1.5
55.45448	1.4
58.00433	1.7
59.01248	28.8
65.43880	1.2
68.02390	2.6
71.01249	19.2
71.57052	2.2
73.02821	3.8
78.38181	1.3
79.87511	1.7
85.02806	7.9
87.88374	1.3
89.02310	22.2
89.03399	1.3
92.04929	2.4
96.95869	2.8
101.02325	10.8
113.02322	1.9
116.04904	3.7
127.65405	1.5
130.06526	3.1
131.03563	1.8
132.08067	3.5
134.05962	2.3
144.04448	100.0
145.04773	3.4
146.05956	7.4
151.99222	4.0
158.06021	34.1
167.01610	6.6
170.06007	4.3
172.03964	3.4
172.07617	13.5
174.05507	18.9
174.36729	1.4
176.07065	7.4
182.06035	3.9
186.05463	3.9
188.07079	5.4
189.04214	1.8
200.07089	27.1
204.06593	4.2
206.08150	3.0
212.07205	1.8
218.08118	3.1
230.08153	5.0
296.11362	95.8
297.11658	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	295.2275
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
69.03303	1.2
98.19800	1.4
117.32345	0.6
133.00201	0.7
139.11200	3.4
155.10652	5.5
166.26967	0.8
171.10170	5.7
183.10179	54.5
184.10493	1.3
229.23123	0.6
250.76860	0.6
277.21719	11.7
278.22031	1.0
288.17346	0.8
295.22769	100.0
296.23074	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
52.69165	0.4
57.03329	0.6
59.01254	3.3
64.24659	0.3
67.63888	0.3
68.02407	17.3
69.02098	1.9
69.02717	2.4
70.86679	1.2
71.01259	1.0
73.02835	0.4
89.02309	0.5
98.95461	0.9
101.02296	0.7
103.40778	0.4
107.93137	0.4
111.08038	0.7
112.15382	0.4
120.15911	0.4
127.11152	1.7
139.11128	0.7
150.94313	0.4
165.12753	2.2
171.10132	0.5
183.10236	1.2
195.13983	0.4
199.13324	0.5
213.13507	0.4
251.23814	0.9
277.21719	0.7
282.63760	0.4
295.22766	100.0
296.23145	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.18007	0.6
57.03315	1.7
59.01256	5.1
68.02406	25.0
69.02100	1.8
69.02739	3.8
71.01242	2.0
71.05524	1.1
71.05853	1.0
73.02824	0.9
82.19697	0.6
89.02307	0.7
98.95490	3.2
101.02335	1.1
129.32463	0.6
132.71758	0.6
137.09598	1.2
139.11192	0.9
155.14336	4.8
171.10164	19.2
179.27008	0.6
183.10246	2.9
195.13759	4.0
213.18529	0.8
251.23697	2.2
252.10625	0.6
253.09029	0.7
274.62869	0.6
277.21713	29.8
278.22034	1.8
295.17453	3.0
295.22769	100.0
296.23151	7.4
314.53235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03307	0.5
59.01244	1.4
65.21701	0.4
69.29046	4.1
69.29444	0.6
71.01237	0.6
73.90687	0.4
83.04906	0.6
85.38945	0.4
91.25528	0.4
113.09579	2.8
120.81089	0.4
174.33929	0.4
179.14323	1.3
181.12181	0.6
195.13838	19.4
196.14229	0.6
211.61940	0.5
250.47417	0.4
277.21707	21.8
278.22028	1.0
295.22772	100.0
296.23126	7.8
307.86624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.8
59.78131	0.2
68.02409	8.4
69.02112	0.8
69.02730	1.3
71.01232	0.2
71.57977	0.3
73.02849	0.2
76.11074	0.2
79.95591	1.3
85.02801	0.3
96.95889	100.0
97.95838	0.3
99.08024	0.9
101.02331	0.3
134.05986	0.4
169.15883	0.8
197.15462	0.3
215.16466	11.0
216.16866	0.5
236.04803	0.2
295.12204	51.2
296.12515	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	295.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92730	0.2
59.01236	0.3
65.66071	0.2
68.02390	0.9
69.15672	0.2
79.95606	1.1
96.95888	100.0
99.08018	1.2
131.59514	0.2
133.55363	0.2
169.15836	0.9
197.15465	0.6
213.14931	0.2
215.16466	11.1
216.16769	0.5
295.12201	52.8
296.12567	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	295.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24348	0.4
55.22418	0.6
59.01249	10.2
68.02412	7.5
69.02753	0.8
71.01248	1.4
79.95604	26.8
82.26498	0.5
83.94363	0.5
85.02827	0.7
87.00774	0.6
87.04388	100.0
88.04718	1.7
89.02308	1.1
93.03346	0.9
94.89962	0.5
95.95097	5.9
96.95888	14.3
98.20635	1.0
101.02312	0.6
133.04959	0.9
135.72224	0.5
141.95663	2.4
146.03625	1.8
164.01469	0.6
167.00192	0.8
183.13821	4.3
195.13840	4.8
207.06900	89.4
208.07217	2.7
213.14902	33.8
214.15201	1.5
223.13202	0.6
230.34402	0.5
235.13063	0.9
237.70941	0.6
251.07079	1.6
252.07790	1.0
267.06726	0.6
267.12155	1.3
277.18036	0.7
279.12128	0.8
295.12170	74.2
295.14792	3.4
296.12433	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	295.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.5
68.02411	16.4
69.02126	1.7
69.02738	4.3
70.80323	3.7
89.74572	1.5
93.03339	2.9
96.31716	1.6
96.95881	5.0
121.02846	100.0
122.03175	4.2
129.65388	1.5
154.75987	1.8
158.21817	1.5
161.05966	2.2
173.04437	2.7
186.02449	1.4
193.76512	1.6
261.80316	1.7
293.02359	1.9
295.08270	4.3
295.12909	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	295.1088
Annotation	Chandrananimycin C
Peak:m/z	Relative Intensity
51.44597	0.1
51.54505	0.1
56.01668	0.1
59.01230	0.1
64.01793	0.3
68.02399	0.3
74.58642	0.1
77.03841	0.4
80.04918	0.2
83.43904	0.1
92.04933	0.4
94.06493	0.2
96.95885	0.1
103.04150	0.4
104.04413	0.1
104.04934	4.9
106.06500	10.2
106.88019	0.1
107.06847	0.3
108.04420	0.2
116.04941	0.2
120.04424	0.1
122.06013	0.5
130.06522	2.7
132.04436	0.3
132.61000	0.1
134.06007	52.7
135.06339	1.8
145.05193	0.2
145.07625	0.3
147.03165	0.3
148.03938	28.1
149.04292	1.0
158.06052	0.2
160.03938	13.2
161.04733	3.4
162.05467	0.3
164.03336	0.1
172.03958	0.4
173.04794	0.4
174.05510	17.0
175.02663	0.3
175.05869	0.8
176.03479	0.2
182.08556	0.2
185.29698	0.1
192.02921	0.4
193.03716	1.9
193.07613	0.4
195.09268	0.2
198.09294	0.1
207.09274	0.7
208.09927	0.3
221.10835	0.3
223.12271	0.8
225.10248	0.8
226.05234	0.1
226.08475	0.1
229.16078	0.1
235.08604	0.5
236.09521	0.2
237.06648	3.2
238.06927	0.3
239.08191	0.4
249.06784	0.2
249.10266	0.3
251.08223	4.2
251.11781	0.4
252.08983	1.8
253.09511	0.2
265.06161	1.9
265.09772	0.6
266.10590	1.2
267.11365	16.9
268.11655	1.3
277.06494	0.1
277.09549	0.2
279.07761	2.9
280.08435	2.1
281.08859	0.2
293.09384	0.4
294.10199	0.8
295.10846	100.0
296.11154	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1186
Annotation	Amotin
Peak:m/z	Relative Intensity
57.03320	10.8
59.01234	12.3
63.25994	3.2
63.88638	3.8
68.02398	16.1
69.02737	6.8
69.03318	6.2
71.56978	7.9
79.95600	6.1
83.04909	9.0
85.02802	8.1
89.02268	4.5
93.03320	4.5
95.04901	32.0
96.95882	38.5
98.03592	4.0
98.95480	7.0
109.02861	5.4
111.04390	20.8
111.08017	4.8
113.02280	6.2
113.05956	29.4
115.03933	4.0
121.06450	14.0
123.07999	9.1
135.04472	5.1
137.09598	4.0
139.07562	8.8
149.09615	5.3
165.09138	7.5
171.11729	8.8
173.04459	4.9
173.09532	3.9
189.12784	100.0
190.13148	5.2
207.13889	11.9
243.40622	3.7
251.12869	94.2
251.15512	4.5
252.13174	8.2
295.08594	10.9
295.11801	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97110	0.4
56.10688	0.4
57.03313	1.1
57.53747	0.4
59.01237	1.1
62.79285	0.3
68.02411	7.4
69.02749	0.4
69.28799	0.4
70.64165	1.2
71.01252	0.4
77.56076	0.4
79.52460	0.3
80.02551	0.3
88.98602	0.4
105.92363	0.3
105.95784	0.4
109.06441	0.6
110.80431	0.4
113.09604	1.1
137.09624	5.6
138.10004	0.4
139.07545	1.6
139.11147	0.6
145.76082	0.4
153.12766	3.9
155.10651	0.8
155.14240	0.4
163.11127	0.4
249.22231	2.7
275.19952	0.8
293.21219	100.0
294.21536	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.7
68.02404	32.5
69.02106	1.6
69.02730	1.9
69.30936	0.4
69.51549	0.4
70.32414	0.6
70.32819	1.1
83.04866	0.5
97.06458	1.0
101.19518	0.4
104.75801	0.5
119.21040	0.4
123.08007	0.9
125.09603	4.4
128.67586	0.4
141.12733	1.3
149.09602	2.1
153.08577	0.6
177.12680	0.5
183.13802	0.9
185.11722	10.1
195.13730	0.5
197.11801	2.6
200.56001	0.5
203.79880	0.4
221.15419	0.5
223.13339	0.5
249.22108	1.0
275.20151	1.5
293.21194	100.0
294.21564	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.5
57.03321	1.0
59.01237	1.8
59.09976	0.5
60.99135	0.6
67.01764	4.2
68.02406	2.8
69.03323	1.1
69.55672	0.5
71.01271	3.3
81.03336	0.9
83.04903	1.3
83.51529	0.5
85.02859	1.0
87.00730	0.6
93.03336	25.8
95.04890	0.6
96.95873	3.4
98.95491	0.6
109.02864	0.7
111.00733	0.7
111.04411	4.9
113.02359	1.1
113.05912	0.6
114.21159	0.5
121.02840	24.2
122.03154	1.2
135.04425	0.6
137.02328	3.6
151.56956	0.5
155.03416	4.6
173.04466	100.0
174.04820	2.4
197.37125	0.6
229.14450	0.6
239.73134	0.6
251.12895	0.8
295.08447	3.0
295.11679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54469	1.2
53.46320	1.3
57.03326	1.8
59.01249	3.8
68.02415	6.7
70.92040	3.7
73.72095	1.3
109.06463	1.5
121.10119	46.6
125.09563	3.4
171.10176	74.4
172.10486	2.9
183.10211	4.1
183.13800	11.7
185.11765	4.7
211.13316	2.8
231.21124	6.0
275.20148	100.0
276.20535	7.3
286.87079	1.3
293.21222	83.2
294.21545	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82119	0.5
52.63260	0.6
59.01246	0.8
63.85961	0.5
68.02390	1.8
69.26404	2.2
69.26823	3.7
71.17707	0.5
85.55495	0.6
111.08046	0.6
112.50264	0.6
134.70071	0.6
151.07176	0.6
173.10655	0.6
179.14388	1.9
195.13824	15.2
196.14497	1.7
205.12346	0.7
205.95146	0.6
211.13330	1.3
223.13333	14.2
224.13855	0.9
228.13663	1.7
231.21143	1.1
256.13165	4.7
265.21786	1.3
275.20145	10.1
293.21216	100.0
294.21536	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	5.8
59.01237	2.9
59.05060	0.5
68.02402	4.2
69.32592	5.1
95.04936	0.5
95.46337	0.4
97.06465	1.1
113.09606	21.3
121.10120	0.6
125.09583	0.6
139.11201	2.6
141.09180	0.5
149.09634	0.8
167.10704	1.9
171.10181	1.1
177.12761	1.3
179.10667	2.0
195.13882	2.8
249.22282	2.0
275.20065	2.3
285.50266	0.6
293.21219	100.0
294.21512	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
59.01241	2.6
61.87807	0.4
61.98706	0.4
65.27393	0.3
68.02409	39.7
69.02107	1.3
69.02742	2.8
69.03325	0.5
69.91081	1.3
71.01241	1.7
71.04893	0.4
78.46482	0.4
83.12497	0.3
85.02870	0.4
89.02328	0.8
98.19852	0.6
101.02287	0.6
110.58591	0.4
110.96594	0.4
111.08072	0.9
113.09646	0.8
121.10091	0.5
123.08044	0.4
131.03354	0.4
131.52080	0.3
136.08824	2.5
141.09016	0.3
150.84059	0.4
152.08206	0.5
152.91566	0.5
161.04555	0.5
163.11174	0.7
167.10658	0.7
171.10127	0.5
177.09099	0.5
177.12665	0.5
179.05421	0.4
179.14325	1.3
183.13821	0.6
192.11418	1.9
193.12082	0.5
193.15901	4.9
194.92711	0.5
195.13837	14.4
196.14363	0.6
205.12291	1.2
205.15878	0.6
211.13245	0.7
220.14580	3.1
221.15410	7.0
223.13327	9.0
224.13828	0.6
228.13615	1.4
231.21083	0.7
236.00620	0.4
236.10440	3.5
249.18599	1.7
249.22159	0.9
256.13132	4.3
265.21625	1.1
275.20175	9.1
276.20572	1.2
293.08704	1.3
293.21198	100.0
294.18274	0.6
294.21530	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83583	0.6
57.03310	0.8
59.01252	5.2
61.98645	0.8
68.02410	68.4
68.10493	0.5
69.02106	2.3
69.02738	4.8
69.29385	5.9
71.01263	3.5
78.22952	0.6
83.04903	0.9
85.02818	0.7
89.02297	1.4
98.19828	1.2
101.02309	0.9
113.09595	0.8
114.21378	0.7
123.07989	1.3
126.99453	0.7
128.99167	1.0
134.08528	0.6
136.08826	1.3
139.11186	1.0
151.11136	2.2
152.08165	0.9
152.91577	0.7
169.12215	2.3
177.09024	0.8
192.11470	0.8
193.15915	1.7
197.11763	32.8
198.12054	2.1
201.21678	0.5
220.14594	3.7
221.15413	7.3
231.21140	0.9
235.13542	0.6
236.10445	5.2
249.18555	0.9
249.22235	1.3
275.20145	18.2
276.20499	1.5
293.08887	1.6
293.21207	100.0
294.21527	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	293.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11221	0.3
68.02409	7.9
69.02732	0.7
70.46707	1.1
71.01251	7.8
77.77608	0.3
127.07528	0.9
148.05174	1.3
151.07498	0.7
164.08327	1.5
177.09119	5.8
178.09380	0.4
192.11478	7.2
192.13225	0.4
193.12073	0.7
205.10315	0.4
205.12273	7.6
206.12508	0.4
207.13799	1.2
217.08469	0.3
218.09454	1.7
220.14622	47.6
221.15402	100.0
222.15739	6.1
235.13358	1.1
236.10492	73.7
237.10876	4.3
293.14279	0.4
293.17599	6.4
293.20816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39871	2.4
58.00451	5.2
59.01248	100.0
65.82542	2.4
68.02409	82.3
69.02118	3.6
69.02738	6.0
71.01254	64.1
71.52507	4.1
72.99186	7.4
73.02812	3.7
83.01293	4.1
85.02842	14.6
85.03277	2.3
87.00783	3.5
89.02321	80.4
95.01250	3.0
96.95898	2.7
98.20461	2.7
101.02319	45.2
113.02325	24.4
119.03384	51.2
129.29660	2.5
131.03395	4.6
131.07021	6.0
143.03433	3.1
149.04430	3.8
179.05511	3.2
190.64352	2.8
214.59769	2.5
293.12430	70.8
294.12640	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.7
57.03324	0.8
58.00452	1.9
59.01250	28.1
60.17631	0.5
68.02408	17.7
69.02122	0.6
69.02733	1.9
69.93601	1.5
69.94019	0.9
71.01250	18.2
72.99165	1.5
73.02814	1.2
80.89744	0.5
83.01239	1.7
85.02824	6.1
85.06460	15.0
87.00740	0.9
89.02310	17.6
95.01250	1.6
96.95874	2.4
99.07980	0.5
101.02320	13.0
108.18300	0.5
113.02322	5.5
113.05949	2.4
115.07518	1.7
119.03388	8.3
127.07534	1.5
131.07033	56.0
132.07362	1.7
133.62662	0.4
143.03363	0.6
147.02826	0.6
156.45200	0.5
161.04451	1.2
173.08057	1.3
179.05484	1.1
194.25127	0.5
205.78578	0.5
251.85173	0.5
293.12411	100.0
294.12750	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	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.52026	0.3
59.01253	0.8
68.02409	64.2
70.81865	0.7
73.02818	56.4
74.03163	0.6
81.40344	0.3
104.52824	0.4
107.40410	0.4
119.04913	0.6
121.02785	0.6
126.99412	1.8
152.08188	1.1
155.52971	0.4
178.01552	0.4
229.42786	0.4
244.51295	0.4
254.82462	0.4
269.11655	0.4
273.18839	0.3
291.19653	100.0
292.19995	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	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01746	0.6
59.01036	0.4
59.01250	4.7
62.27724	0.5
68.02409	64.7
71.04894	32.3
71.05291	1.4
79.01640	0.5
83.04877	0.7
94.80579	0.6
97.06470	9.4
111.08055	1.0
119.04916	1.3
121.02840	1.0
121.10072	0.7
123.08006	0.8
126.99463	1.3
133.06497	0.8
137.09590	0.5
139.11111	0.8
152.08141	1.0
162.08075	0.5
163.03946	0.8
163.11020	0.8
163.14832	0.6
175.14920	0.6
181.12262	2.5
195.13809	1.0
207.13834	3.5
209.04616	0.6
219.13855	4.2
235.16937	3.8
247.20639	2.5
273.18637	1.4
274.25394	0.5
289.52850	0.5
291.19647	100.0
292.19965	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	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
57.03320	6.3
58.00447	1.2
58.00730	0.4
59.01245	2.3
61.61918	0.4
68.02406	39.9
69.03330	0.6
69.26089	0.4
70.32838	1.0
70.33231	0.7
71.04877	0.8
72.05628	0.4
73.02821	3.7
81.84947	0.4
83.04899	0.9
84.02039	0.9
85.02814	0.6
91.74478	0.4
95.04932	0.4
97.06467	0.7
107.08539	7.7
108.16463	0.4
109.06432	0.8
111.08028	1.0
119.04900	0.7
121.02837	0.4
121.10119	0.8
125.05953	0.7
125.09615	5.2
126.99475	1.3
127.80497	0.4
139.07535	1.0
139.11195	4.7
151.11180	1.4
152.08139	0.6
153.09164	0.7
155.14343	0.8
163.03989	0.7
163.11223	1.0
165.09131	0.7
165.12724	0.8
175.11246	0.6
181.12247	1.0
183.10185	0.5
185.11786	0.4
191.14304	0.5
199.13321	3.8
211.13414	0.4
223.13391	0.8
247.20624	2.5
255.21281	0.8
261.22293	0.6
263.23810	1.5
273.18643	1.8
273.22253	3.0
291.19687	100.0
291.23203	13.9
292.20013	9.7
292.23669	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28699	0.3
59.01256	0.4
68.02409	17.2
71.30193	0.3
95.04898	0.5
106.04150	0.3
107.10152	0.3
119.04900	0.8
125.05930	0.4
126.99442	0.4
132.38921	0.3
148.08888	1.6
150.10359	1.2
151.11131	0.5
163.11189	1.1
163.20212	0.3
165.12767	22.4
166.13129	1.2
175.11209	0.7
176.11961	0.9
177.12767	0.7
179.14299	0.4
207.26891	0.3
245.19087	0.5
247.20619	10.6
247.83334	0.4
248.20963	1.0
273.18555	6.7
274.18884	0.7
291.19647	100.0
292.19989	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67945	0.5
57.03312	2.8
59.01244	1.0
63.08026	0.5
64.22456	0.5
68.02407	55.6
71.03255	0.6
71.03580	0.7
83.04884	0.7
93.06982	0.9
97.06487	2.8
101.57762	0.5
110.64845	0.5
113.09605	5.5
121.10111	17.9
122.10443	0.7
123.08022	2.1
125.09595	7.7
126.99441	1.8
139.11157	2.3
140.20747	0.5
141.12740	1.8
147.08008	0.8
152.08281	0.7
163.11246	0.8
165.12775	1.1
185.11748	15.9
186.12039	0.7
197.11731	3.4
209.11696	1.6
211.13326	2.1
223.13284	0.8
237.73146	0.5
247.13396	0.9
247.20624	3.3
273.18597	2.8
275.96384	0.6
291.19638	100.0
292.19925	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19302	0.2
57.03337	0.5
59.01245	2.6
68.02407	55.5
71.01266	0.3
71.15325	0.3
80.02558	0.8
81.03330	0.8
81.50364	0.3
83.04893	0.3
93.03351	0.4
95.04893	0.5
97.06486	0.5
109.06474	1.1
119.04922	1.6
121.02836	1.5
126.99448	1.4
127.07585	0.5
132.98087	0.3
139.07538	0.7
145.02856	0.4
148.08852	0.7
149.09639	0.5
151.11185	4.4
152.08199	0.8
153.12735	1.7
156.13846	11.5
163.03896	1.1
163.11191	0.6
165.12729	1.7
166.95520	0.2
175.11270	1.4
176.11978	0.5
177.12755	1.2
179.14363	1.1
191.14319	0.3
193.15924	0.9
200.12865	0.5
203.14304	0.9
209.04436	1.1
218.66202	0.3
219.17532	0.6
223.13382	0.3
229.19615	0.4
237.14841	0.4
247.20642	6.5
248.20935	0.5
263.20132	0.3
273.18671	2.2
291.19653	100.0
292.20001	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	291.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57835	0.5
68.02036	0.8
68.02409	13.9
69.92611	2.9
85.02828	1.0
92.95344	0.5
96.95894	6.6
98.19816	0.7
116.13130	0.5
117.03338	1.2
119.04914	82.0
120.05254	2.4
145.02840	4.8
151.04559	0.5
163.03920	100.0
164.04251	4.3
183.32619	0.5
273.07797	1.2
291.05490	1.2
291.08762	11.9
292.09045	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	291.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55222	0.4
59.01256	1.3
66.63582	0.4
68.02410	70.8
71.01263	0.5
93.03314	0.9
96.95265	0.8
96.95891	14.9
110.68549	0.5
110.81745	0.4
119.04899	1.4
120.99545	100.0
121.99866	1.2
126.99468	2.5
128.77512	0.4
133.02840	0.5
134.71703	0.5
139.11177	0.8
148.36243	0.4
152.08192	1.0
163.03906	1.5
273.03937	0.9
291.09091	3.4
291.12592	1.3
291.19656	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	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
59.01248	2.3
69.49992	1.5
69.50413	0.8
71.01279	0.3
74.04150	0.3
80.02557	1.5
81.03337	0.5
83.04906	0.8
95.04901	1.1
97.06460	0.7
98.20671	0.2
106.04134	1.8
107.04897	0.8
109.06470	11.7
111.08035	2.3
119.04910	0.4
119.08612	0.3
120.05689	0.6
121.02959	0.3
121.06512	0.7
123.08039	2.3
133.06444	0.3
133.10132	0.5
135.08041	0.8
135.11697	0.3
137.09587	1.2
141.09128	0.3
143.10640	2.4
145.06476	4.2
149.09637	1.9
151.11148	1.1
159.08112	0.4
161.09621	0.5
163.11186	1.0
167.10658	1.8
173.09750	0.2
177.09171	0.6
177.12788	0.4
179.10641	0.8
181.12230	0.8
191.14316	0.3
193.77692	0.3
211.52762	0.2
215.14349	0.7
217.16109	0.3
222.84644	0.3
243.17435	0.4
245.19052	6.6
245.21571	0.3
246.19437	0.6
261.18558	0.4
271.17029	1.7
273.14896	1.0
287.16504	3.5
288.16833	0.4
289.18076	100.0
290.18430	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	289.1115
Annotation	Rotoxamine
Peak:m/z	Relative Intensity
52.68970	0.1
54.65411	0.1
69.31174	0.3
69.31596	0.9
73.59435	0.1
79.95611	1.1
96.95889	100.0
97.95830	0.3
112.50201	0.2
145.92140	0.1
215.96341	0.1
234.27243	0.1
289.11148	28.4
290.11417	1.4
296.41483	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	289.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45094	0.1
79.95601	1.3
81.57834	0.1
96.95889	100.0
97.95844	0.3
98.95486	0.5
98.96307	0.1
180.37218	0.1
226.28101	0.1
280.03778	0.1
289.11148	22.7
290.11508	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	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.77533	0.3
54.10892	0.3
57.84237	0.3
58.02829	0.3
59.01250	2.9
65.03833	0.5
69.59086	2.0
81.03316	1.3
92.04921	1.1
93.03333	1.3
98.19758	0.7
100.30957	0.4
107.03667	0.5
108.02072	0.5
108.04426	5.0
109.02845	5.3
119.08549	2.2
121.02824	0.6
124.01492	0.6
124.53338	0.3
125.09635	0.4
134.02374	37.3
135.03171	9.8
136.03941	39.5
137.02330	2.0
137.04259	1.3
148.03964	0.9
149.04678	1.0
176.03432	4.4
181.03784	0.4
190.04924	0.4
192.04147	0.9
229.47791	0.3
238.87982	0.3
244.04858	0.3
245.18799	0.3
260.16364	0.4
288.16046	100.0
289.16431	6.2
289.18112	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	287.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11346	0.1
63.78519	0.1
64.15325	0.1
70.00984	0.8
79.95602	1.1
93.41307	0.1
96.95889	100.0
97.95844	0.3
98.19814	0.3
163.21036	0.1
181.67383	0.1
287.09586	9.3
288.09982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44555	1.0
71.66223	0.1
79.95593	1.0
86.86835	0.1
96.95888	100.0
97.95824	0.3
137.13794	0.1
143.53075	0.1
258.92810	0.1
287.09583	12.0
288.09897	0.7
297.94504	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	287.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95607	0.8
96.95888	100.0
97.95830	0.2
158.07109	0.1
179.76955	0.1
229.40839	0.1
264.47794	0.1
287.09576	13.1
288.09866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72137	0.2
67.88090	0.3
69.48348	1.7
69.48751	0.3
79.26650	0.3
79.95622	1.2
89.99391	0.2
96.95889	100.0
98.19825	0.5
124.47663	0.3
142.08760	0.3
153.71384	0.3
157.35089	0.3
287.09613	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
57.99868	0.3
58.53756	0.3
59.01243	0.9
70.00956	1.4
70.02831	1.0
74.05978	2.0
74.87421	0.3
98.02352	0.4
117.06969	3.9
118.04990	0.9
125.02307	0.3
125.09615	0.5
146.28006	0.3
178.91632	0.3
199.64986	0.3
219.59898	0.3
240.23302	3.8
242.21141	1.1
243.17641	0.4
268.22769	0.5
270.60803	0.3
284.22394	0.5
286.23859	100.0
287.16412	2.3
287.24265	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
64.56567	0.6
70.59464	0.8
70.59830	2.5
78.44582	0.7
207.88396	0.9
279.23282	100.0
280.23627	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	281.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98386	0.2
59.01233	1.6
64.37601	0.2
66.15530	0.3
70.97938	0.5
71.01266	0.5
71.29625	0.2
73.02792	0.3
74.50428	0.3
74.73791	0.2
79.95584	1.3
83.04915	0.3
85.02794	0.3
85.06466	0.6
87.48022	0.2
89.02265	0.3
93.03339	1.5
96.95889	100.0
97.95850	0.3
99.08029	0.6
99.20612	0.2
109.32174	0.3
126.23476	0.2
133.02866	0.2
138.70480	0.2
149.04172	0.4
155.14305	0.9
172.05167	0.3
172.08083	0.4
173.04460	1.0
175.53432	0.3
183.13872	0.5
191.05528	0.6
199.13309	0.3
199.20744	0.2
201.14882	11.2
202.15314	0.5
211.13329	0.4
281.10626	50.9
282.10883	2.2
283.13281	0.6
301.14346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
57.71606	0.2
59.01245	0.9
70.03604	0.2
70.64547	0.7
96.95891	2.0
136.29001	0.3
198.03604	0.2
237.94392	0.2
261.22275	0.6
279.23276	100.0
280.23618	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	279.2325
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.72595	0.4
59.01245	1.7
69.86990	0.9
69.87408	2.6
71.01244	1.1
96.95899	1.0
100.43678	0.4
108.91328	0.5
139.00089	0.6
153.75497	0.5
219.02954	0.5
261.22308	0.6
279.20047	3.4
279.23264	100.0
280.23584	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	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.19373	0.3
54.52782	0.3
59.01239	1.2
71.01250	0.5
71.33914	0.6
71.56256	0.3
75.47471	0.3
86.09058	0.3
113.88087	0.3
119.11015	0.3
127.07529	0.3
210.53378	0.3
233.22644	0.6
259.20581	0.9
275.20160	0.6
277.21704	100.0
278.22061	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	279.1082
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
57.03329	4.7
59.01252	75.2
71.01259	36.1
71.04890	6.0
71.56184	3.5
72.99178	4.6
83.76810	3.0
85.02839	7.9
87.00731	6.2
89.02318	38.0
95.01275	6.2
96.88202	3.9
96.95905	8.0
99.04417	17.4
101.02326	30.9
103.91910	9.5
110.02323	5.4
111.01891	9.9
113.02315	15.2
115.00247	4.9
117.05466	64.1
119.03393	16.4
122.89301	25.0
137.52115	3.2
142.99751	3.6
165.40701	3.2
243.06082	18.2
279.10861	100.0
280.11285	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01253	1.7
61.97471	0.2
71.01244	0.6
83.04873	0.2
97.63314	0.2
124.74328	0.2
127.07532	0.4
139.55614	0.2
186.20914	0.2
200.53857	0.2
233.22757	0.6
259.20605	0.4
275.20175	0.5
277.21710	100.0
278.22058	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39124	0.2
59.01248	4.3
71.01245	0.6
71.05812	0.4
80.26834	0.2
83.04866	0.3
85.10155	0.2
121.02782	0.3
127.07529	0.4
134.03630	0.2
152.91661	0.3
179.55087	0.2
194.92735	0.7
194.95456	0.3
195.31120	0.2
205.15868	0.8
205.19423	0.2
233.19067	0.2
233.22681	0.9
259.20657	0.5
275.20105	0.5
277.18427	5.2
277.21686	100.0
278.18637	0.4
278.22043	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	276.9179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22101	1.4
53.88646	1.4
58.93332	1.4
64.79143	1.4
69.24254	1.4
69.97295	5.8
72.80145	1.5
74.48268	1.4
79.36576	1.4
96.95877	12.8
97.97529	1.4
98.19860	1.7
136.93898	81.9
137.93980	4.1
150.21304	1.4
216.89621	100.0
217.89642	7.7
217.95976	1.9
218.89748	1.6
232.44431	1.6
234.90691	81.9
235.90759	5.6
276.91809	3.1
277.21689	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70507	0.7
58.02849	12.4
59.01250	1.4
68.27092	0.6
69.66857	3.0
69.67274	1.7
71.01263	1.4
71.47326	1.0
71.96934	0.8
74.02345	2.1
87.02625	2.6
96.03990	0.8
96.95885	4.4
97.03956	1.0
99.05516	17.6
101.04200	0.8
103.61758	0.7
113.03541	0.8
116.01656	3.6
131.05243	1.1
133.04323	3.4
133.06824	39.6
134.07195	0.7
143.04523	100.0
144.04865	2.2
276.56534	1.5
277.03897	1.2
277.07455	1.8
277.12268	27.3
277.21744	7.0
278.12531	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	275.2015
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
59.01244	8.9
71.12511	0.6
71.12855	1.3
83.04865	0.8
105.64701	0.6
125.17889	0.5
129.56343	0.5
139.61862	0.6
147.02095	0.5
152.76906	0.5
157.18372	0.6
177.16370	2.4
203.17715	0.6
231.17653	0.8
231.21141	10.9
232.21504	1.1
247.30743	0.6
247.40108	0.6
257.19095	1.3
272.23569	0.6
275.20135	100.0
276.20496	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	276.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.4
65.94061	0.3
71.57000	0.6
76.99921	0.4
85.02823	1.0
88.68150	0.3
105.05765	0.5
119.07273	0.6
121.02850	0.4
132.08093	0.7
134.09645	37.2
135.09993	1.4
148.11230	0.5
152.91643	2.1
161.08318	1.0
162.83826	0.7
172.11143	0.6
175.09944	1.2
190.12291	100.0
191.12666	5.3
194.92719	3.0
202.12456	0.4
212.93874	0.6
241.45938	0.3
276.16019	15.0
277.16531	0.5
277.21695	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	275.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02840	0.2
59.01249	0.4
71.01248	1.0
71.57983	0.3
78.30014	0.2
79.95601	1.4
80.84587	0.2
96.95885	100.0
97.95825	0.3
105.03345	0.3
113.08343	0.2
116.06178	0.2
131.07016	1.0
133.02849	1.1
134.03609	1.6
135.04366	0.6
137.04416	0.2
146.04556	0.2
173.05974	0.3
178.02657	0.2
179.19792	0.2
187.07578	1.4
201.11237	0.6
202.06267	0.4
203.10638	0.4
231.10164	2.0
232.10529	0.2
273.71643	0.2
275.09549	38.9
276.09897	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	275.0925
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
59.01259	1.7
68.82371	0.9
69.03361	0.9
69.47536	2.0
69.47940	4.1
71.04907	1.0
73.02845	0.7
77.03847	0.9
79.95616	1.1
83.07881	0.8
89.03871	1.6
93.03345	1.2
95.04929	3.0
96.95885	9.1
97.06475	2.2
105.03336	9.9
106.04142	0.9
117.03382	3.8
123.04401	2.4
125.09552	1.0
130.04118	0.8
133.02844	18.3
134.03633	47.4
135.04451	11.2
135.08066	1.1
136.71864	0.8
137.02377	1.8
145.02852	2.4
146.03622	1.4
149.02390	1.3
151.07562	1.2
151.11206	0.8
153.09059	2.0
158.03682	2.4
159.04424	4.4
161.02347	4.7
162.03127	19.9
163.03755	1.0
163.82684	0.7
172.05217	10.1
173.06010	8.1
174.06592	1.0
177.01884	0.9
178.02609	2.5
180.06581	4.9
187.04053	6.0
187.07570	100.0
188.07957	6.3
201.05479	9.9
202.06284	20.2
203.06714	1.3
203.10736	1.7
204.04121	1.9
213.09128	2.7
213.11179	1.8
216.07727	0.9
231.10223	53.7
232.10561	2.9
250.81296	0.8
257.10031	0.8
275.06238	1.9
275.09216	46.8
276.03271	1.2
276.09570	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	273.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79126	0.4
57.03321	0.7
59.01236	1.2
60.25607	0.4
71.01259	1.4
71.04879	0.8
71.42035	0.4
71.58654	0.8
73.20455	0.4
81.03335	0.8
81.35739	0.4
83.01254	4.3
83.04895	0.6
83.11631	0.4
84.02036	2.6
93.03333	1.1
97.02799	0.6
97.06461	0.6
99.08039	1.4
109.02855	0.8
111.08077	0.6
115.07524	0.4
125.09608	3.9
127.11176	1.4
129.09111	1.0
135.08032	0.5
139.11157	0.8
163.11180	1.8
165.12778	1.2
171.10185	3.6
173.04498	0.6
181.12241	0.7
182.13052	1.0
191.10754	2.8
207.10158	0.5
209.11786	4.2
211.13275	0.5
223.13338	1.2
226.12021	1.6
241.14458	2.3
243.16026	1.1
255.16029	1.3
258.60175	0.8
273.17059	100.0
274.17355	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	275.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13447	0.1
59.01253	0.2
71.57161	0.2
79.95596	1.9
80.96404	0.3
82.29939	0.2
83.04884	0.1
96.95886	100.0
97.95833	0.2
111.08028	0.2
139.07549	1.3
148.13106	0.1
151.11139	0.2
158.03587	0.1
159.04395	0.2
187.07605	0.2
195.10289	0.1
203.08209	0.3
231.10236	0.2
272.51416	0.2
275.05939	67.0
276.06244	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	275.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78066	0.2
55.95683	0.2
59.01237	0.3
66.63666	0.2
67.83301	0.3
79.95192	0.4
79.95569	1.3
81.70794	0.3
88.17343	0.2
96.95888	100.0
97.95827	0.4
121.75240	0.3
132.36334	0.3
137.70566	0.3
159.04379	0.4
173.06071	0.4
182.53743	0.3
187.07635	0.8
244.26543	0.2
275.05948	56.3
276.06326	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	275.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57239	0.4
78.18944	0.2
79.95605	22.7
80.96384	1.3
95.04914	0.4
95.50509	0.2
95.95120	0.6
96.95892	15.2
107.31428	0.2
109.96684	0.3
110.97471	3.6
137.05936	0.6
141.95708	1.4
165.09119	15.6
166.09460	0.9
187.07588	0.3
195.10204	1.0
201.11252	0.5
260.03561	0.4
275.05939	100.0
276.06235	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
60.43458	0.6
65.72794	0.5
100.64632	0.5
108.02052	1.2
109.02853	1.2
111.15023	0.5
125.02339	1.7
125.66088	0.5
130.21489	0.5
146.40239	0.5
152.76408	0.5
211.20583	1.9
217.79398	0.6
225.22168	1.3
253.21651	1.5
269.21213	1.2
271.22772	100.0
272.23138	8.9
277.71951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23996	1.3
61.85674	1.7
70.89400	2.5
70.89742	2.8
78.95770	16.8
87.65924	1.5
89.30112	1.9
90.08194	1.6
97.82102	1.5
102.65659	1.6
103.99559	1.5
110.98386	14.9
114.08229	2.0
125.00735	1.5
126.98733	5.3
128.89105	14.8
129.89224	2.0
130.88817	100.0
131.88879	5.5
136.93834	2.4
145.24783	1.8
152.93671	2.0
154.90523	24.1
154.93332	2.1
155.90540	2.1
168.99805	6.5
228.88396	1.8
230.86180	3.5
241.01135	5.7
272.82568	1.6
272.87418	10.3
273.03809	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.8
59.01249	30.8
69.03309	3.8
70.72446	2.2
70.72826	1.7
71.01256	25.5
71.04884	4.9
71.61877	1.0
72.99191	1.7
73.02812	3.6
81.03313	3.5
83.04900	5.9
85.02809	5.1
85.06461	1.9
87.04369	1.2
93.03358	1.3
95.04871	1.8
96.95880	6.6
97.02802	2.2
97.06436	3.3
99.08024	3.8
101.05948	1.2
102.84076	0.9
108.01994	1.4
109.02807	2.3
109.06474	6.2
110.03617	1.0
111.04414	16.0
111.08043	14.6
112.98727	1.1
113.05962	1.0
115.03896	8.2
121.06482	4.0
121.10137	1.2
123.04379	2.5
123.08068	0.9
125.02289	1.2
125.05967	2.3
127.07552	7.4
129.05479	2.3
130.08643	7.9
135.08011	2.4
137.05954	3.5
137.09628	7.6
139.07542	9.9
140.07042	1.0
141.05466	0.9
142.99721	3.1
145.04956	1.5
149.05923	1.3
153.05432	1.9
155.07066	18.3
155.10683	78.3
156.07356	0.9
156.10960	3.3
163.11125	1.5
167.07025	1.1
173.08028	4.2
174.01611	8.8
181.12241	2.7
183.06548	2.1
183.09903	1.0
185.16490	6.4
191.14285	2.3
193.04985	0.9
195.09865	0.9
199.09697	24.1
200.09995	1.5
208.65916	1.0
209.09627	3.2
209.11668	1.2
225.09099	1.4
227.06877	0.9
233.57951	0.9
235.13383	4.8
253.14413	10.7
254.14650	1.0
271.02585	6.7
271.09763	3.6
271.15479	100.0
271.22644	2.6
272.15796	6.7
289.34186	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	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
57.03320	0.7
57.67651	0.6
59.01249	13.3
63.02266	11.0
65.00192	16.9
71.01252	2.1
71.58279	0.9
83.01252	9.2
83.04887	0.8
85.02829	1.2
93.03339	14.6
94.03660	0.9
107.01266	24.9
108.02104	1.1
109.02819	2.0
114.83317	0.7
115.03902	1.0
119.04913	73.0
120.05238	2.6
121.02873	1.0
123.00737	0.8
125.02331	2.8
134.32991	0.6
143.04913	1.2
145.02870	1.8
146.99644	0.6
151.00272	62.7
152.00621	2.4
161.05983	1.5
165.01918	3.0
169.01312	7.0
171.10135	0.7
177.01848	8.8
185.05922	1.2
187.03951	2.6
191.05511	1.3
199.07280	0.7
211.13402	0.7
227.07178	0.9
229.14351	2.9
253.14403	0.8
259.48889	0.6
271.06107	100.0
271.15494	4.3
271.19177	1.6
271.22656	3.3
272.06503	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48705	1.7
57.03292	2.2
58.00469	7.6
59.01247	21.7
69.03315	2.5
71.01257	1.5
71.58102	1.4
72.99163	2.0
73.02807	4.0
75.23380	1.2
83.04891	4.8
84.02069	1.7
93.03344	1.7
95.04891	2.3
96.95885	2.7
97.06456	16.7
99.07964	1.6
109.02819	4.5
109.06452	5.5
111.04409	2.1
111.08044	48.8
113.05968	12.2
119.04840	1.7
121.06468	4.9
125.05980	1.9
127.07533	4.5
135.08047	13.9
137.05984	7.2
139.07561	18.1
141.05478	9.5
143.07077	3.4
155.07060	26.9
161.02312	1.8
163.25888	1.4
173.13332	8.5
191.14366	4.0
199.03845	1.9
243.03012	3.7
253.14363	7.3
258.85242	1.4
271.02466	16.1
271.05319	1.6
271.15491	100.0
271.22818	5.3
272.02994	2.5
272.15674	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	269.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.7
59.01249	100.0
60.01596	1.2
70.38131	0.9
70.64710	2.9
71.01254	1.5
71.35280	0.7
73.02809	1.2
74.02348	3.0
76.97176	0.9
79.95602	10.8
83.04858	1.0
84.42796	0.9
95.95096	2.8
96.95892	18.0
97.06465	1.5
98.95461	0.9
99.04404	4.0
101.05950	3.9
106.04057	0.9
109.06438	1.1
109.07124	1.1
111.66096	0.8
119.04971	1.3
121.06483	1.0
134.06009	1.4
153.09059	1.0
163.11110	0.9
165.12762	6.9
175.56770	1.6
181.12268	1.1
186.95630	1.1
189.12837	1.4
207.13847	17.1
208.14284	1.1
209.11758	19.0
210.12079	1.2
214.01720	1.1
225.14931	11.4
228.58853	2.5
235.10147	0.9
246.57292	1.2
251.12888	8.4
251.16412	1.1
254.17642	1.5
268.56744	8.0
269.04391	1.2
269.06870	2.1
269.13934	66.0
269.17435	3.6
269.21228	19.5
269.24741	4.2
269.56723	1.9
270.14178	3.2
270.21658	1.0
277.11215	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	269.212
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
54.34766	0.4
59.01243	1.2
61.27383	0.3
67.50817	0.4
68.02412	0.8
70.06747	1.3
71.01260	0.9
79.95587	0.6
80.17215	0.4
83.45934	0.4
96.95887	0.7
99.00697	0.5
113.09627	2.1
132.98074	0.6
137.09619	0.5
139.11177	0.6
148.85339	0.4
155.10681	15.0
164.93005	0.5
166.90939	1.2
184.92021	1.0
186.85497	0.8
186.95546	1.9
208.92076	0.5
225.22256	0.5
226.93118	1.2
233.18968	0.5
242.03242	0.5
251.20142	13.4
251.22752	0.7
252.20384	0.9
267.19675	1.0
269.04495	1.0
269.21210	100.0
270.21570	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	269.1296
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
51.26720	0.4
59.01242	1.3
62.96264	1.5
67.78583	0.4
69.85183	2.4
79.95596	0.9
83.04880	0.9
88.62397	0.6
94.02859	0.8
96.04388	0.5
96.95879	1.5
98.19788	0.6
117.03281	0.5
120.04411	2.2
121.02784	0.4
134.06003	0.8
143.17570	0.4
158.04726	0.5
162.83807	0.7
164.92949	0.8
166.90962	1.2
184.92030	1.2
186.85527	1.1
186.95531	3.4
198.12895	0.9
208.92102	0.8
211.08713	3.3
211.13402	0.5
225.10274	5.1
225.22151	0.6
226.10590	0.8
226.12413	1.6
226.93098	2.7
236.09694	0.6
239.08279	4.1
240.08913	0.7
241.13478	3.6
251.11992	0.9
253.09801	2.5
254.10570	13.1
255.11002	0.5
268.56723	0.6
269.12933	100.0
269.21185	12.3
269.24762	3.1
270.13248	8.3
270.21338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0907
Annotation	moclobemide
Peak:m/z	Relative Intensity
57.03301	0.4
57.20220	0.3
59.01241	0.7
61.21733	0.4
71.01248	0.7
71.56836	0.5
71.57221	0.4
75.00742	0.5
79.95638	2.0
85.02812	0.8
87.00735	1.0
95.97121	0.4
96.95887	100.0
97.95787	0.4
98.49854	0.5
113.02324	1.1
124.03943	0.5
146.03665	0.7
164.04701	0.5
179.07080	1.1
223.06395	30.7
224.06718	1.3
267.09097	29.8
268.09320	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	267.1964
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
54.00197	0.5
57.03314	0.9
59.01250	3.3
70.68022	0.5
71.01244	3.5
73.02812	1.0
81.79901	0.5
85.02821	1.3
85.06478	1.1
89.02319	1.4
94.02859	0.6
101.02332	2.5
111.08087	0.7
113.02335	1.1
124.03928	0.7
133.45680	0.5
137.09717	0.5
139.07588	0.5
139.11153	1.6
143.07033	2.8
155.10689	5.4
161.04498	1.1
166.94876	0.5
169.96353	0.5
183.10184	36.2
184.10516	1.5
195.13860	5.9
209.04358	0.5
223.20706	0.8
229.18800	0.5
249.18552	11.8
250.19041	1.1
267.19638	100.0
268.19934	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	265.2171
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
50.27942	1.1
53.31152	1.2
55.83799	0.7
55.90047	0.8
56.61568	0.8
59.01227	1.9
62.92595	0.9
67.02516	0.9
79.70309	1.0
96.95889	18.2
98.19801	3.0
159.51164	0.9
265.14743	15.9
265.21695	100.0
266.15048	1.5
266.22061	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	267.0907
Annotation	moclobemide
Peak:m/z	Relative Intensity
70.54044	0.2
70.72049	0.2
70.89723	0.5
71.04886	0.4
72.05059	0.2
79.05532	0.2
79.95593	1.1
81.69107	0.2
96.95894	100.0
97.95812	0.4
99.08029	0.5
141.12755	1.0
154.01071	0.2
167.44490	0.2
169.12245	0.6
177.91173	0.2
187.13338	12.6
188.13658	0.7
209.84293	0.2
267.09073	56.2
268.09421	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	263.2014
Annotation	KDC 165
Peak:m/z	Relative Intensity
50.59512	0.5
56.53249	0.6
59.01255	2.9
61.07609	0.5
63.33677	0.5
70.80891	1.4
71.01236	1.3
122.92451	0.6
135.23038	0.6
153.98343	0.5
255.68709	0.7
261.18536	0.6
263.20132	100.0
264.20480	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	265.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06187	0.2
53.22854	0.2
59.01250	2.6
63.84127	0.2
65.21310	0.2
69.38026	1.4
71.04878	0.3
74.02340	0.3
79.95604	2.2
85.02769	0.2
93.03352	0.2
95.95096	0.4
96.95890	100.0
97.95820	0.4
98.19785	0.3
100.03878	0.2
106.06507	0.6
119.04911	0.2
129.50735	0.3
138.30867	0.2
149.09583	0.3
150.05533	0.2
163.03984	0.2
180.06602	0.8
185.11757	2.9
186.12071	0.2
221.08485	0.8
234.88251	0.2
247.06442	0.5
265.07498	37.5
266.07831	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86962	3.4
69.45344	28.7
83.04887	3.2
88.90894	2.9
90.84826	2.7
117.74328	3.4
138.77954	3.1
163.11084	4.0
166.06662	3.4
209.11754	100.0
227.12827	8.6
259.09549	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.0
59.01249	100.0
71.01250	1.9
71.11938	2.1
79.95605	2.0
80.23098	0.9
85.02838	1.0
92.88169	1.2
95.95102	28.3
96.95885	22.9
96.96501	1.4
98.95460	3.5
98.96301	1.1
113.02329	2.9
121.02888	1.1
143.03464	1.1
161.93434	1.0
164.01433	2.5
175.02028	1.2
204.11502	2.9
219.13818	2.0
263.05890	24.7
263.08926	1.5
263.10126	1.7
263.12930	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	263.1287
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
56.00943	2.1
57.03318	5.1
59.01251	12.3
59.46603	1.9
60.00789	2.0
62.29759	1.7
69.03322	2.1
71.01237	7.7
71.04887	2.8
73.02840	2.4
79.05390	2.1
83.04888	6.8
85.02782	1.8
91.42896	1.8
93.06962	2.7
96.95896	7.2
97.02796	10.6
98.20527	5.5
105.06963	3.5
108.05666	7.6
109.02827	7.4
109.06464	4.8
111.04396	14.0
111.07978	2.1
113.05946	11.8
119.04867	2.1
119.08552	3.3
121.02839	2.7
121.06492	3.4
122.03606	16.9
123.04462	2.3
123.08064	9.9
125.05978	19.3
135.04440	2.0
135.08025	4.4
136.05183	17.3
137.05946	8.6
138.06754	21.7
139.07561	34.5
141.58861	1.9
144.88155	2.0
148.05185	10.4
149.05981	4.7
151.07555	81.2
152.04695	8.1
152.08340	39.3
153.09161	10.6
157.15346	2.3
159.11664	4.2
161.09630	9.2
163.07584	17.4
164.08238	4.0
165.31029	2.0
167.07054	4.2
185.09679	3.2
188.08432	5.0
189.09128	9.0
201.12767	36.6
202.13159	2.7
203.10696	30.0
204.11490	65.0
205.11778	2.9
219.13846	100.0
220.14087	6.0
263.09958	2.9
263.12851	19.6
263.15570	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	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76259	1.0
55.01755	1.7
57.03313	1.6
59.01249	77.8
71.04882	2.0
71.33990	1.7
73.02821	47.2
73.03233	2.4
76.01962	1.2
83.04904	3.2
96.95893	2.7
97.06458	5.3
107.04933	2.2
110.03628	2.2
112.62552	1.4
115.03864	1.4
123.08069	8.6
125.05978	19.1
127.03831	1.1
137.09584	2.7
137.62267	1.1
141.09119	4.6
167.07095	6.7
181.08559	2.1
183.92310	1.2
185.08118	100.0
186.08470	5.5
196.89194	1.1
197.11768	12.6
199.09686	12.4
205.38091	1.1
215.12886	3.9
241.10722	5.9
259.11856	71.5
260.12134	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	259.1186
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
58.24773	0.8
59.01250	58.2
71.04888	1.0
71.34062	1.9
73.02818	39.5
75.30064	0.7
83.04888	1.1
90.30428	0.8
93.59814	0.8
95.04893	1.3
96.95861	0.9
97.06455	4.4
99.04388	0.9
107.04906	2.9
110.03658	0.8
120.01143	0.8
123.08047	6.9
125.05975	16.9
133.53899	0.7
137.09593	1.1
141.05508	0.7
141.09084	3.7
146.35542	0.8
154.85313	0.8
166.87726	0.9
167.07030	7.5
181.08578	2.0
185.08116	100.0
186.08449	6.5
197.11787	10.8
198.12088	1.0
199.09692	11.1
208.27672	0.9
215.12854	2.0
241.10753	3.1
259.11856	59.6
260.12167	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	259.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.3
66.65621	1.0
68.01279	0.9
71.01228	0.8
71.57615	1.1
83.04852	1.0
94.76837	0.8
96.95894	2.0
125.09598	1.2
127.11140	1.1
131.72079	0.9
135.04362	1.3
136.07431	0.9
137.09628	8.3
141.63054	0.8
155.10684	100.0
156.11032	4.0
171.10173	24.1
179.10690	1.2
181.08620	1.9
183.10228	0.9
191.68463	0.8
197.11668	1.1
199.09685	35.3
200.10005	1.3
215.12854	4.3
217.10754	90.8
218.11034	5.7
259.02341	1.1
259.06302	1.7
259.11932	13.9
259.14917	1.7
260.12158	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	257.1757
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03322	6.2
58.00457	1.4
59.01250	35.0
60.01583	0.5
69.03323	1.1
69.29473	3.9
71.01254	28.1
71.04890	8.7
71.05260	0.3
72.01548	0.6
73.02818	22.9
73.06450	0.4
76.71803	0.4
81.03320	2.3
83.02406	0.5
83.04896	6.5
85.02837	2.1
85.06454	1.5
87.04385	0.8
97.02829	9.1
98.19775	1.0
99.04408	2.7
101.05956	11.4
107.30067	0.5
115.03904	2.9
127.03859	1.9
139.11142	1.0
141.12712	0.7
145.03812	0.9
145.04964	17.3
146.05298	0.7
167.14313	2.1
173.09453	0.5
177.16331	0.8
183.13779	0.6
193.15913	2.5
195.17459	1.6
203.97253	0.5
211.16994	0.9
219.84497	0.7
221.15399	1.5
221.84230	1.5
239.16496	16.9
240.16844	1.5
255.16010	0.6
257.17566	100.0
258.17923	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	257.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09852	0.3
59.01257	0.6
67.01774	0.7
71.57084	0.4
71.57469	0.7
73.45340	0.3
74.69643	0.3
79.05397	0.9
79.33705	0.4
79.95606	0.5
83.04896	0.5
84.04398	0.4
93.03349	0.9
95.04919	1.4
96.95866	0.6
107.03651	2.3
108.04445	0.9
116.07028	0.6
119.04920	2.4
120.04444	9.8
121.02841	0.9
121.05232	21.5
122.06012	28.2
123.06385	0.9
134.06009	4.4
135.04417	1.1
135.06836	2.1
136.05429	2.5
136.07576	100.0
137.05991	5.9
137.07928	4.3
146.06003	0.8
146.09656	0.7
148.07602	0.4
148.44083	0.4
150.05544	0.5
161.07088	1.6
163.03917	0.8
171.11787	0.9
173.04373	0.8
176.03908	0.6
179.03419	1.8
189.10246	2.1
191.05537	0.9
199.09938	0.7
205.77751	0.4
213.07025	0.4
213.09175	0.5
214.12312	4.4
224.58023	0.4
227.08165	1.8
228.06573	0.4
228.08801	0.5
241.09718	0.5
242.10547	5.8
257.04987	0.7
257.08270	1.4
257.12906	23.3
257.23929	0.8
258.10995	0.4
258.13486	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	257.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	2.3
57.03311	10.3
59.01231	9.1
69.03308	4.9
71.01249	8.3
71.04888	25.8
71.57697	3.0
83.02371	2.5
83.04893	5.8
85.02817	3.1
91.69309	2.6
93.03353	2.4
94.06520	4.9
95.04919	3.8
97.06460	14.8
99.00736	15.4
102.55622	2.0
106.04022	2.8
109.06440	3.2
123.08051	15.7
125.02338	2.4
125.09608	100.0
126.09948	4.0
135.04440	4.1
153.09094	7.6
153.12737	4.1
163.11185	36.6
164.11497	2.9
181.12256	72.5
182.12662	2.6
207.10223	16.0
211.13234	4.5
221.84167	3.9
225.11255	50.7
226.11501	2.8
239.12852	5.3
257.08261	4.2
257.13934	89.2
257.17477	7.4
257.23819	11.6
258.11575	3.0
258.14322	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	257.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	2.3
57.03311	10.3
59.01231	9.1
69.03308	4.9
71.01249	8.3
71.04888	25.8
71.57697	3.0
83.02371	2.5
83.04893	5.8
85.02817	3.1
91.69309	2.6
93.03353	2.4
94.06520	4.9
95.04919	3.8
97.06460	14.8
99.00736	15.4
102.55622	2.0
106.04022	2.8
109.06440	3.2
123.08051	15.7
125.02338	2.4
125.09608	100.0
126.09948	4.0
135.04440	4.1
153.09094	7.6
153.12737	4.1
163.11185	36.6
164.11497	2.9
181.12256	72.5
182.12662	2.6
207.10223	16.0
211.13234	4.5
221.84167	3.9
225.11255	50.7
226.11501	2.8
239.12852	5.3
257.08261	4.2
257.13934	89.2
257.17477	7.4
257.23819	11.6
258.11575	3.0
258.14322	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	253.2172
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
51.27455	15.7
54.89758	17.1
59.01228	32.2
70.18132	58.9
82.94316	16.5
87.97040	17.3
93.42178	17.2
101.33214	18.5
111.83359	17.8
157.54475	16.4
253.21701	100.0
256.90747	18.1
260.86273	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	255.1137
Annotation	3-Isopropyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
59.52690	0.4
59.90229	0.4
65.03825	0.5
67.01742	0.5
67.32386	0.4
69.55135	3.2
74.02496	0.4
94.95942	0.4
95.04896	1.8
108.04421	0.9
118.65315	0.4
120.04431	2.3
122.06011	1.7
125.87485	0.4
132.04420	0.7
134.06012	8.1
137.20157	0.5
145.05222	1.9
159.05551	4.4
160.06296	1.1
182.06032	3.9
196.07613	3.4
197.08339	1.9
210.09311	0.7
211.08665	0.6
211.30582	0.4
212.10760	9.6
213.11050	0.8
224.05881	0.5
225.06609	1.6
226.07448	6.0
227.07875	0.6
228.10260	0.9
239.08238	6.9
240.09001	15.5
241.09279	1.1
254.10429	0.5
254.92815	0.8
255.11374	100.0
255.23254	7.2
256.11694	5.7
256.23697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1444
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
52.39595	2.3
54.01575	2.5
57.03318	10.8
58.00460	4.6
59.01252	83.0
69.03327	9.8
69.05438	3.8
71.01255	10.1
73.02830	5.2
83.04916	5.3
89.02322	8.5
95.04928	5.1
97.06476	22.0
98.20663	5.0
99.08052	3.8
101.02322	6.2
105.27116	2.7
107.04887	3.0
109.06467	10.4
111.08041	77.7
121.06479	4.6
123.08068	6.1
125.05964	3.5
127.07549	6.6
135.08043	11.0
137.05943	3.5
137.09627	4.8
139.07509	8.2
141.05481	100.0
142.05786	5.4
143.07033	10.6
155.07056	20.0
155.10622	3.9
161.04436	3.5
171.06567	3.7
171.35962	2.9
173.13295	17.3
191.14346	22.7
193.07086	3.3
207.13832	6.6
209.11871	7.3
209.15457	4.0
221.49428	2.4
235.13432	19.2
253.03854	3.1
253.09306	8.8
253.14441	46.8
254.14734	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	251.2014
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01242	1.7
68.02393	0.7
71.01237	1.0
84.06808	0.7
98.20557	1.6
100.48352	0.6
101.02370	0.9
115.08337	0.6
251.20129	100.0
252.20451	9.0
264.26367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0732
Annotation	Neopterin
Peak:m/z	Relative Intensity
55.68892	0.3
56.67810	0.2
58.21119	0.2
59.01252	5.7
71.01251	2.1
74.05412	0.2
79.95605	100.0
80.95537	0.4
80.96396	0.6
83.01263	0.4
85.02818	0.6
89.02322	2.0
93.03339	0.4
101.02314	2.5
109.06414	0.4
111.08047	0.3
113.02335	1.0
113.19391	0.2
119.03369	0.6
121.05155	0.3
126.12805	0.5
139.07639	0.3
156.96521	0.2
160.11508	0.6
161.04449	1.4
164.98387	0.3
179.05440	0.3
188.11064	8.5
189.11401	0.4
193.07079	0.3
194.37953	0.3
223.07530	0.2
235.13310	0.4
252.07315	40.4
253.07433	1.8
253.09328	1.9
253.14398	0.5
253.21712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1493
Annotation	Sch 601254
Peak:m/z	Relative Intensity
57.03292	1.3
59.01246	11.6
60.62237	0.9
65.04897	1.0
68.02393	2.5
69.03324	37.5
70.68545	2.6
71.04865	1.5
71.07577	1.0
80.96386	1.0
83.04900	3.9
93.03349	1.2
94.86597	1.0
95.04899	3.9
97.06460	3.1
98.77396	0.9
103.91888	2.1
106.58223	1.0
107.08529	1.6
109.06454	1.6
111.07990	1.8
121.06493	1.2
130.94240	3.2
133.10136	1.4
134.07245	1.9
149.09607	1.4
149.13249	3.8
151.11130	1.2
161.13219	1.9
165.95622	3.2
167.10724	5.0
171.10152	1.3
179.10664	1.7
187.14864	4.1
188.19206	1.0
189.95653	1.4
193.12225	9.1
203.14235	2.0
205.12296	10.5
205.15926	15.9
206.16322	1.3
207.96725	3.8
221.15424	17.0
231.13857	37.5
232.14244	3.5
234.05508	1.1
249.00665	1.2
249.14928	100.0
250.15227	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	249.1858
Annotation	9-Oxo-2beta-methoxyclovane
Peak:m/z	Relative Intensity
52.01466	0.7
55.96434	0.6
57.02677	0.7
57.03319	0.6
59.01253	3.5
59.38251	0.6
71.01245	0.7
73.02825	0.7
82.40093	0.6
179.56598	0.7
205.08559	0.9
205.15921	2.0
231.17497	1.6
234.21658	0.8
249.14946	3.9
249.18573	100.0
250.14503	12.6
250.18863	9.9
265.16968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75586	0.2
69.53696	0.2
69.81158	1.0
72.99174	0.4
73.02801	0.2
75.00749	0.6
79.95617	0.8
80.21735	0.2
91.34774	0.2
93.03327	0.2
96.79176	0.2
96.95889	100.0
97.95849	0.4
98.20438	0.3
105.16965	0.1
116.71832	0.1
123.05428	0.2
126.40813	0.2
145.40805	0.2
150.16862	0.2
171.10138	0.5
173.04462	0.3
193.38382	0.2
215.12791	0.3
229.14459	0.4
247.06357	1.6
247.09627	0.2
247.11725	0.3
247.15460	2.1
248.15929	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	247.1701
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
50.24837	0.1
59.01271	0.2
76.20419	0.2
79.95554	0.2
80.75005	0.2
84.28401	0.1
89.02312	0.2
90.29240	0.1
92.27464	0.1
98.20574	0.4
121.02836	0.2
161.42535	0.2
165.01836	0.2
178.62512	0.1
184.00131	0.5
193.07124	0.2
205.15688	0.2
220.16966	1.2
231.13849	0.5
247.17000	100.0
248.07977	0.7
248.17351	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	44.9
64.72952	0.6
65.99715	0.5
67.15807	0.6
68.46889	0.5
70.23315	2.3
78.95776	0.7
96.95879	0.9
98.19836	0.5
107.28485	0.5
127.11164	3.7
139.11162	1.2
155.10680	2.5
157.12250	19.4
158.12540	1.2
171.10107	1.2
175.06268	0.7
185.11755	16.2
186.12167	0.8
201.11215	0.7
203.12820	100.0
204.13130	8.2
204.14915	0.8
215.13148	0.6
245.13925	5.0
246.14662	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1391
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
50.46737	0.4
57.03331	2.9
59.01239	1.3
69.03331	0.8
71.04890	2.0
73.02821	1.0
83.04890	1.6
93.86845	0.5
96.95865	1.1
97.06438	0.8
98.20544	1.3
111.08031	3.6
125.09605	1.1
142.06532	0.5
155.14330	3.0
161.05850	0.5
163.11163	1.4
165.12755	19.0
166.13101	1.3
171.10170	0.4
181.12276	0.6
183.13826	21.2
184.14114	1.6
199.13319	1.3
201.11143	0.5
201.13014	1.0
201.14865	10.2
207.10159	0.9
209.11751	10.2
210.12160	1.1
225.11217	1.8
227.12823	59.0
228.13153	4.6
229.82115	0.6
243.12416	0.8
245.13898	100.0
246.14243	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	247.0608
Annotation	Misakimycin
Peak:m/z	Relative Intensity
69.68678	5.3
72.99177	4.1
93.03336	1.4
96.95888	22.6
109.02853	2.3
133.02821	4.1
145.02794	0.9
146.03639	18.1
147.04402	3.3
147.08038	1.5
148.05167	2.2
157.06480	4.1
159.04425	7.2
160.05159	1.4
171.04436	2.4
173.04541	1.6
173.06009	7.5
174.03139	56.1
174.06601	4.2
175.03517	3.6
175.07562	39.4
176.07909	2.8
185.06009	15.4
186.06592	0.9
187.03912	11.9
188.04716	8.6
189.01851	21.8
190.02649	21.1
191.03314	1.0
201.05476	0.9
202.06310	1.9
203.07065	53.0
204.07428	4.2
212.98715	1.0
218.02153	11.0
219.06581	27.9
220.03709	1.8
220.06963	1.4
247.06091	100.0
248.06413	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	245.0929
Annotation	N-Acetyl-L-tryptophan
Peak:m/z	Relative Intensity
57.03318	0.8
58.02846	23.1
59.01244	1.0
59.66207	0.4
67.08512	0.4
70.02853	15.0
72.00776	4.7
72.04416	3.7
74.02342	100.0
75.02695	0.6
75.06264	0.4
79.95589	0.8
84.04411	0.7
85.02828	0.5
96.95886	1.1
97.22887	0.5
98.01701	1.1
98.02350	21.9
99.02697	0.7
113.04180	0.8
115.99732	0.6
116.03429	30.1
116.04942	33.0
117.03801	0.5
117.05265	1.4
129.01837	0.9
130.06531	5.1
142.06511	8.1
148.94637	0.4
156.08092	0.7
157.08685	0.8
159.09174	6.4
160.02423	0.7
161.04648	0.7
165.09109	3.5
183.09193	1.6
186.05545	2.2
201.10201	8.5
203.08197	80.5
204.08521	5.8
209.11732	1.0
209.91141	0.4
214.10779	1.0
229.86629	0.6
245.04913	3.6
245.09276	67.8
245.13846	5.6
246.09636	7.7
246.14969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
57.03312	4.5
59.01252	100.0
65.01309	2.3
69.03328	2.7
69.52533	9.6
71.01258	2.5
71.04893	2.1
72.99176	7.4
73.02823	3.6
74.02351	3.3
79.95624	2.7
83.04887	2.7
85.06445	2.2
95.04884	1.8
96.95874	1.4
107.08558	4.1
108.16293	1.3
109.06460	2.2
120.65353	1.1
121.10069	1.4
125.09592	3.3
129.50696	1.3
134.05954	2.3
137.09599	2.7
139.11176	22.1
152.03447	1.1
152.56200	1.2
155.10698	4.3
157.05069	1.2
163.03914	3.0
163.11165	3.2
165.09074	2.5
171.10139	2.1
173.60576	1.2
178.05614	1.2
181.12250	13.7
183.10191	81.7
184.10544	3.8
199.09668	1.5
199.13330	11.6
201.11255	86.7
202.11566	6.3
207.10205	4.1
215.12808	3.5
217.07286	2.0
225.11259	19.1
225.14713	1.4
238.26794	1.2
240.12453	2.2
242.99554	1.5
243.02884	1.7
243.12349	44.4
243.16078	2.9
244.12715	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
51.85030	0.5
55.01761	0.7
57.03327	1.0
59.01252	2.7
66.91706	0.7
68.78425	0.5
69.03305	0.7
70.98197	0.7
70.98519	0.9
71.04890	4.4
75.55013	0.5
83.04890	1.7
85.16830	0.6
96.87350	0.5
97.02824	6.7
97.06442	2.5
99.00754	25.9
100.01044	0.8
102.71326	0.7
106.04092	0.8
107.52325	0.5
108.02084	0.6
109.06457	2.3
110.03610	2.4
123.04457	0.6
123.08005	1.3
125.09611	10.3
127.11157	2.1
135.08020	1.3
136.05161	1.7
139.11166	0.6
140.12669	0.6
142.02609	2.8
153.12704	1.4
155.14317	2.4
161.09607	1.1
163.11188	11.8
177.69476	0.6
179.10603	1.3
181.12259	31.0
182.12610	1.6
183.10155	0.9
197.11768	2.1
199.13330	25.0
200.13686	1.7
207.10205	54.8
208.10536	4.7
225.11278	100.0
226.11586	8.6
243.12350	99.7
244.12685	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
56.15662	0.9
56.19866	0.9
57.03314	3.4
59.01251	63.0
60.01575	1.2
69.76831	4.2
71.04880	1.1
73.02814	3.3
73.45839	0.9
73.46284	0.8
92.09739	0.8
94.75620	0.8
97.02847	1.1
99.00764	2.5
107.90804	0.8
121.53705	0.8
125.09599	1.4
127.11140	1.0
137.09608	1.0
139.10115	2.0
139.11182	39.9
140.11499	1.1
163.11221	1.9
165.09064	2.0
181.12259	27.9
182.12582	2.6
183.10184	54.3
184.10481	2.6
197.11777	0.9
199.13326	29.6
199.15071	1.8
200.13667	1.3
207.10181	7.9
225.11272	30.9
226.11577	1.9
243.12346	100.0
244.12624	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01218	1.3
59.41124	0.5
69.38309	4.3
71.04894	3.5
83.04887	0.8
97.02812	4.0
97.06435	1.0
99.00755	18.9
99.24935	0.5
109.06472	1.3
110.03555	0.7
123.08022	0.8
125.09612	5.3
135.07977	0.5
141.92058	0.5
142.02576	1.2
153.12651	0.9
155.14304	1.9
163.11195	6.0
164.11652	0.5
171.10158	0.7
181.12254	16.8
182.12653	1.2
197.11824	1.2
199.13326	16.7
200.13623	0.9
207.10199	33.0
208.10493	2.1
215.12773	0.6
225.11264	68.2
226.11604	4.0
243.12340	100.0
244.12688	7.7
248.08916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.4
59.90720	0.1
60.09335	0.1
65.99714	0.1
66.03477	0.1
69.36205	1.2
69.91282	0.1
71.01247	0.2
79.63512	0.1
79.95603	1.0
83.02354	0.1
96.95889	100.0
97.95816	0.5
106.04021	0.2
110.02348	0.5
115.46616	0.1
122.35343	0.1
124.04032	0.1
124.66651	0.1
125.09605	0.2
143.03426	0.1
145.32835	0.1
181.12340	0.2
207.10350	0.2
225.11279	0.5
231.84361	0.1
243.06926	10.3
243.12054	0.6
243.16034	0.6
243.19710	0.2
244.07204	0.8
253.40369	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	243.062
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01236	0.9
65.47352	1.0
66.03358	14.0
66.36526	0.9
67.72285	0.9
68.01279	2.9
70.02885	1.0
71.01257	2.2
71.33475	2.1
82.02856	32.0
83.01251	1.8
83.03208	0.9
84.04431	1.0
94.02860	3.5
96.00768	1.1
96.04408	1.1
108.04424	3.1
110.02364	100.0
111.01894	6.8
111.02676	2.8
112.98713	1.4
114.01840	1.0
117.01826	1.9
122.02386	9.2
123.34597	0.9
124.03935	3.8
140.03430	10.9
142.99734	1.4
152.03444	16.2
153.02939	11.2
153.06169	1.0
173.00937	1.2
181.75891	1.1
200.03690	1.6
200.05579	31.5
201.05817	1.7
243.06212	21.7
243.15898	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	241.1442
Annotation	Annuionone F
Peak:m/z	Relative Intensity
50.93715	0.5
59.01249	100.0
60.01584	1.7
65.01327	1.0
65.99707	0.7
71.04898	2.3
71.58461	0.5
79.54290	0.5
83.02389	0.7
94.17120	0.4
96.95940	0.6
106.04004	0.9
108.02061	0.6
109.06452	0.6
109.28176	0.4
111.08060	0.8
142.06493	0.7
156.05536	0.5
179.10771	0.6
179.14340	0.9
181.12241	1.8
188.76295	0.6
197.11685	1.1
197.15414	0.6
206.69896	0.6
223.13359	1.5
241.14415	41.8
241.18161	1.8
241.21553	2.8
242.14734	4.8
251.28986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1442
Annotation	Annuionone F
Peak:m/z	Relative Intensity
53.21111	0.5
59.01251	100.0
60.01589	0.8
61.79153	0.4
65.01339	0.6
65.99754	0.5
69.52304	1.9
69.52727	1.7
71.04893	1.4
76.33538	0.5
83.04873	0.6
86.18914	0.5
87.00755	0.5
103.67730	0.4
105.48032	0.5
111.08057	0.6
120.45058	0.4
123.08025	0.5
130.03963	0.7
133.30905	0.5
157.05049	0.5
169.10481	0.6
172.05054	0.5
179.10664	0.8
179.14278	1.1
197.11775	0.9
199.06119	0.6
223.07854	0.5
241.10628	0.8
241.14418	26.7
241.18175	0.9
241.21689	1.7
242.14867	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	242.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94437	0.6
59.01242	0.9
60.73152	0.8
69.75182	1.2
69.75594	3.1
79.95604	23.9
91.05407	39.3
92.05736	2.0
93.03338	0.7
96.95889	13.2
135.04439	6.5
163.03912	100.0
164.04260	7.5
171.01132	14.6
194.33374	0.7
224.96455	0.8
242.99713	10.5
243.02783	1.2
243.12357	1.1
243.99715	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	241.1078
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01761	0.8
57.03325	2.3
59.01263	0.7
61.47675	0.6
69.03341	3.0
70.13315	1.6
70.13723	1.8
71.01260	1.0
71.04893	5.2
79.01772	0.8
79.89938	0.6
79.95625	1.2
123.08064	0.9
125.09610	2.9
125.36737	0.7
151.11211	1.8
153.12750	3.0
160.95604	1.9
161.06023	2.5
161.09654	1.4
177.17442	0.8
179.10666	7.0
180.11069	0.6
197.11768	100.0
198.12086	6.7
223.09703	3.5
241.01703	1.6
241.10780	73.7
242.11075	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	241.1442
Annotation	Annuionone F
Peak:m/z	Relative Intensity
52.94556	0.8
57.03324	1.4
59.01251	100.0
60.01596	1.5
61.98705	0.9
65.01346	1.2
65.99722	1.0
69.40459	3.3
69.40887	3.3
71.04904	2.9
78.95817	0.8
83.04913	2.1
87.00752	2.7
99.02612	1.4
109.51286	0.9
111.08046	0.8
119.18800	0.7
132.01826	0.8
137.02374	0.7
137.09619	0.9
145.05122	0.9
151.11238	0.7
153.09122	1.3
159.18185	0.7
179.10747	1.1
179.14270	0.8
181.12326	0.8
197.11700	2.1
215.05818	0.8
223.13387	0.9
241.01189	0.8
241.10953	3.6
241.14468	35.4
241.18167	1.9
241.21773	3.5
242.14810	4.1
245.53339	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	239.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86579	3.4
58.99474	8.2
59.01249	96.3
63.97931	3.2
67.90224	2.8
69.71328	19.9
71.01252	8.7
72.04445	3.4
74.95107	3.0
85.02839	4.0
87.00755	18.6
89.02321	7.7
96.78237	3.5
96.95893	16.1
99.00766	4.3
101.02280	5.2
117.01817	5.3
151.04243	7.8
151.98050	3.4
154.02267	4.3
161.04453	19.5
166.87450	4.7
176.16364	3.5
179.05534	100.0
180.05835	4.1
221.06470	5.9
239.02072	5.1
239.05780	4.4
239.07761	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	236.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.9
61.98701	0.5
63.15169	0.2
68.02405	1.1
96.07213	0.2
134.03664	0.4
135.04407	0.4
136.05144	0.5
145.73936	0.2
148.05196	8.7
149.05754	0.6
149.09636	1.3
150.09981	0.2
162.06810	0.4
175.07471	0.3
176.08363	0.8
177.09116	42.6
178.09479	2.8
179.10637	0.2
180.07843	0.2
190.09903	1.8
191.06978	0.2
191.10716	0.9
192.11476	31.9
193.11867	2.7
201.09111	0.5
203.07098	0.7
206.09387	0.2
217.08681	2.8
218.09412	8.5
218.22479	0.2
219.09747	0.8
222.61050	0.2
224.10634	0.3
236.10487	100.0
237.10867	10.2
240.15891	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	237.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	12.4
57.03323	11.3
58.69431	5.9
59.01247	85.5
68.02406	22.8
70.99481	7.0
71.01255	87.4
71.56048	8.0
71.56415	8.1
73.02821	36.5
83.01241	10.1
84.98924	7.3
85.02818	59.2
87.00719	7.3
89.02302	17.4
92.42460	6.4
99.00748	16.2
99.89783	7.6
101.02308	100.0
101.02910	9.8
113.02323	44.0
120.88393	7.2
135.99088	6.3
141.09128	6.5
141.14850	6.6
159.02837	9.6
161.04471	44.7
162.91226	6.5
224.76431	9.7
231.37169	7.3
237.09795	21.8
238.07275	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	239.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31870	0.3
55.72600	0.3
57.03305	0.3
59.01252	7.4
62.43975	0.3
65.66531	0.3
70.73546	1.0
74.98946	9.1
75.33235	0.3
75.96100	0.5
75.98898	0.4
80.30817	0.3
85.02805	0.4
87.00753	1.4
91.02088	9.2
92.02034	0.5
93.00011	6.0
94.41257	0.3
117.01828	0.5
125.02353	0.4
141.06308	0.3
149.00856	5.0
161.04445	1.3
179.05525	6.4
195.13811	0.4
199.94284	0.3
206.99648	2.9
210.90828	0.3
223.02789	100.0
224.02829	12.0
232.58797	0.3
239.05943	0.9
239.12759	0.7
241.03860	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	231.1598
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
51.79521	0.2
57.03323	1.4
58.63916	0.2
59.01247	0.3
60.34526	0.2
69.30084	0.7
69.30508	1.0
71.04928	0.2
76.44685	0.1
80.44987	0.2
81.53128	0.2
85.02842	0.2
87.04397	0.4
87.42678	0.2
89.86021	0.1
124.57908	0.2
125.09605	0.2
127.11189	2.3
128.11560	0.2
130.62497	0.2
134.03627	0.4
155.14316	0.7
167.14299	0.4
171.10184	4.7
172.10469	0.3
183.13823	0.6
185.15402	0.4
185.78648	0.2
195.13840	0.5
199.77332	0.2
205.07210	0.2
211.13417	0.2
213.14894	4.1
214.15250	0.4
229.14427	3.2
231.15979	100.0
232.16321	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	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79992	2.3
57.03310	3.8
59.01249	40.8
61.99980	2.5
67.01762	3.0
67.65256	2.5
71.01255	18.5
71.56028	4.6
73.02823	4.3
74.58372	3.0
82.41856	2.6
83.04886	3.6
85.02809	6.2
87.00748	4.6
87.12695	2.2
93.03334	5.3
96.95893	8.6
99.00734	15.9
101.02299	4.6
102.06966	2.7
111.00758	7.3
117.89073	2.5
125.03434	2.7
129.01802	8.0
132.99538	16.0
139.07564	3.4
143.04539	5.4
153.06551	6.2
173.04477	4.6
173.08080	6.2
203.09145	5.9
215.09180	8.5
232.92450	4.2
233.01108	3.6
233.10359	22.5
233.15427	100.0
234.09756	4.3
234.15775	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	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42690	0.4
59.01249	64.0
59.96591	0.6
60.01584	1.0
60.97382	0.6
67.88416	0.4
74.98939	5.8
75.00741	1.1
91.02088	0.9
93.00005	6.2
98.19765	1.1
113.54759	0.4
126.53073	0.4
130.28374	0.4
134.99295	7.7
136.97215	2.8
143.05280	0.5
149.00862	74.6
150.00835	5.1
150.98784	0.9
152.96637	0.4
159.08359	1.7
161.06331	4.6
167.01949	0.5
172.97662	0.6
188.98500	6.7
190.98660	0.7
196.63034	0.4
201.03862	0.6
215.05598	0.9
217.07158	95.2
218.07286	11.9
232.97493	4.1
233.10295	100.0
234.10443	11.4
234.15814	0.8
235.08289	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	235.061
Annotation	Orthosporin
Peak:m/z	Relative Intensity
57.90617	0.2
65.00195	0.6
65.01292	0.3
68.02412	1.1
69.96474	1.3
71.01258	0.3
81.03321	1.5
96.95846	0.3
98.19878	0.5
101.02325	0.2
103.05406	0.7
105.03337	1.2
107.01268	1.1
108.02020	1.4
118.04100	0.3
119.04905	0.5
123.04401	10.5
124.04740	0.3
145.02820	0.4
146.03635	5.9
147.04417	6.0
148.04828	0.5
149.02341	4.9
150.02757	0.3
172.01443	0.3
173.02435	0.3
190.02640	25.6
191.03416	70.8
192.03777	5.1
208.06044	0.3
217.05011	0.6
235.06078	100.0
236.06424	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.98151	0.2
54.97033	0.2
57.03320	1.9
59.01231	0.2
66.28235	0.2
68.06239	0.2
70.10404	0.5
70.10824	0.7
71.04887	0.9
78.22429	0.2
83.04881	0.6
84.02042	0.4
85.02830	1.0
97.06473	0.9
117.90535	0.2
123.08058	0.3
125.09615	5.3
126.09921	0.3
127.11176	5.9
134.93991	0.2
153.12762	0.5
153.75056	0.2
155.14352	2.7
165.12784	1.1
167.14342	2.5
168.14725	0.2
171.10187	0.5
183.13911	1.0
185.15359	0.4
192.05432	0.2
209.11737	2.4
210.12172	0.3
211.13361	4.1
212.13678	0.5
215.61223	0.2
229.14404	100.0
230.14757	8.4
230.17058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.54044	0.3
57.03320	1.4
59.01244	0.4
65.01305	0.5
66.00853	0.4
69.43613	2.7
71.04887	0.8
74.02325	0.4
82.04018	0.3
83.04901	0.7
84.48815	0.3
85.02819	0.8
90.77011	0.3
95.95088	0.6
96.95918	0.5
97.06439	0.6
98.19794	0.7
106.03996	0.4
118.96018	0.3
120.05505	0.4
125.09630	3.0
127.11178	4.2
132.05557	0.5
133.03978	0.3
134.03510	0.4
136.07790	0.4
155.14305	2.0
165.12746	1.0
167.14313	1.1
171.10181	4.2
173.64523	0.3
183.13841	1.2
200.12804	0.4
201.05238	0.4
202.07495	0.5
209.11812	2.8
211.13429	6.6
212.13676	0.5
229.05235	1.3
229.14401	100.0
230.14734	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	230.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.4
69.96580	1.0
71.01273	0.2
79.95630	0.2
85.02821	0.2
88.90353	0.2
91.01792	0.2
92.02082	0.2
92.02502	0.9
93.03346	1.1
95.01255	1.9
96.95896	0.4
97.24554	0.2
108.02061	1.5
110.97453	2.8
113.96232	0.2
115.31219	0.2
117.85545	0.2
119.01245	0.2
136.01561	14.8
137.01904	0.6
151.03914	100.0
152.04253	5.6
160.04999	0.2
171.06511	0.2
173.04486	0.3
176.01695	0.7
187.07463	0.2
191.05507	1.0
196.52528	0.3
204.04816	0.4
219.03693	0.3
229.91612	0.2
230.99640	15.7
231.10297	0.4
231.12270	0.4
232.00061	1.0
232.06326	0.2
247.05418	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	227.1285
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.01757	0.3
60.43025	0.2
65.43813	0.3
71.04874	0.3
71.44704	0.5
76.79336	0.3
80.02544	2.6
81.03339	1.8
83.01258	0.4
83.04892	7.7
83.05366	0.5
84.02036	3.5
95.04902	1.1
97.06417	0.4
102.58474	0.3
107.04887	0.3
124.10415	0.2
125.05984	0.9
125.09564	0.3
135.08038	1.0
147.11612	0.6
163.11198	6.2
164.11530	0.4
165.12750	4.9
166.13097	0.3
181.12242	1.1
191.10695	1.4
194.97647	0.3
195.31636	0.3
207.82515	0.3
208.95692	0.3
209.11763	100.0
210.12108	10.4
227.12823	3.0
228.13097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.53069	0.2
57.03325	1.3
67.01765	0.4
69.03334	0.4
70.06997	0.7
71.04888	0.5
73.16925	0.2
78.68152	0.2
80.20570	0.2
83.04892	0.6
84.02023	0.5
85.02813	0.7
89.80296	0.3
97.06490	0.2
108.88088	0.2
121.10339	0.2
123.08019	0.3
123.15152	0.2
125.09619	2.9
127.11168	4.3
137.21283	0.2
143.10687	0.3
155.14313	0.8
165.12761	0.8
166.13094	0.3
167.14346	2.8
171.10191	4.0
176.55434	0.3
180.78122	0.2
183.13824	1.8
193.12257	0.8
202.56305	0.2
209.11769	3.4
211.13345	10.8
212.13702	0.9
229.14406	100.0
230.14743	8.4
235.67979	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	227.1283
Annotation	(-)-12-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
53.00196	0.6
57.03325	5.0
58.84561	0.4
59.01239	1.4
60.59234	0.4
63.45555	0.4
69.03326	2.5
71.28965	0.8
76.10064	0.4
79.01735	0.6
80.02537	0.4
81.03331	2.1
82.39317	0.4
83.04894	6.2
93.38093	0.4
95.04900	4.2
97.06466	24.6
98.06812	1.0
107.03497	0.5
109.02796	0.5
109.06461	1.0
121.06478	0.4
123.08026	1.1
125.09616	0.6
126.15105	0.4
133.10132	3.6
135.08047	1.3
149.09642	2.7
151.11183	100.0
152.11522	7.5
165.12752	1.3
171.04411	0.5
177.09192	1.5
178.62355	0.4
183.13828	3.7
191.07002	0.8
195.10187	11.1
196.10596	1.2
199.03975	0.6
199.13329	1.0
205.93195	0.4
208.93478	0.5
209.11777	11.5
210.12143	1.4
213.11273	4.4
227.04855	5.1
227.06885	0.8
227.09308	1.1
227.12837	18.2
227.16270	2.2
227.20070	5.7
228.13069	2.2
228.20592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35623	0.4
69.53238	1.7
71.04874	0.5
77.21568	0.4
80.02533	1.9
81.03323	1.5
83.01255	0.5
83.04892	7.0
84.02037	3.0
95.04884	0.8
97.35658	0.3
98.20578	0.6
125.05962	0.7
125.09592	0.5
132.23907	0.4
135.08037	1.0
163.11174	5.2
164.11566	0.4
165.12741	3.9
181.12276	0.9
191.10693	1.6
209.11768	100.0
210.12091	10.6
227.12830	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	227.1285
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
50.49525	0.7
52.67022	0.8
57.03313	2.7
59.01247	2.4
65.01308	1.5
70.23273	1.3
70.23686	2.5
71.04877	1.0
72.85962	0.8
74.96603	0.7
80.02546	1.0
81.03304	0.9
83.04902	4.2
84.02038	1.2
88.62040	0.7
91.02894	0.8
94.79657	0.7
95.04893	1.6
96.95841	1.2
97.06445	1.9
98.20461	1.0
106.04005	1.3
111.08028	3.9
133.03947	1.0
137.09612	0.8
139.11124	0.9
157.05054	2.1
163.11263	3.5
165.12759	23.8
166.13074	2.2
181.12306	1.1
183.13820	26.9
184.14174	1.8
191.10703	1.1
195.77927	0.8
199.13345	1.6
201.07729	1.2
209.11766	49.9
210.12094	4.2
227.03317	1.2
227.12834	100.0
227.16484	4.4
227.20108	8.4
228.08800	2.0
228.13188	9.6
228.15672	1.2
228.16127	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	227.1284
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
59.01226	0.3
66.53317	0.2
71.06482	0.7
76.03490	0.3
83.04876	0.8
84.01997	0.5
106.83078	0.2
111.08024	1.0
111.08813	0.2
140.92679	0.3
165.12764	19.5
166.13124	1.5
183.13826	100.0
184.14204	8.3
188.34790	0.3
209.11790	7.9
210.12178	0.4
224.87491	0.3
227.12852	16.8
227.16418	0.6
227.20175	1.2
228.13167	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	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.2
59.01253	12.1
65.01289	1.3
66.87315	1.0
69.03329	1.9
71.04901	0.8
71.06686	1.8
73.02821	13.3
80.02541	1.6
81.03326	5.3
83.04899	4.2
84.02032	2.3
85.02805	1.1
85.87601	1.1
93.03338	2.4
95.04919	3.0
97.02823	12.3
99.00738	1.2
106.04015	1.7
107.04931	1.6
109.02847	1.5
109.06477	35.7
110.03622	3.4
110.06793	1.6
110.97129	0.9
111.00771	1.1
111.04401	1.0
115.02810	1.1
120.05556	1.0
121.06489	3.3
123.04393	1.2
125.09655	1.3
135.08046	5.9
136.05220	1.7
137.09698	1.4
142.02641	5.1
145.10223	1.0
152.08392	1.4
153.12805	1.5
156.05623	2.3
157.05119	1.5
161.09641	2.2
163.11205	28.6
164.11513	2.3
171.06708	1.6
172.05109	1.4
179.10728	1.9
181.12268	70.5
182.12613	5.3
185.07025	1.8
189.09154	1.6
195.03029	1.0
197.11874	1.5
198.07907	2.3
199.06317	2.3
203.09709	0.8
207.10213	93.7
208.10577	8.5
210.05226	1.3
225.11301	100.0
225.14952	4.6
226.07230	1.4
226.11647	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	225.1127
Annotation	Chloriolide
Peak:m/z	Relative Intensity
57.03284	0.6
59.01244	5.1
65.00108	0.6
69.03279	0.7
71.04858	0.6
71.18166	1.4
73.02782	1.2
76.14864	0.5
80.02488	0.9
81.03282	2.2
83.04834	1.8
84.01987	1.4
85.02775	0.9
88.59498	0.5
93.03281	2.0
97.02831	10.2
99.00729	1.1
101.02278	1.0
107.04871	1.1
109.02792	0.6
109.06476	20.1
110.03618	4.1
110.06741	1.0
118.94491	0.6
121.06461	0.9
123.04359	1.0
125.05903	0.8
125.09579	0.9
135.08026	3.1
136.05159	1.6
137.02313	1.1
140.51007	0.5
142.02621	5.7
151.64688	0.5
152.08319	1.2
161.09627	1.2
163.11183	17.0
164.11502	1.1
178.83336	0.7
179.10609	1.2
181.12271	13.7
181.15778	0.6
182.12602	1.1
189.09059	0.6
195.02943	0.6
197.11784	0.9
207.10201	79.0
208.10555	7.5
208.14955	0.5
210.05373	0.7
212.63228	0.6
225.11285	100.0
225.14943	2.6
226.11641	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	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31826	0.2
59.01254	2.3
59.80799	0.3
61.18153	0.3
62.96924	0.3
69.03288	0.5
69.34219	0.6
69.34641	2.1
71.04882	0.5
78.63185	0.2
83.04884	0.7
84.02049	0.5
89.89749	0.2
93.03352	0.4
95.04913	0.4
95.79340	0.3
97.02826	12.0
97.06462	0.6
98.03166	0.3
99.00749	3.6
103.84386	0.3
106.04075	0.5
108.61552	0.3
109.06476	6.2
110.03616	4.7
110.06799	0.4
111.04417	0.6
111.85632	0.3
121.06487	0.7
123.04370	0.7
125.09583	1.1
135.08073	2.1
136.05206	2.7
142.02623	4.7
145.10109	0.8
151.07599	0.4
153.12617	0.3
157.14452	0.3
161.09586	1.1
163.11189	11.6
164.10300	0.3
164.11528	1.4
172.05043	0.3
179.10669	1.4
181.12257	32.2
182.12610	2.2
189.09142	0.9
197.11792	1.3
207.10199	77.8
208.10542	7.5
210.05318	0.3
225.11273	100.0
226.11610	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	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03310	1.5
57.82812	0.9
59.01249	8.4
69.03333	8.8
69.26989	10.8
71.04887	2.8
75.42653	1.0
83.04913	1.5
85.06495	1.5
87.81174	0.9
88.41747	0.9
92.86262	0.9
95.04887	2.0
98.75890	1.1
108.05710	1.1
109.06506	1.5
125.09590	1.6
135.11751	1.4
141.09029	1.2
149.09566	1.7
161.13240	1.0
167.10704	10.6
177.12794	1.6
179.10672	3.9
179.14343	8.7
195.13834	30.3
196.14108	2.7
205.12270	23.4
205.14049	1.8
206.12564	2.7
223.13341	100.0
224.13718	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	225.1126
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.95724	0.8
56.21743	1.0
59.00979	1.4
59.01252	12.3
69.03329	1.3
69.28777	9.0
73.02808	1.4
77.37422	0.8
80.02547	1.0
81.03334	3.0
82.07104	1.0
83.01266	0.8
83.04903	3.6
84.02054	1.6
85.02837	1.1
93.03323	3.1
95.04895	1.8
97.02827	11.6
99.00754	1.6
99.24169	0.8
106.04078	0.8
109.02827	1.0
109.06476	28.9
110.03609	4.6
110.06809	1.0
121.06524	1.9
121.92170	2.5
123.04401	1.9
131.78975	0.9
135.08008	4.2
136.05197	2.9
137.02318	2.1
137.09575	0.9
141.91084	1.0
142.02621	6.2
151.11282	1.1
152.08293	1.9
153.12766	1.1
161.09612	2.4
163.09827	1.1
163.11192	20.0
164.11540	2.1
165.91327	1.1
177.46768	0.8
178.83333	0.9
179.10686	1.5
181.12251	15.4
182.12526	2.0
183.92271	1.4
189.09137	2.2
195.02876	1.1
197.11635	1.0
207.10196	77.1
208.10504	7.6
225.11273	100.0
225.14893	3.2
226.11617	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	221.1541
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
50.44180	0.1
55.73174	0.1
59.01245	0.9
70.10182	0.5
87.36883	0.1
122.19161	0.1
127.07541	0.8
148.05116	0.3
149.05884	0.4
151.07544	0.5
164.08344	2.2
165.09039	0.4
205.12308	1.6
206.12643	1.0
207.13849	1.1
220.14624	4.1
221.15404	100.0
222.15744	10.7
235.13322	0.9
236.13580	0.1
239.27917	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	223.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62469	0.1
59.01248	1.8
59.96589	0.9
61.98691	0.3
66.27037	0.1
69.39593	1.4
71.01251	0.5
72.28542	0.1
73.02814	0.2
74.98942	12.4
75.96095	1.0
75.98905	0.4
85.02805	0.2
85.19296	0.1
93.00007	13.3
93.99953	0.4
94.94900	0.1
101.02289	0.4
108.02105	0.1
117.45618	0.1
126.98380	0.2
135.04443	0.2
135.79906	0.1
139.77231	0.2
141.01604	0.2
149.00867	13.4
150.00899	0.7
150.98804	0.8
151.05988	0.1
159.61411	0.2
163.05948	0.2
165.01897	0.2
184.80791	0.1
193.01324	0.5
195.13757	0.2
206.99643	5.5
207.99724	0.7
208.03642	0.6
208.97675	0.2
223.02782	100.0
223.13287	1.5
224.02824	14.3
225.00792	0.2
241.03845	4.1
242.03824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14613	0.5
57.03307	1.5
59.01249	7.2
63.22682	0.6
69.03318	7.5
70.03622	0.7
71.01237	0.8
71.03996	1.2
71.04882	2.3
79.79237	0.5
83.04877	1.2
85.06461	1.6
90.05756	0.5
93.03374	0.8
95.04887	1.3
101.02235	0.6
107.04914	0.6
109.06472	1.4
111.08041	0.5
123.08023	0.6
125.09610	1.0
135.11705	1.3
139.90118	0.6
141.09148	1.2
149.09605	2.0
161.13248	1.1
166.06322	1.2
167.10695	10.4
168.11006	0.7
177.12752	1.3
179.10701	3.6
179.14334	9.9
180.14682	1.0
180.59599	0.6
195.13832	29.0
196.14172	2.3
205.12263	24.7
206.12643	1.9
223.02713	1.4
223.13339	100.0
224.13658	10.0
234.63722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63200	0.5
59.01254	5.3
69.44128	4.2
69.44455	0.8
71.01244	1.9
73.02821	1.3
75.26018	0.4
85.02810	0.7
86.82901	0.5
87.00757	0.9
87.02602	2.3
92.62683	0.5
97.35077	0.5
101.02322	1.3
102.67036	0.5
113.02294	1.1
125.92709	0.5
131.05257	2.0
132.05396	0.7
133.06824	100.0
134.07190	5.0
161.09666	0.6
178.06227	0.6
179.10661	1.1
201.48203	0.5
203.10649	1.0
206.09409	1.1
221.08464	21.4
221.11761	3.2
222.08643	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	214.1079
Annotation	(+)-Monascumic acid
Peak:m/z	Relative Intensity
55.01774	1.5
57.03332	3.1
65.01275	1.1
66.03366	1.2
69.49433	8.7
72.04414	21.0
83.01239	1.6
90.95001	1.1
100.03931	1.4
101.02720	1.1
116.95798	1.0
125.52341	1.0
126.67707	1.0
127.88642	1.1
140.10693	7.0
142.12279	100.0
143.12622	5.4
144.00807	5.3
168.10207	41.6
169.10518	2.6
170.11780	36.1
171.12141	2.4
214.07457	1.5
214.10791	27.9
214.15147	1.4
215.00934	32.3
215.09134	1.9
215.11041	2.1
233.48450	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	218.1028
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
57.25217	0.6
57.49137	0.5
59.01242	2.3
71.01251	11.9
71.04893	15.6
71.11754	1.0
72.00774	0.9
88.03914	100.0
89.03700	0.6
89.04244	2.5
99.04394	6.5
116.07029	3.1
125.99788	0.6
129.05470	1.4
140.95554	0.6
146.08128	54.7
147.08450	2.5
218.10269	17.7
219.10608	1.6
219.17448	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	221.0815
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
50.77922	0.7
52.00446	0.8
59.01250	9.6
65.02661	0.7
69.03326	46.5
71.01260	1.6
71.04890	100.0
71.38046	1.5
72.05228	3.1
75.02258	2.0
85.02790	1.3
87.48200	0.8
93.03345	2.6
107.04897	3.4
113.02337	1.1
121.02842	46.5
122.03207	2.8
122.91485	0.7
123.14783	0.8
134.03630	18.9
135.04388	1.0
147.00758	5.7
147.08069	3.3
149.09630	9.2
163.88232	0.8
165.01840	3.7
175.07576	1.4
177.09103	12.4
190.99815	2.5
193.08650	2.4
221.08170	25.3
221.11801	3.0
221.15401	1.3
222.08321	2.6
234.15654	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	213.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13950	0.4
55.01765	2.3
55.33779	0.4
57.03318	2.5
57.50585	0.4
59.01248	1.3
61.99703	0.4
65.01302	1.4
66.03362	0.9
67.72475	0.4
71.01236	0.4
71.04893	0.6
71.58144	0.4
73.02808	0.9
73.95250	0.4
81.03342	1.0
83.04898	0.6
87.00782	0.7
87.04410	1.0
93.03337	0.4
94.04126	1.8
95.04875	0.6
97.06493	0.4
106.04018	0.9
109.06486	2.8
111.39615	0.5
119.08530	0.6
120.05682	1.8
121.06461	0.8
125.09595	0.7
133.06430	0.4
135.08054	21.9
136.08400	1.7
137.09624	100.0
138.09949	6.7
144.05522	0.4
151.07565	0.8
168.91025	0.5
169.08578	0.6
169.12260	1.1
171.06699	0.9
181.08632	1.3
183.13879	0.6
185.87711	0.7
186.06682	0.8
187.06181	0.9
194.99316	0.5
195.10132	0.5
195.13867	1.0
213.03337	0.6
213.05551	0.8
213.07455	0.5
213.09213	0.9
213.11295	6.2
213.14877	7.8
213.18338	2.2
214.07286	0.6
214.11496	0.6
214.15187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1126
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03327	0.3
59.01256	0.6
65.01335	0.3
65.16512	0.3
69.03318	0.5
69.68230	0.3
71.21825	0.8
97.06485	1.1
126.39922	0.3
131.03572	0.4
151.11191	12.0
152.11555	0.9
169.12254	100.0
170.12601	6.2
183.13818	0.7
186.06647	0.4
187.06172	0.7
195.10199	0.9
195.13765	0.3
213.11258	14.8
213.14618	2.5
213.18495	0.6
214.11638	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.24562	0.3
59.01246	3.5
61.98684	1.0
65.01324	0.3
69.03322	1.2
74.62049	0.3
83.04896	0.7
103.91901	0.8
121.02840	0.3
143.53017	0.3
148.88425	0.3
155.10670	0.4
160.50215	0.3
165.12772	0.6
166.90981	4.5
166.93732	2.0
167.10660	1.2
167.14256	1.4
183.13821	14.0
183.87601	0.4
183.92314	0.5
184.14162	1.2
193.12248	3.7
194.12587	0.7
210.90004	1.2
211.13329	100.0
212.09239	0.3
212.13664	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	211.1333
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.03324	0.6
59.01247	3.1
60.24059	0.3
61.98681	0.7
67.01756	3.0
69.03297	0.5
71.01266	0.3
71.57475	0.4
71.57851	0.3
73.35493	0.3
78.95754	0.4
81.66830	0.3
83.04891	1.0
85.06445	0.7
103.91902	1.2
109.06506	0.5
121.02872	0.5
123.08057	0.8
124.89310	0.7
125.02399	0.3
125.05996	0.4
125.09613	5.2
136.89925	0.4
137.02348	0.5
149.09613	0.3
151.11235	0.4
152.04558	0.4
156.93846	0.6
165.12680	0.3
166.90993	3.6
166.93709	1.0
167.06009	0.6
167.10638	0.4
167.14330	4.7
181.01408	0.4
183.13788	1.8
193.12283	0.4
196.03671	0.6
205.90709	0.3
210.89975	1.0
210.92999	0.4
211.13332	100.0
212.13695	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01380	0.3
50.03170	0.3
59.01247	1.4
65.01318	0.5
66.03362	0.3
69.53861	2.2
71.01243	0.8
78.95789	0.9
80.02547	2.5
80.60719	0.3
81.03326	2.0
83.01257	0.4
83.04900	8.0
85.02817	1.5
93.03318	0.5
94.02901	0.5
95.01307	0.3
95.04892	1.3
96.95901	0.5
97.06474	0.4
98.19753	0.4
109.06482	0.6
121.02848	12.3
122.03163	0.8
124.03909	0.9
125.05954	0.9
135.08043	1.3
136.01558	0.4
155.03558	0.3
156.05563	0.9
161.02371	0.7
163.11198	8.0
164.11552	0.9
165.12769	4.4
181.05069	0.4
181.12291	1.4
182.04616	0.4
183.06699	1.6
191.10748	1.7
194.00304	0.5
209.04478	1.4
209.11768	100.0
210.07852	1.0
210.12131	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05835	0.3
55.66634	0.3
59.01246	1.1
59.69140	0.2
66.03351	0.3
70.97729	0.6
71.01238	0.5
80.02547	2.4
81.03327	2.6
82.02877	0.3
83.04895	9.9
84.05222	0.3
85.02827	1.0
93.03336	0.6
95.04893	1.7
97.06503	0.3
109.06482	0.6
121.01968	0.5
121.02850	10.6
122.03185	0.5
124.03929	0.5
125.05959	0.8
130.03986	0.3
135.08047	1.2
136.01422	0.3
144.65154	0.3
156.05576	0.7
163.11194	7.9
164.11497	0.7
165.12766	4.0
166.13203	0.3
181.12244	1.2
182.04575	0.4
183.06702	1.2
191.01865	0.4
191.10771	1.7
209.04494	1.0
209.11768	100.0
210.07733	1.0
210.12103	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
59.01257	0.4
62.09798	0.3
69.31188	2.2
69.31603	0.6
79.17142	0.3
80.02541	2.6
81.03328	2.0
83.04389	0.5
83.04893	9.3
84.00024	0.3
84.05197	0.4
95.04907	1.3
109.06453	0.6
121.02848	2.9
125.05952	0.7
135.08037	1.2
147.11679	0.3
148.79610	0.3
163.11209	7.0
164.11572	0.5
165.12752	5.2
166.13057	0.4
181.12230	1.2
191.10716	1.7
209.11766	100.0
210.12108	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	209.1177
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
57.03328	2.5
59.01248	100.0
60.01584	1.6
60.09661	0.4
65.94480	0.4
70.10484	1.2
70.10899	0.9
80.02541	0.7
81.03339	1.0
85.02856	0.4
87.42844	0.4
93.03336	0.5
95.04884	0.5
97.06474	2.7
98.19829	0.4
109.05774	0.4
109.06488	3.2
110.78201	0.4
121.02835	8.0
122.03139	0.5
124.03914	0.5
165.12761	4.2
180.93829	0.4
209.04503	0.9
209.11758	18.1
210.12111	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	209.1177
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
55.01742	1.1
57.03317	4.1
59.01250	19.1
66.03336	0.8
67.01740	0.6
67.28271	0.6
69.03312	2.3
71.01252	14.8
71.04874	1.0
73.02822	1.0
80.02538	2.4
81.03324	3.3
83.01254	10.4
83.04888	4.8
84.02026	1.6
85.02813	2.4
91.01704	0.6
92.99689	0.8
93.03332	2.3
94.02840	1.0
95.04902	3.7
97.06467	4.7
100.87724	0.6
103.91872	1.6
108.02059	0.9
109.06458	1.1
111.08015	1.7
112.01543	0.5
117.50089	0.5
120.02036	1.0
120.95031	1.5
121.02841	57.8
121.09004	0.5
122.03088	3.8
122.89316	0.9
123.08044	1.8
124.03939	4.7
125.02295	0.8
125.08724	1.2
125.09612	16.0
126.09962	0.9
134.03586	1.5
135.04378	0.6
135.08034	1.6
136.01472	0.9
136.55319	0.6
137.02274	1.1
137.05962	0.8
137.09647	1.0
144.00528	0.8
145.10101	2.4
147.08046	0.8
147.11720	3.1
149.09647	0.8
151.11179	19.1
152.11462	1.5
153.12727	3.0
161.09595	1.0
163.11208	9.1
164.11580	0.7
164.94043	11.1
165.12766	14.5
166.13049	0.8
166.94147	0.7
173.09627	2.2
177.09116	0.7
179.03354	0.9
179.10680	3.6
181.12257	26.9
182.12550	2.1
191.10692	15.0
192.11017	1.4
194.02095	0.8
194.05740	0.8
206.36630	0.7
208.93045	2.7
209.00758	0.7
209.04517	6.3
209.11761	100.0
210.12140	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
51.84939	0.5
53.77319	0.6
55.66522	0.6
59.01252	15.3
69.03310	0.5
71.56123	0.8
83.04900	1.1
85.02814	0.9
94.02840	0.6
96.95895	0.7
103.91900	1.0
120.02020	1.1
120.95033	0.9
121.02840	36.8
122.03180	2.2
124.03918	2.2
125.02221	0.5
125.64320	0.6
126.34205	0.6
147.67197	0.5
163.11157	1.1
164.94035	9.0
165.12749	0.6
181.12265	1.1
184.92067	0.6
194.02318	0.6
194.05821	0.7
208.93040	3.0
209.04536	3.9
209.11765	100.0
210.12111	10.2
214.94708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
50.33988	0.5
55.01747	2.7
57.03321	2.5
59.01254	3.8
69.03308	0.8
69.85604	2.3
71.04861	1.0
80.02542	1.4
81.03323	4.2
83.01255	30.6
83.04889	4.7
84.01570	0.9
84.02039	1.5
85.89676	0.4
91.01728	0.5
93.03342	1.0
95.04903	1.7
95.73814	0.4
97.06459	4.6
99.04405	0.7
106.04103	0.5
110.03646	0.4
111.08013	0.7
114.55628	0.4
121.02837	16.8
123.08049	2.5
124.03890	1.0
125.09607	24.7
126.09930	1.4
135.08057	2.0
147.11626	0.6
163.11192	9.7
164.11440	0.8
164.94044	2.6
165.12805	3.9
166.13155	0.5
167.10634	0.5
173.09648	0.7
178.15570	0.4
181.12270	1.9
191.10703	8.9
191.12381	0.7
192.11073	0.8
194.02194	0.4
194.52953	0.4
209.04567	1.7
209.11760	100.0
210.12100	8.0
222.53333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	Pulchellon
Peak:m/z	Relative Intensity
51.46438	0.9
54.58618	1.1
57.03315	4.8
59.01254	17.8
69.03328	30.9
71.04888	4.9
71.13641	1.6
71.13977	2.5
75.41792	1.0
83.04887	4.2
91.47202	1.3
93.03353	2.3
95.04884	2.7
97.06479	2.2
108.05717	1.1
109.06461	3.6
110.16794	1.0
111.08057	5.5
121.02847	24.7
121.10162	1.6
122.03158	1.5
124.03937	1.7
135.08049	2.3
139.07559	1.5
139.53615	1.2
141.49628	1.1
147.11653	3.4
153.09129	9.1
163.11188	5.1
165.09123	3.3
165.12755	24.6
166.13098	1.9
173.09552	1.8
181.10765	2.1
181.12259	26.1
182.12512	2.3
191.10709	29.8
192.11082	1.8
209.04283	1.8
209.11766	100.0
210.12129	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	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
57.03318	3.9
59.01253	18.7
69.03322	18.9
70.44730	1.6
70.45084	2.4
71.04883	2.8
72.69003	0.9
80.02561	1.1
81.03317	1.1
83.04897	5.9
85.02828	1.5
93.03333	2.7
95.04897	3.3
98.19922	1.3
108.05684	1.5
109.06467	1.7
111.08035	3.3
120.02068	1.2
121.02845	44.1
122.03178	2.8
124.03960	1.6
135.08047	2.7
139.07532	1.1
139.54895	0.9
147.11714	0.8
153.09097	5.2
163.11212	5.1
164.94044	7.6
165.09154	2.4
165.12764	15.2
166.13084	1.6
179.56398	0.9
181.12260	16.0
182.12553	1.6
183.06651	1.8
190.53934	0.8
191.10696	18.7
192.11002	2.0
194.02161	1.1
208.92984	1.6
209.04543	5.9
209.11772	100.0
210.07700	1.5
210.12120	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	209.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01114	1.4
57.03311	5.2
58.99473	100.0
59.01253	6.4
59.99378	1.3
59.99802	1.7
60.19535	1.4
60.97396	1.7
63.96104	2.9
68.99685	1.7
71.01244	12.8
71.56068	2.4
72.99177	10.6
73.01046	10.3
73.98176	5.3
74.98969	51.8
75.00729	2.2
75.28671	1.2
75.65121	1.3
78.20104	1.3
79.26836	1.3
79.95605	3.1
80.96381	3.7
83.01264	1.8
85.02821	37.2
85.62699	1.4
87.00734	10.1
89.02308	4.5
96.95876	4.2
99.00714	2.1
101.02326	2.9
103.02062	3.1
111.00758	2.2
112.98653	2.9
115.00143	1.3
117.97190	2.3
121.03188	37.4
122.03458	1.2
123.04446	1.3
124.03938	3.5
128.55199	1.2
129.01816	4.3
133.01318	2.6
134.37689	1.1
135.98221	4.8
136.99037	25.2
138.37746	1.2
142.99756	11.4
165.02275	1.4
173.00923	2.0
179.03461	1.6
191.01871	5.8
191.03722	5.9
191.28439	1.4
209.01170	1.8
209.02904	6.7
209.04811	21.1
209.11723	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33964	1.2
51.09364	1.2
53.35323	1.3
55.01735	1.1
57.03323	9.5
59.01246	13.2
68.99697	1.6
69.74779	6.3
71.01260	19.3
72.99181	5.3
75.00750	4.6
79.94331	1.1
82.13348	1.1
83.01256	1.5
84.02034	2.3
85.02823	100.0
86.03158	2.6
87.00746	3.6
87.33216	1.3
89.02331	10.6
96.95909	2.7
103.00272	1.7
111.00771	7.7
115.00297	1.9
118.69599	1.3
121.02820	2.7
124.03950	1.8
129.01823	8.1
129.48079	1.2
133.01324	10.7
137.02307	1.6
147.02887	4.3
165.05478	1.5
173.00960	2.0
191.01910	26.1
209.02957	29.2
209.04813	2.9
209.08176	1.4
209.11717	3.1
210.07715	1.8
213.41072	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	209.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25753	1.3
55.01755	2.8
57.03322	15.6
58.00456	1.8
58.99478	29.3
59.01249	30.0
61.38721	1.1
66.00848	1.9
68.99699	1.6
69.54821	9.5
71.01250	45.2
72.99174	13.5
73.01044	4.0
73.02789	1.8
74.98965	15.0
75.00732	7.0
80.96404	3.4
83.01255	4.1
84.02051	1.9
85.02821	100.0
86.03160	4.4
87.00746	15.3
89.02326	14.1
95.82111	1.3
96.95885	22.0
98.20521	2.6
99.00750	4.6
101.02318	10.8
103.00246	3.1
111.00743	7.4
112.98670	10.1
115.00275	3.9
119.03430	3.4
121.03194	11.0
124.03940	2.3
124.98717	2.3
129.01833	10.5
132.35191	1.4
133.01318	12.1
134.34871	1.2
135.04446	1.3
135.98241	2.0
136.99040	7.9
137.06046	1.3
142.99757	34.5
144.00150	1.6
147.02895	4.5
165.02170	8.8
173.00854	9.9
191.01921	20.6
191.03609	2.6
209.01146	6.0
209.02971	20.1
209.04810	8.6
209.06584	3.0
209.11813	3.2
216.31042	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	209.0296
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
55.01750	1.2
57.03320	11.2
59.01247	12.5
68.99684	1.2
71.01253	26.9
71.36945	1.6
72.11169	1.0
72.99178	6.8
75.00739	6.5
83.01252	2.8
84.02066	2.7
85.02822	100.0
86.03149	3.6
87.00755	2.0
88.57976	1.1
89.02316	8.1
94.02867	1.1
96.95890	1.7
101.02367	1.2
101.81863	1.0
103.00261	2.4
111.00766	5.8
115.00259	1.8
121.02906	1.7
124.03925	2.5
129.01830	7.2
133.01328	9.3
147.02931	4.8
150.03093	2.8
165.05444	1.1
173.00839	1.7
191.01892	27.3
191.03589	1.5
195.44370	0.9
209.02937	25.2
209.04607	2.8
209.11790	2.8
210.03247	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	207.0504
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
50.54459	0.2
52.50179	0.2
55.01754	0.5
57.03322	1.0
59.01250	1.9
69.03321	0.5
71.01250	3.1
71.04865	0.3
71.55791	0.3
72.99177	5.3
73.02818	2.0
75.01570	0.2
78.54116	0.2
81.03336	2.3
83.01254	0.6
83.04898	1.4
85.02822	13.3
87.00758	3.2
95.01270	0.6
97.02825	0.9
99.00761	5.0
99.04400	1.7
101.02320	5.5
108.02045	0.9
109.02132	0.5
109.02839	7.4
110.03124	0.3
117.01832	2.4
119.05193	0.4
123.00773	0.3
125.02303	1.4
127.03907	4.3
129.01831	11.2
130.02177	0.5
143.03391	0.4
147.02907	1.8
177.01826	0.6
189.03973	0.9
192.04208	0.7
207.05037	100.0
208.05360	5.8
208.09497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0503
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
50.27842	0.2
55.01744	0.4
57.03312	0.9
59.01242	2.4
60.44046	0.2
65.03791	0.3
69.03299	0.7
69.50790	1.6
71.01248	3.4
71.04932	0.4
72.99177	5.1
73.02815	2.6
81.03329	2.7
83.01269	0.6
83.04892	2.0
85.02818	16.3
86.03153	0.5
87.00747	3.9
95.01263	1.1
96.02031	0.3
97.02833	1.0
99.00156	0.5
99.00757	6.5
99.04397	2.0
101.02322	7.6
108.02032	1.2
109.02839	10.4
110.03158	0.5
117.01824	2.7
125.02329	1.6
127.03908	6.3
128.04213	0.3
129.01831	13.3
130.02185	0.3
143.03386	0.5
145.50995	0.2
147.02905	1.5
189.03990	1.2
207.05037	100.0
208.05376	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	208.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04448	2.1
57.03315	3.7
59.01242	5.6
70.89973	5.0
70.90323	2.6
71.01253	18.1
72.99169	2.9
75.00755	3.5
83.01258	2.7
85.02819	48.5
89.00829	2.2
89.02351	5.3
93.03345	6.6
96.95868	11.1
98.20490	2.6
102.05494	6.7
105.27635	2.4
116.43793	2.5
117.36359	2.2
119.04914	66.1
119.05731	4.6
120.05279	4.0
121.02853	3.9
126.40977	2.7
127.24768	2.1
129.01805	3.1
133.01306	4.2
147.02876	3.4
163.03911	100.0
164.04251	5.4
164.07021	3.3
165.02223	3.2
191.01894	12.0
208.09708	58.0
209.01189	4.6
209.02975	10.0
209.09921	3.6
209.11784	4.9
226.98079	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	206.0816
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
58.02847	38.1
59.01249	1.9
59.03188	0.8
65.99740	0.9
66.91565	0.6
68.17905	0.6
69.03387	0.6
70.02853	12.8
71.01260	1.4
71.57481	1.0
71.57868	0.7
72.00780	6.9
72.99191	2.1
85.02807	3.8
87.00762	0.8
91.05405	5.7
95.01279	0.7
99.00762	2.2
101.02325	1.7
107.01273	1.4
109.02841	2.7
109.03925	0.8
119.04961	0.9
127.03908	1.7
129.01825	4.1
135.00789	2.4
135.04434	2.1
143.03429	0.7
147.04419	38.8
148.04778	2.3
156.53502	0.7
162.09189	0.9
163.00290	2.7
164.07076	100.0
165.07425	5.4
177.01833	1.1
190.99811	5.8
192.00201	0.8
192.04225	1.6
206.02141	1.4
206.08151	33.8
207.05034	29.1
207.08379	2.8
207.10201	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	205.1591
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01238	0.4
61.98660	0.2
71.06341	0.4
73.87365	0.1
78.18390	0.2
85.02861	0.2
93.60033	0.1
117.03384	0.2
162.89279	0.5
171.48280	0.2
189.12782	2.2
201.79210	0.1
205.15912	100.0
205.94165	0.3
206.16254	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	206.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15666	2.3
57.03326	6.4
58.00451	3.2
58.02846	21.5
59.01249	46.3
60.01585	4.0
68.99680	11.3
70.59108	2.6
71.01254	23.6
71.13762	5.8
72.00769	6.3
72.01563	4.4
72.99184	35.8
73.02820	3.6
75.00763	16.0
80.96385	2.8
82.33006	2.4
83.01270	5.1
84.99179	6.0
85.02827	7.0
86.02337	4.6
87.00751	68.7
88.01093	5.0
96.95914	5.4
96.99213	2.5
98.05996	4.2
98.20516	2.9
99.00762	19.0
100.98688	9.8
101.02335	9.3
103.00240	11.4
108.93650	14.4
109.02832	3.3
111.00751	3.1
112.01109	2.2
112.98695	16.4
115.00259	6.9
116.00612	5.9
117.01789	3.8
118.03213	19.7
121.49100	2.5
126.02692	4.6
129.01831	21.4
130.99753	100.0
132.00124	4.4
133.01349	5.6
142.99768	10.2
144.00595	20.8
145.00192	2.8
145.01335	54.6
146.01620	4.6
157.01341	19.6
164.92606	13.8
176.02789	2.2
177.01839	3.2
206.04213	25.0
206.93590	3.3
207.03232	3.5
207.05003	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	7.7
58.00458	6.2
59.01250	68.0
60.99165	3.5
68.99689	16.4
69.80199	10.8
69.80610	6.9
71.01254	100.0
72.99179	49.1
73.02821	10.1
75.00748	48.6
79.80892	3.1
83.01255	9.8
84.99184	3.5
85.02823	4.3
87.00752	61.2
89.02306	8.2
96.99185	8.4
98.20454	3.7
99.00771	41.8
100.98698	7.9
101.02315	10.3
103.00235	11.9
105.69777	3.1
111.00779	16.9
112.98702	28.3
115.00259	77.4
116.00566	4.3
117.01810	15.8
124.98678	13.6
125.02317	4.9
127.00243	11.9
129.01828	21.9
130.82648	3.2
130.99762	26.9
133.06413	3.5
136.94955	2.7
142.99763	16.7
144.00439	4.5
145.01321	35.9
151.60645	2.9
154.99779	14.0
157.01266	8.7
173.00786	6.2
175.02374	7.7
201.00571	2.9
205.03362	4.3
205.12318	5.5
205.15863	11.1
206.04323	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	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44107	1.4
55.01755	7.9
55.54360	1.3
57.03328	4.3
58.00472	4.1
58.02850	12.5
59.01252	68.7
60.99189	3.7
66.09509	1.7
67.01760	3.4
68.99681	13.9
71.01254	85.9
71.04897	2.1
71.55575	1.5
71.55953	2.2
72.79870	1.6
72.99182	55.5
73.02811	12.3
75.00748	43.5
81.03341	3.3
83.01263	14.7
84.99245	1.8
85.02829	6.2
87.00752	63.0
88.98674	2.6
89.02325	8.2
96.17486	1.6
96.99202	9.1
98.02306	1.4
99.00760	39.7
99.04408	6.8
100.98676	5.5
101.02332	16.0
103.00256	12.5
111.00769	35.8
112.98695	30.0
115.00259	100.0
115.03898	3.1
116.00579	1.8
117.01822	15.5
118.03203	11.7
124.98672	10.6
125.02336	21.7
127.00285	9.8
129.01822	15.8
130.99762	51.5
131.03415	1.9
133.06873	1.7
142.99783	26.1
143.03403	2.4
143.06990	2.0
144.00565	16.0
145.01332	58.1
145.04980	2.8
147.02950	2.9
154.99756	15.8
157.01357	16.1
173.00850	6.5
175.02390	8.2
187.02475	2.9
205.03490	8.8
205.07195	3.7
205.08974	6.0
206.04276	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	204.0871
Annotation	Casuarine
Peak:m/z	Relative Intensity
50.35091	0.9
54.47587	1.0
55.01755	3.0
55.39274	0.9
57.03315	7.2
58.00466	1.6
58.02847	27.5
59.01247	34.6
59.42754	0.9
67.01747	3.3
68.31442	0.9
68.99683	4.5
69.03319	4.1
69.79918	3.3
69.80329	2.4
71.01248	48.9
71.04875	4.7
72.04411	3.8
72.99181	24.9
73.02827	9.5
73.03197	1.6
74.02340	2.6
75.00739	17.9
80.99772	1.0
81.03335	1.9
83.01260	6.4
83.04897	1.9
84.04411	5.9
85.02822	18.8
86.05988	1.3
87.00751	28.2
87.04414	1.0
88.03906	18.5
88.98682	0.9
89.02303	2.9
92.95844	1.2
96.99198	3.1
97.02813	2.3
97.99957	1.1
98.02347	1.1
98.06006	6.6
98.19814	1.3
99.00749	17.8
99.04397	7.9
100.03917	19.3
100.07559	1.9
100.98663	2.3
101.02319	11.5
102.05482	2.5
103.00244	4.0
105.01780	3.4
108.04417	2.3
108.94982	0.9
110.06000	2.9
110.27087	0.9
111.00764	25.6
111.68093	1.0
112.98689	15.0
114.05479	4.7
114.09134	3.0
115.00254	44.7
115.03876	2.8
116.01658	2.1
116.07052	16.1
117.01831	5.9
124.07566	3.3
124.98699	5.1
125.02332	27.3
126.05458	0.9
127.00260	5.1
128.07011	2.2
129.01822	7.9
132.06557	23.4
138.05499	4.2
140.07065	18.3
141.07335	1.4
142.08598	1.8
142.99759	10.4
143.03389	4.0
143.07057	1.4
144.06531	2.7
144.95381	2.0
145.01335	15.5
145.04916	1.8
146.04472	1.2
154.99782	9.0
157.01292	1.4
158.08125	41.9
159.08430	1.8
160.03987	3.1
162.07603	4.5
166.83200	3.5
168.06580	4.0
173.00822	4.0
175.02385	4.7
186.07628	17.8
187.02414	4.3
187.06030	1.3
187.07877	1.1
202.07124	2.2
203.79948	1.6
203.99081	2.5
204.02556	2.6
204.08710	100.0
205.03445	8.8
205.07101	2.4
205.09027	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	203.0819
Annotation	L-Tryptophane
Peak:m/z	Relative Intensity
50.88034	1.9
55.74773	2.1
59.01249	2.5
61.80773	1.9
70.48706	6.0
72.00774	23.3
74.02346	27.4
99.78426	2.0
116.04947	100.0
117.05289	6.2
130.06474	3.7
142.06514	24.6
147.80893	2.3
159.09178	21.5
163.66780	1.9
180.71754	1.8
186.05499	3.8
203.08195	63.9
204.06694	2.5
204.08507	6.8
206.84636	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	203.1281
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
51.99009	0.3
54.89520	0.3
57.03321	4.0
59.01234	1.3
59.96653	0.3
65.01319	0.7
65.99693	0.6
68.01276	0.3
69.03316	0.5
71.01237	0.4
71.57635	0.4
81.95244	0.3
85.02825	0.6
87.04390	0.9
91.02897	0.5
97.06467	1.3
99.08035	7.2
115.07510	0.3
119.58659	0.3
121.03997	0.3
127.11189	2.6
129.01808	0.4
132.05597	0.3
134.03435	0.6
139.11185	0.6
143.07048	2.0
155.10687	1.1
157.12228	1.9
167.10641	0.8
185.11754	6.4
186.12048	0.4
201.11267	4.4
202.11513	0.4
203.12820	100.0
204.13174	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	203.019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23629	2.8
57.03308	5.2
58.02592	4.2
58.02855	57.2
59.01247	7.6
59.97716	2.6
60.18243	2.7
60.99169	3.4
69.03329	57.9
69.87619	10.7
69.88056	5.5
71.01259	49.1
71.01613	5.2
71.52961	2.9
72.04385	4.2
72.99177	16.4
74.02363	3.3
75.00732	10.6
84.04428	10.0
85.02829	31.5
87.00737	15.0
95.01244	5.9
97.02240	4.8
97.02838	65.1
98.02335	5.1
98.05991	11.7
99.00749	4.4
100.03920	30.7
104.48486	3.1
105.01842	4.0
108.04455	6.4
110.05983	6.7
113.02324	5.5
114.05504	10.7
114.09142	3.2
115.00283	9.9
116.07069	32.6
120.90788	3.0
123.00765	3.1
124.07526	6.2
128.07072	4.7
129.01843	4.6
138.05466	8.1
140.07092	30.0
141.01816	15.8
142.08629	3.5
158.08148	49.7
162.07631	7.9
168.06641	4.1
186.07625	20.3
188.82567	3.1
202.98817	3.4
203.01926	55.8
203.03653	2.9
204.02921	3.2
204.06758	4.8
204.08708	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	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03322	14.0
57.28188	0.6
58.02830	2.0
58.03675	0.6
59.01250	44.5
60.01585	1.0
65.01310	4.9
65.99721	3.4
66.00832	1.0
68.01260	0.8
71.01250	14.5
71.04897	4.0
71.58516	1.3
73.02804	4.2
79.59357	0.7
81.04450	0.8
82.02843	0.9
82.03968	2.9
83.01247	1.8
83.04932	0.9
84.02027	1.0
85.02824	5.9
85.06508	0.7
87.04385	0.9
90.00842	0.7
91.02881	1.8
92.02432	1.2
93.04467	1.2
94.96265	0.8
97.06478	4.3
99.00748	1.2
99.04472	0.8
99.08033	31.5
99.92465	4.0
100.08355	1.3
101.02321	2.8
105.04468	1.8
106.03986	2.9
107.02418	0.7
108.02053	1.4
109.06480	1.3
112.01553	5.3
113.02320	4.0
115.07526	0.8
116.02471	1.0
118.03960	0.9
119.02389	1.8
119.24097	0.8
121.03975	1.4
121.05110	1.0
124.05151	0.8
125.09621	1.0
127.07549	3.1
127.11193	13.3
128.08380	1.1
128.11494	0.9
129.09123	8.5
130.04027	1.6
131.03516	1.0
132.01915	0.9
132.05544	5.9
133.03966	3.2
133.05032	1.5
134.03543	1.2
136.04958	0.7
137.09624	1.1
139.11191	42.6
140.11499	2.8
141.09103	6.4
141.93533	5.0
142.03972	1.3
144.05582	0.9
146.03453	1.1
147.05482	0.9
148.05064	2.1
155.10686	11.8
156.05602	1.0
156.11053	1.1
157.12257	17.4
158.05931	0.8
158.07159	0.8
158.12564	1.6
159.01434	1.3
159.06665	2.1
159.89261	1.3
160.05093	2.6
161.04529	1.0
162.05414	1.6
165.09129	1.3
173.04691	0.9
173.05988	1.0
174.06592	4.1
175.06113	5.0
183.10194	32.9
184.10530	2.8
201.02550	3.5
201.07715	4.1
201.11258	100.0
202.07344	2.6
202.11546	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	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
56.11312	0.7
57.03313	3.2
59.01248	9.2
65.01306	1.8
65.99732	1.4
67.01759	0.9
69.03315	1.7
69.66026	4.2
71.01235	1.2
81.03346	0.9
83.04891	2.0
85.02818	4.2
87.04378	2.7
92.02380	0.8
95.04895	3.1
97.06464	20.0
98.06761	0.8
99.08040	13.9
106.03975	1.5
109.06477	0.9
111.08016	1.0
125.05943	0.8
125.09595	0.9
127.11178	5.3
127.70760	0.8
131.03526	0.8
132.05603	1.1
133.03947	1.0
133.04955	1.0
137.09619	2.3
139.11188	9.9
143.07021	2.1
154.06534	1.6
155.10701	3.1
157.12184	1.1
160.05011	0.9
165.09042	1.6
170.05986	2.1
173.05913	1.0
174.06639	2.2
175.06120	1.2
181.08604	2.8
183.10184	11.9
201.11256	100.0
202.08665	3.2
202.11595	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	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
56.68893	0.5
57.03323	7.2
58.02844	1.9
59.01250	31.2
65.01318	3.1
65.99728	1.8
69.03326	0.8
70.46056	1.8
70.46409	0.9
71.04882	1.5
81.04456	1.0
82.03986	2.1
83.04891	0.6
86.75623	0.6
87.04387	0.6
91.02891	1.0
92.01286	0.8
92.02454	0.5
97.06477	0.8
99.92464	3.1
100.52117	0.6
105.04482	1.1
106.03994	2.5
107.02407	0.6
107.05991	0.7
111.08053	5.6
118.04015	1.0
119.02424	1.3
119.04800	0.7
120.05582	0.7
121.03980	0.6
121.05038	0.6
122.96767	0.6
125.09657	0.8
130.03984	1.5
132.05553	3.8
133.03998	2.2
133.05016	1.2
137.09642	1.8
139.11192	94.1
140.11519	6.4
141.93510	3.4
144.05592	1.0
146.03632	0.6
147.05527	0.7
148.05087	1.6
157.05070	1.3
157.12225	1.1
158.07100	0.7
159.01389	1.1
159.05473	0.9
159.06694	1.5
159.89314	0.7
160.01439	0.8
160.05049	2.8
174.03101	0.8
174.06589	3.7
175.06157	3.9
183.10191	29.5
184.10547	2.3
201.02576	2.9
201.07683	2.5
201.11259	100.0
202.07288	2.1
202.11584	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
52.52629	0.4
57.03311	1.9
58.00460	2.1
58.02828	0.6
59.01252	7.7
65.01311	2.6
65.99714	1.4
66.00848	0.5
68.01305	0.5
69.03334	1.0
71.04890	0.8
71.58298	0.5
72.99181	6.3
73.02824	0.6
82.03971	1.1
83.04891	0.5
85.02822	0.6
87.04382	0.6
91.02911	0.8
97.06476	0.6
99.92452	0.6
105.04467	0.8
106.03970	1.2
107.02409	0.6
107.08498	0.9
111.00731	0.5
113.02338	0.5
118.03984	0.5
119.02402	0.9
120.04398	0.5
121.02716	0.5
121.03957	0.7
125.09621	6.9
127.11182	11.5
130.03987	0.5
131.03465	0.5
132.05559	1.8
133.03947	1.5
133.04967	0.5
134.03485	0.5
137.09598	1.8
139.11159	3.1
141.01891	0.4
141.93539	1.0
148.05016	1.1
153.09117	0.9
155.10689	5.3
156.11053	0.5
157.12305	0.6
159.02940	1.1
159.05530	0.6
160.05124	1.1
162.05530	0.6
165.09151	4.6
170.95096	0.4
171.10175	4.0
174.02959	0.7
174.06639	1.8
175.06171	2.0
183.10193	10.3
184.10564	1.3
199.09676	3.6
201.11266	100.0
202.07487	0.9
202.11598	8.2
212.92879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1333
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
52.66270	0.3
57.03321	0.6
59.01237	1.4
61.62922	0.4
61.63256	0.4
62.81452	0.4
65.01308	1.2
65.99700	0.7
66.00831	0.4
70.33727	0.6
70.34112	1.0
71.01257	0.4
71.04871	0.6
73.02806	0.6
81.12906	0.3
81.30940	0.3
83.01245	0.4
83.04867	0.6
84.57895	0.3
89.01302	0.4
90.00824	0.4
91.02883	0.6
99.00758	1.7
99.08018	0.4
105.04462	0.6
106.03986	1.0
115.29121	0.4
116.02439	0.4
123.94589	0.4
130.03993	0.9
137.09633	0.8
145.04004	0.5
145.05035	0.4
146.03464	0.5
148.01422	0.4
153.12817	0.5
155.10687	3.9
156.89377	0.4
157.05060	1.0
158.03481	0.8
162.83818	5.5
163.11180	1.2
164.83528	4.0
169.12254	5.7
170.12631	0.5
171.06622	0.5
172.05054	1.2
173.04561	0.9
181.12251	21.6
182.12560	1.5
197.11789	1.8
199.06145	1.7
199.13322	100.0
199.17000	2.4
199.80447	4.1
200.05687	0.7
200.09590	0.5
200.13672	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	199.1333
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
51.37122	0.3
51.59292	0.2
53.13603	0.2
55.01755	0.5
56.16500	0.2
57.03313	0.9
59.01238	0.8
65.01311	1.2
65.99699	0.4
66.00805	0.3
69.03329	0.4
71.01238	0.4
71.04884	1.1
73.02795	0.4
81.04478	0.3
83.01226	0.3
83.04887	0.6
83.22484	0.2
89.01309	0.6
90.00861	0.4
91.02917	0.6
92.02431	0.5
99.00766	1.2
99.08036	0.9
105.04459	0.4
106.03987	0.8
109.06449	0.3
111.00752	0.4
111.08027	0.3
118.04044	0.3
119.02409	0.3
125.09612	2.1
127.03943	0.5
127.11175	4.1
129.04480	0.4
130.03993	0.9
131.03465	0.5
132.05550	0.4
133.05116	0.4
135.08011	0.3
137.09612	0.8
142.06552	0.3
146.03528	0.4
153.12749	1.5
155.10680	3.7
155.14270	0.7
156.04399	0.3
156.05621	0.6
156.89383	0.6
157.05087	1.1
158.03481	0.7
159.33749	0.3
162.83813	4.4
163.11159	0.5
164.83534	4.1
169.12233	0.4
171.08777	0.3
171.10243	0.5
172.04979	1.4
173.04630	0.8
173.08209	0.3
181.12259	1.0
184.72421	0.3
197.11784	1.6
199.06158	1.7
199.13324	100.0
199.80426	3.5
200.03271	0.3
200.13676	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	199.0969
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
64.96745	0.2
65.01311	0.3
69.49256	2.1
73.02815	3.4
85.02867	0.2
85.77762	0.2
123.03343	0.3
126.98420	0.3
135.08049	1.8
137.09622	8.9
138.09944	0.4
144.78148	0.2
155.10684	100.0
156.11023	7.6
173.04610	0.4
181.08627	0.4
199.06140	0.4
199.09708	5.3
199.13351	0.9
200.09853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0969
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
53.91837	0.4
55.01743	1.4
57.03318	1.6
58.00464	0.6
59.01252	2.6
63.18928	0.4
65.01311	2.0
65.99706	0.8
66.00843	0.9
67.01764	0.5
67.72684	0.4
69.03345	0.9
70.91761	1.2
71.01245	4.0
71.04892	1.6
71.44722	0.4
73.02818	9.6
83.04884	1.3
84.02034	2.1
85.02827	4.5
85.09563	0.4
86.03599	3.1
89.01337	0.8
91.02888	1.1
92.02352	0.5
95.04882	1.1
96.87159	0.4
96.95882	0.5
97.06466	5.3
99.00739	1.1
99.08064	1.4
105.04481	0.6
106.03992	1.3
111.00760	0.6
112.01549	0.8
112.05182	8.3
113.05478	0.5
115.07529	4.2
118.04003	0.6
121.31407	0.4
125.05910	0.4
125.09613	2.5
126.06712	0.6
127.07537	2.6
127.11172	5.8
129.01831	6.1
130.02614	37.2
130.04099	1.1
131.02916	0.8
134.03418	0.5
137.09613	12.7
138.09987	0.7
139.07550	0.6
142.77512	0.4
144.05504	0.5
146.03513	1.0
153.09105	1.8
155.10681	100.0
156.04332	0.6
156.11028	7.5
157.05089	1.3
158.03494	0.9
161.89362	0.5
162.01604	0.6
171.10201	2.5
172.05052	2.3
173.04523	0.8
181.08691	3.3
199.06085	2.5
199.09685	9.1
199.13396	3.0
199.17015	1.5
200.05685	1.2
200.09962	0.6
200.13554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60074	0.3
59.01233	2.1
61.98681	1.1
65.12668	0.3
67.91714	0.3
69.03310	2.0
71.01244	0.6
83.04893	1.0
87.67949	0.3
95.01244	0.8
97.02818	0.4
97.06487	0.4
98.20673	0.7
99.08065	0.4
101.52991	0.3
108.22125	0.3
109.02805	0.7
112.01461	0.3
116.92719	1.4
121.02843	0.4
123.00776	1.8
123.08054	0.4
125.02335	0.4
125.09649	0.3
126.90376	1.0
130.84099	0.3
137.02414	0.5
138.03133	0.6
141.09097	0.9
151.11165	0.9
153.01764	0.5
153.05434	0.4
153.09108	2.0
153.12743	4.5
154.91228	0.4
160.84125	12.3
161.84125	1.0
162.83818	33.8
166.99838	1.8
169.12251	19.2
169.13361	0.4
170.12570	1.3
178.99724	0.5
179.03397	0.4
179.10765	1.9
182.02139	3.8
196.81133	0.4
196.88573	0.3
196.98424	0.5
197.04512	0.9
197.11763	100.0
197.80724	17.3
198.07796	0.4
198.12111	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.41055	0.3
53.01712	0.3
54.36729	0.3
54.37061	0.3
59.01246	1.5
61.98694	0.5
62.08745	0.3
69.03325	2.3
70.33725	0.3
70.59914	0.7
70.60247	0.4
71.01221	0.5
83.04880	1.0
83.82793	0.3
95.01266	0.4
99.08069	0.4
109.02887	0.3
116.92736	0.8
121.02869	0.4
123.00764	1.4
123.08038	0.4
125.09608	0.5
126.90343	0.6
137.09631	0.5
141.09109	1.0
151.11198	0.8
153.05557	0.5
153.09125	1.5
153.12759	4.1
160.31694	0.3
160.84119	6.0
162.83821	15.4
162.95187	0.3
166.99763	1.1
169.12254	18.0
170.12570	1.7
171.06648	0.4
178.99817	0.5
179.10677	1.3
182.02133	2.2
187.62450	0.3
197.11766	100.0
197.80745	8.1
198.07561	0.3
198.12102	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01255	1.3
66.39027	0.5
68.93320	0.5
69.03329	2.5
70.54829	1.1
70.55140	0.6
71.01270	0.5
83.04899	1.2
123.00780	2.0
125.09644	0.6
141.09109	1.0
151.11147	0.8
153.09128	1.5
153.12737	4.0
157.05078	0.6
160.38287	0.6
160.84128	8.6
162.83827	24.1
166.99750	1.0
169.12260	18.1
170.12621	1.3
171.06714	1.6
179.10686	1.3
182.02127	2.4
197.11768	100.0
197.80734	15.2
198.07938	0.7
198.12115	9.8
200.28709	0.6
215.63681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77312	0.6
59.01250	2.8
61.98709	0.6
65.01306	1.8
69.03316	2.1
71.01260	1.0
71.57798	0.6
80.96363	0.8
83.04882	1.4
84.54575	0.6
85.02815	0.7
91.97205	0.5
95.01280	1.0
96.95892	1.6
99.78059	0.5
101.94057	0.5
105.04439	0.7
106.03987	1.4
107.05749	0.5
111.04366	1.2
112.01532	3.0
115.02971	0.6
116.02447	0.6
116.92688	0.8
121.02844	1.4
123.00735	3.5
123.08079	0.8
126.90344	0.7
130.03949	0.9
130.99194	0.6
131.03487	0.8
132.05519	0.6
137.02365	0.7
138.03070	1.2
141.09085	1.2
142.04048	0.8
142.43269	0.6
149.44795	0.7
151.11162	1.2
153.01833	1.0
153.05472	1.5
153.09094	1.7
153.12756	3.7
156.05562	2.2
157.05128	1.2
158.05878	0.9
160.84117	8.9
161.84012	0.7
162.83820	30.7
166.99832	2.9
167.10683	0.6
169.12260	18.9
170.06998	1.0
170.12619	0.9
171.06685	3.7
179.10699	2.3
182.02121	6.0
193.09871	0.6
197.04512	2.4
197.08215	4.0
197.11760	100.0
197.80716	16.6
198.03996	1.2
198.05908	0.6
198.07835	2.1
198.12076	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	197.1175
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.48950	0.4
55.01752	0.5
55.34470	0.4
57.03310	0.4
59.01242	1.2
61.98702	1.3
63.10284	0.4
67.25069	0.3
69.03332	1.2
71.04888	1.3
71.28902	0.8
75.11867	0.3
83.04905	0.8
95.01282	0.9
95.04897	0.7
97.06461	15.9
98.06805	0.7
99.00705	0.4
99.08036	5.3
108.71082	0.4
109.02844	0.9
109.06466	1.1
111.04372	0.4
111.08020	0.5
112.01517	0.5
112.03932	0.6
116.92706	1.9
121.02815	0.9
122.03648	2.3
123.00774	2.6
123.04388	0.4
125.02328	0.5
125.09612	1.1
126.03101	0.8
126.62962	0.5
126.90352	0.7
135.08022	0.5
137.02351	0.7
137.09615	1.7
138.03102	0.7
139.00290	0.4
151.11148	0.8
153.01759	0.5
153.05530	0.8
153.12750	100.0
154.13086	7.9
154.91151	0.8
157.05064	0.5
160.84131	7.7
162.83815	22.4
166.99767	2.2
169.12253	0.7
179.03429	0.4
179.10683	20.2
180.11032	1.9
182.02145	4.7
197.02034	0.6
197.04453	1.7
197.08130	1.5
197.11760	11.2
197.15334	1.1
197.78883	0.7
197.80734	12.7
197.90344	0.5
198.07675	0.6
198.12088	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	195.1383
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
51.70684	0.2
56.54893	0.2
59.01246	1.4
61.98696	0.8
66.03333	0.3
71.01279	0.2
71.43657	0.5
73.02827	0.2
75.59962	0.2
83.04889	0.2
85.02818	0.2
94.02856	0.3
95.04892	0.2
96.95908	0.4
99.94640	0.2
106.03990	0.5
108.02031	0.5
109.02872	0.2
109.06475	4.8
109.18617	0.2
110.02364	0.2
110.06782	0.4
111.08038	3.9
118.05846	0.2
121.02822	0.3
122.03616	0.7
123.00740	0.3
123.04417	0.5
123.08025	0.3
125.05966	0.2
125.09616	1.1
135.04449	0.3
135.06599	0.2
135.11728	0.4
136.05228	0.6
137.02336	0.5
138.06729	0.5
139.07539	0.4
150.03134	0.9
150.92491	0.4
151.07558	0.4
151.11191	0.8
152.91676	4.2
152.94418	0.7
158.84605	0.4
160.84126	20.0
165.01830	0.8
165.05487	0.8
167.03360	0.2
167.07191	0.2
167.14330	7.3
167.90436	1.4
168.14694	0.5
170.92738	0.3
179.10712	5.1
180.04266	1.1
180.11201	0.6
194.92957	1.4
194.95433	0.6
195.02895	0.5
195.06688	1.7
195.13838	100.0
195.81038	7.6
196.06090	0.4
196.14178	10.2
212.93774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0553
Annotation	Quinic acid
Peak:m/z	Relative Intensity
55.01749	0.3
57.03317	1.2
58.00478	0.5
59.01255	3.1
60.42676	0.3
65.99690	0.3
67.01761	1.0
67.44466	0.2
69.03311	0.8
69.67428	1.7
71.01250	2.5
72.66518	0.2
72.99188	0.4
73.02818	0.8
81.03323	0.9
83.01260	0.3
83.04897	0.9
83.05422	0.2
85.02819	29.4
86.03149	0.9
87.00747	7.3
92.85880	0.3
93.03324	8.1
94.03666	0.3
95.01254	0.3
98.20573	0.2
99.04390	1.0
101.02325	0.4
107.99237	0.2
109.02831	2.1
111.00759	4.3
111.04404	2.9
112.01080	0.3
125.02293	0.4
127.03892	5.6
129.01823	0.5
131.99268	0.2
137.02342	0.7
143.03404	0.3
143.46704	0.2
145.05031	0.3
147.04475	0.3
155.03288	0.3
163.00179	0.4
171.02950	1.4
173.04489	2.3
176.01071	0.5
191.05530	100.0
192.05869	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	191.0553
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03319	0.4
59.01242	2.3
67.01744	0.5
69.03327	0.5
71.01250	1.3
71.56129	0.4
73.02802	0.3
79.15825	0.2
81.03332	0.8
83.04893	0.5
83.54361	0.3
85.02819	15.3
86.03130	0.4
87.00746	2.9
93.03329	5.2
94.54989	0.2
96.93892	0.2
99.04430	0.6
99.21837	0.2
101.66460	0.2
109.02845	1.3
111.00722	1.2
111.04414	1.5
127.03896	3.0
137.02391	0.3
171.02890	0.8
173.04453	1.9
191.05536	100.0
192.05876	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	191.0554
Annotation	Quinic acid
Peak:m/z	Relative Intensity
53.98300	0.1
56.72937	0.1
57.03328	0.5
57.76770	0.1
58.00454	0.2
59.01249	2.8
60.99177	0.2
65.03847	0.1
67.01763	0.7
68.99682	0.1
69.03325	0.6
69.85432	0.5
71.01254	2.0
73.02814	0.9
77.45489	0.1
81.03331	0.7
83.01278	0.1
83.04896	0.8
85.02823	21.1
86.03175	0.5
87.00748	4.4
88.01086	0.1
93.03335	7.1
94.03667	0.3
95.01237	0.1
97.02842	0.1
98.20437	0.1
99.00769	0.3
99.04388	1.0
101.02335	0.2
108.02061	0.2
109.02836	1.8
111.00776	0.7
111.04410	2.7
113.02318	0.3
125.02351	0.2
127.03903	5.1
128.04225	0.2
129.01852	0.1
129.05428	0.1
137.02361	0.5
143.03416	0.2
145.04956	0.1
153.01886	0.2
155.03386	0.4
171.02905	1.3
173.04460	2.4
185.12733	0.1
189.03896	0.1
191.05537	100.0
192.05882	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	191.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.3
58.00441	0.3
59.01247	3.2
61.29719	0.3
67.01750	1.4
68.01298	0.4
69.03330	0.9
69.48024	1.3
69.48447	0.8
71.01251	2.5
71.22862	0.3
72.99178	0.3
73.02816	1.3
81.03332	1.2
83.04898	1.1
85.02822	26.4
86.03167	0.8
87.00751	8.4
93.03336	7.6
98.01686	0.2
98.19749	0.3
99.00758	0.4
99.04386	0.6
101.02317	0.4
104.70827	0.3
107.01270	0.3
109.02856	1.6
111.00763	11.2
111.04419	2.3
112.01024	0.3
113.02329	0.4
121.02811	0.4
127.03898	5.3
129.01837	1.0
134.03506	0.3
148.01469	0.3
148.05176	0.4
155.03374	0.4
163.00243	0.4
164.04620	0.3
171.02951	1.5
173.00803	0.3
173.04457	2.1
176.01053	1.2
191.05539	100.0
192.05885	4.7
199.01506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0342
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
50.35664	0.1
53.04475	0.2
57.03324	2.4
57.11123	0.2
58.02842	0.4
59.00965	0.3
59.01240	1.5
63.02258	0.5
65.00191	3.4
65.01299	0.6
65.99701	0.3
67.01755	0.7
68.90059	0.2
69.03333	0.2
71.01266	0.6
71.58591	0.3
72.02501	0.2
72.99178	0.6
73.02822	0.7
77.54499	0.2
79.05389	1.1
81.03324	9.1
81.04394	0.4
82.04009	0.2
83.01244	0.3
83.02390	0.4
83.04928	0.3
85.02820	14.6
86.03143	0.3
87.00748	16.3
88.01101	0.3
91.05415	0.4
93.03339	1.7
99.04376	0.3
101.02335	0.3
103.05412	0.6
104.02528	0.5
105.03341	1.4
106.03969	0.5
107.01267	0.7
107.05995	0.2
109.02834	0.4
111.00760	33.6
111.04374	0.4
112.01100	1.4
114.97198	0.2
117.01831	0.5
118.99191	0.5
119.04899	2.4
120.05539	0.2
121.02818	0.7
121.03971	0.4
122.03471	0.6
123.04404	5.5
124.04745	0.4
127.03957	0.9
129.01842	1.7
132.02025	0.5
132.05553	0.2
134.03516	0.2
135.04454	0.4
147.04419	7.7
147.08092	0.4
148.01593	0.5
148.04910	0.7
149.02342	13.7
149.04436	0.4
149.08212	0.6
150.02696	1.1
154.99767	0.6
163.03928	0.4
164.04573	0.5
165.28792	0.2
173.00827	0.9
173.04495	0.4
175.99683	0.1
176.01076	2.9
191.01974	4.0
191.03432	100.0
191.05479	18.6
191.10616	1.7
192.03795	7.5
192.05833	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	191.0344
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.84771	0.2
53.43515	0.1
57.03318	1.6
58.02840	0.3
59.01245	1.0
63.02260	0.3
65.00191	3.2
65.01318	0.8
65.99718	0.9
66.35594	0.2
67.01756	0.8
67.02888	0.2
68.01285	0.3
69.03315	0.2
69.26712	1.9
71.01256	0.6
72.99198	0.3
73.02821	0.8
78.79604	0.2
79.05401	0.6
81.03327	9.3
82.02885	0.2
82.03648	0.3
83.01286	0.2
83.04891	0.2
85.02826	11.9
86.03156	0.2
87.00751	11.4
88.01060	0.3
91.05419	0.2
92.04959	0.2
93.03333	1.8
94.02859	0.3
95.02396	0.3
98.20570	0.4
99.04381	0.3
101.02311	0.3
101.03875	0.2
101.18247	0.2
103.03842	0.2
103.05419	0.3
104.02517	0.3
105.03339	1.7
105.04455	0.3
106.04005	0.5
106.95039	0.2
107.01255	0.8
107.02407	0.3
107.04892	0.2
107.06071	0.2
108.02072	0.2
109.02835	0.4
109.03963	0.2
110.03517	0.2
111.00763	23.7
111.04429	0.6
112.01130	0.9
117.01837	0.4
118.96473	0.2
119.04922	2.2
120.05441	0.2
121.02811	0.5
121.03966	0.6
121.04814	0.1
122.03475	0.8
123.01977	0.2
123.04417	4.5
123.05456	0.2
124.04755	0.4
125.07408	0.2
127.03912	1.1
129.01860	1.4
132.02057	0.6
134.03511	0.4
135.04410	0.3
136.05032	0.2
137.03424	0.2
146.03534	0.3
147.04419	7.7
148.01550	0.4
148.04968	0.8
149.02348	13.3
149.04475	0.4
149.08212	0.3
150.02762	0.8
150.06573	0.2
154.99762	0.4
159.49010	0.2
161.04503	0.2
163.03883	0.3
164.04536	0.8
171.02950	0.4
173.00824	0.9
173.04488	0.7
176.01071	2.5
191.03439	100.0
191.05489	20.6
191.10551	1.2
192.03784	8.4
192.05826	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	191.019
Annotation	D-Galactaro-1,5-lactone
Peak:m/z	Relative Intensity
50.35157	0.1
57.03324	4.7
59.01250	0.4
63.91919	0.2
66.23857	0.2
67.01754	1.3
70.31564	0.4
70.31992	0.3
72.25460	0.2
77.96978	0.2
85.02823	25.7
86.03160	0.7
87.00750	38.3
88.01095	1.1
100.40027	0.1
101.02319	0.5
103.03879	0.4
111.00764	100.0
112.01104	4.3
115.56293	0.2
129.00864	0.4
129.01830	6.4
129.17113	0.1
130.98891	0.2
130.99762	0.8
147.02881	0.6
154.99789	0.7
156.59679	0.2
168.10501	0.2
169.69574	0.2
173.00832	2.3
174.01163	0.2
191.01906	13.4
191.05550	0.7
192.02328	0.5
197.01836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0189
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
52.52591	0.3
53.07016	0.3
57.03325	6.8
59.01242	1.5
67.01758	1.9
70.84821	0.7
70.85154	0.6
71.01247	1.8
73.02807	0.6
82.35421	0.3
83.01279	0.4
85.02820	34.0
86.03185	1.0
87.00748	47.9
88.01093	0.8
93.03374	0.4
101.02314	0.5
103.03874	0.3
111.00760	100.0
112.01103	3.6
112.98684	1.4
129.01825	5.4
130.99788	0.6
133.01372	0.3
147.02892	1.0
154.99812	0.8
173.00850	1.6
190.96536	0.4
191.01907	8.5
191.03471	0.5
191.05508	7.9
192.06038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0342
Annotation	Pisonin F
Peak:m/z	Relative Intensity
52.06160	0.2
56.32279	0.2
57.03314	1.1
59.01241	0.7
60.70344	0.2
60.97344	0.2
62.12092	0.2
67.01756	0.5
69.25346	2.4
69.82927	0.2
72.99163	0.3
73.02824	0.6
81.03353	0.3
85.02824	6.6
87.00750	9.4
93.03332	1.1
99.04431	0.2
105.03401	0.2
106.04106	0.3
111.00764	19.1
112.01101	0.6
117.01852	0.3
119.04919	1.6
121.02842	100.0
122.03166	5.2
129.01840	1.0
135.98199	0.2
147.04407	7.0
148.04817	0.6
154.99744	0.4
163.03946	0.5
164.04575	0.2
173.00787	0.6
176.01070	0.9
179.76070	0.2
191.01875	1.4
191.03458	6.5
191.05548	7.1
191.07074	0.4
191.10713	1.1
192.03757	0.6
192.05930	0.5
208.25449	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	187.0968
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
57.03326	3.8
58.03665	0.2
59.01267	0.4
65.01314	1.1
65.99718	0.8
66.00875	0.2
68.01274	0.2
69.03332	0.5
69.50657	0.2
70.98834	0.2
71.01247	0.3
71.04876	0.2
77.30134	0.2
80.02560	0.5
81.04469	0.2
83.04890	0.7
91.02895	0.8
92.02466	0.2
95.04890	0.9
97.06467	12.7
98.06818	0.6
106.04009	0.4
110.62224	0.2
118.02749	0.2
118.04023	0.5
119.02430	0.5
119.05978	0.2
120.05547	0.2
122.03550	0.2
123.08050	6.6
124.08339	0.5
125.09614	100.0
126.09951	6.7
130.03954	0.3
132.05554	0.4
133.03986	1.0
134.03479	0.5
142.04025	0.4
143.10677	2.0
144.04373	0.4
144.05577	0.3
144.11026	0.2
145.05110	1.1
146.03502	0.3
147.04327	0.2
154.00874	0.2
157.05115	0.3
160.05087	1.9
161.04565	0.3
169.08595	2.5
175.02435	0.2
187.06268	1.6
187.09686	39.9
188.05737	0.4
188.10034	3.2
188.11613	0.2
209.57756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72202	0.3
57.03319	7.1
59.01231	2.5
59.81454	0.4
67.01744	2.1
70.63771	1.2
70.64146	0.5
71.01257	2.4
73.02847	0.6
83.01272	1.0
85.02819	33.5
86.03158	1.1
86.48360	0.4
87.00745	47.2
88.01090	1.1
93.03334	1.0
101.02341	1.2
103.03831	0.4
109.02834	0.4
111.00758	100.0
112.01094	4.0
112.98693	2.7
123.91555	0.4
127.03911	0.8
128.21341	0.4
129.01819	5.8
130.99707	0.8
133.01343	0.4
143.04395	0.4
145.54716	0.4
147.02823	0.6
148.94865	0.5
154.99742	0.6
173.00784	1.6
173.04369	0.8
178.12109	0.4
182.20821	0.4
190.96460	0.8
191.01894	9.5
191.05528	24.9
192.02229	0.7
192.05869	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	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.97562	0.5
56.74337	0.4
57.03333	0.5
58.02852	0.4
58.78434	0.4
59.01246	2.1
64.00539	0.4
65.01324	2.2
69.03319	0.7
69.41407	3.8
71.01258	1.6
82.02857	0.4
83.04902	0.5
83.43431	0.4
85.02831	0.6
89.01340	1.3
89.02337	0.6
91.02804	0.9
95.01280	0.8
97.02786	0.4
98.02357	1.2
98.20525	0.9
101.02301	0.8
103.02849	0.6
111.00745	1.2
112.03931	1.7
115.02879	1.2
116.02411	0.5
121.06438	0.6
123.00806	0.5
124.01539	0.7
124.03934	1.2
130.03986	1.5
131.03511	0.5
132.05557	0.5
139.07552	1.0
139.11179	0.5
140.02490	0.4
140.07076	0.9
142.03995	2.1
143.04776	1.3
144.04282	0.5
152.98213	0.7
156.05576	4.0
156.13817	0.7
157.03905	0.4
157.05064	5.0
165.01836	0.6
167.03584	0.5
168.00531	1.3
175.03883	0.5
183.00526	0.8
183.02940	3.9
183.05371	0.8
183.06612	3.7
183.10486	2.5
183.13823	100.0
184.06073	2.7
184.14227	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	187.024
Annotation	2-Methyl-trans-aconitate
Peak:m/z	Relative Intensity
55.01757	14.5
57.03314	5.1
58.02846	6.1
59.01252	13.1
61.60421	2.8
65.00179	4.6
67.01740	2.5
68.38928	2.6
68.99687	28.6
69.03339	3.1
71.01251	100.0
71.09177	2.4
71.09486	4.8
72.00753	4.0
72.99162	12.5
73.02809	4.5
75.00748	9.3
83.01237	13.1
85.02812	8.1
88.03912	4.7
89.02335	14.1
96.99193	19.8
97.06467	6.8
98.00001	3.3
98.02344	10.0
99.00753	62.1
99.04390	5.3
101.02325	11.1
102.05518	4.0
102.57987	2.5
111.00751	8.6
114.05503	9.6
114.09136	7.6
116.03434	3.3
116.04964	5.1
117.01828	7.6
123.08038	5.2
124.98775	3.4
125.02322	15.4
125.09594	41.8
125.99476	9.7
127.00236	26.6
128.01059	4.2
129.01839	11.7
141.01810	3.6
142.04976	7.0
142.08612	8.7
142.99753	37.0
143.03490	2.8
144.04398	5.5
144.06595	6.7
145.09821	4.2
154.99785	7.3
157.01332	5.5
160.03893	3.9
169.01324	14.4
170.87856	2.8
187.02432	35.1
187.03880	5.2
187.06184	4.3
187.09631	16.2
187.13402	3.9
188.03181	8.3
188.05545	4.9
188.09233	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	183.1019
Annotation	10-Oxo-8E-decenoic acid
Peak:m/z	Relative Intensity
55.01746	0.8
56.10393	0.7
59.01250	5.3
62.82826	0.8
63.65306	0.7
65.01308	2.1
69.03327	4.6
69.26004	1.1
69.26409	7.2
71.01263	2.3
82.02824	0.6
83.04882	2.4
85.02837	0.7
85.06442	0.7
86.64366	0.6
89.01323	1.1
90.00850	0.8
95.01246	1.0
98.02318	0.8
98.19801	1.3
109.06470	2.7
111.00740	1.6
111.08017	2.9
112.03900	1.0
115.02923	1.3
121.06542	1.1
124.01521	1.0
124.03941	1.0
124.98629	0.7
127.07520	2.4
129.04501	0.8
130.04018	1.3
137.09618	3.3
139.00201	0.8
139.07539	3.2
139.11188	17.4
140.04527	0.8
140.11522	1.1
142.04010	1.3
143.04765	2.3
144.04269	0.9
155.10675	22.4
156.05585	3.7
156.11020	1.2
157.05072	4.8
165.09050	4.5
168.00566	1.2
183.00404	2.3
183.02870	3.6
183.06813	4.0
183.10182	100.0
184.06239	1.7
184.10561	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	179.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11617	0.9
55.01736	1.5
57.03310	2.0
58.02831	1.0
59.01247	18.9
60.99164	1.7
63.02263	3.9
65.00193	1.9
65.01314	1.6
65.99718	1.8
66.00822	1.1
67.02882	1.3
69.03331	5.2
69.37813	9.0
71.01255	26.4
72.99162	1.9
73.02810	10.1
75.00739	3.8
75.02221	1.3
79.95575	1.3
81.03342	1.5
82.03986	2.5
83.01255	7.6
83.02370	1.7
84.04437	1.6
84.67780	0.8
85.02821	23.4
87.00749	100.0
88.01089	1.6
89.02321	5.3
93.03320	3.7
93.30644	0.9
95.01249	3.6
95.02391	2.2
95.95108	5.4
96.95894	12.1
97.02813	9.5
97.46394	1.0
98.19785	1.6
99.00753	26.0
101.02317	12.5
106.04018	1.5
107.01271	5.1
107.04910	59.4
108.02029	1.3
108.04510	1.1
108.05236	3.0
109.02864	1.5
109.03928	2.3
110.02318	1.0
113.02328	3.9
117.01817	18.9
118.03980	1.8
119.02402	1.2
120.01919	1.4
121.02835	14.7
122.03238	1.9
124.05115	1.1
125.02333	14.6
125.05933	1.8
129.01794	2.3
133.02846	1.7
135.02682	9.3
135.04431	14.0
135.05447	1.9
136.05035	3.6
137.03439	1.8
138.02866	1.2
141.01830	7.6
149.02296	1.5
151.00285	6.2
151.03937	8.9
151.06340	1.1
151.07552	3.8
152.04549	2.8
153.03125	1.4
159.02919	5.1
161.04471	57.6
162.04793	2.7
164.01050	2.3
164.04720	2.0
169.01381	2.5
177.04042	2.3
178.99788	4.0
179.03554	21.0
179.05516	73.3
179.06985	6.7
179.10645	2.0
180.04219	1.2
180.05898	3.2
181.06577	1.0
188.42502	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	179.0552
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
55.01743	2.4
55.66710	0.5
57.03306	1.9
58.00452	1.4
59.01246	25.0
60.82327	0.6
61.61221	0.6
63.64529	0.6
68.99691	1.2
69.03324	5.4
69.61656	0.6
70.43085	2.0
71.01250	34.7
71.74471	0.5
72.01617	0.7
72.99176	3.7
73.02812	12.3
74.37484	0.5
75.00740	20.4
76.12164	0.6
76.87071	0.5
80.07634	0.5
81.03316	1.8
83.01247	6.8
85.02819	22.0
86.03165	0.7
87.00745	100.0
88.01074	2.2
89.02307	10.6
95.01237	2.8
97.02830	8.7
99.00752	29.2
99.04391	0.7
100.01090	0.9
101.02321	12.1
105.01817	1.5
105.54197	0.6
107.01274	0.7
111.00757	1.4
113.02321	5.7
114.99207	0.5
117.01816	18.9
123.00723	0.9
125.01427	1.1
125.02332	16.1
129.01797	3.5
131.03378	1.0
131.22209	0.6
135.04480	0.8
141.01822	9.1
142.02179	0.7
143.03412	1.5
147.02861	1.4
159.02887	6.2
161.04456	63.6
162.04758	2.8
164.01044	0.7
177.03902	3.1
179.05521	83.7
180.05849	4.7
191.69855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03329	1.8
57.21207	1.0
58.00461	2.0
58.02848	32.7
59.01248	37.1
63.07518	0.9
68.99680	4.8
69.03316	2.6
70.00003	1.1
70.28680	2.6
71.01250	59.3
71.04903	1.2
72.01591	11.5
72.99184	8.7
73.01646	1.3
73.02830	5.9
74.03154	2.1
75.00728	5.2
80.99722	1.6
82.02872	1.6
83.01258	2.5
84.01603	1.0
84.04423	1.4
85.02831	6.1
85.06457	4.8
86.03175	1.9
86.05991	12.7
87.00751	47.3
87.04387	1.9
88.03908	2.3
88.08380	1.1
93.03371	1.4
94.03676	2.7
96.99189	5.2
97.02839	1.8
98.40700	1.0
99.00761	4.4
100.01105	4.4
100.07557	43.3
100.98676	4.2
101.02355	1.8
101.07879	2.0
101.17300	1.1
111.00776	3.0
112.01095	8.2
112.04769	1.2
112.98663	5.8
113.02359	1.4
113.05977	3.6
113.99017	8.3
114.05506	2.5
115.00258	36.6
115.03925	1.5
116.04923	2.0
117.01823	4.1
124.98700	18.9
125.99596	6.1
127.00269	4.0
128.07071	100.0
129.01839	3.2
129.07396	4.2
130.02090	1.3
130.06563	3.2
131.03458	1.2
132.05611	1.8
132.06573	16.5
133.04919	1.2
136.74887	1.4
142.99745	6.4
144.00098	13.1
144.04437	1.7
145.00194	2.6
146.05995	4.1
148.98531	3.8
156.06570	3.1
157.01390	5.1
157.04980	2.0
172.06140	1.8
174.01575	4.8
174.05589	7.7
174.07639	79.3
174.82668	2.7
175.02386	4.9
175.03712	1.3
175.06076	7.9
175.07957	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	178.9498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12320	0.2
59.01244	1.3
69.03324	0.4
69.28775	1.0
69.29199	1.0
71.01255	1.8
72.99223	0.2
73.02812	0.9
79.81426	0.2
79.95581	0.3
83.01268	0.6
85.02831	1.7
87.00748	7.9
89.02332	0.6
96.95892	0.4
97.02829	0.7
98.20525	0.5
98.95441	0.3
99.00759	2.1
99.01872	0.2
101.02321	0.8
113.02332	0.3
117.01820	1.4
119.93604	0.5
125.02348	1.3
134.95973	4.2
135.04366	0.3
135.96112	0.4
136.93900	100.0
137.93967	10.9
141.01855	0.6
151.07555	0.3
151.92619	11.5
152.92715	1.0
154.94951	1.0
159.02832	0.3
161.04456	4.5
164.00987	0.2
178.94975	54.7
179.05536	4.8
179.07011	0.5
179.95065	6.7
196.96001	1.5
197.96062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20475	0.5
56.03491	0.5
57.02090	0.6
57.03323	0.8
59.01243	1.4
60.99185	1.0
65.01318	4.6
65.99718	2.1
66.00838	0.5
67.01762	5.0
69.03326	1.3
69.32796	5.2
71.01251	2.3
72.99151	0.5
73.02819	1.9
77.01337	0.6
82.26926	0.5
83.04886	1.6
85.02806	1.2
89.01344	0.9
90.00845	0.7
91.02953	1.1
93.03334	19.3
94.03667	1.2
98.02336	0.7
99.00777	0.9
105.04456	0.8
106.03969	1.5
108.01960	0.6
111.00751	3.0
111.04398	3.5
111.08042	1.9
113.09665	0.5
116.02392	0.8
119.02404	3.4
127.11175	11.8
128.11533	1.3
130.04007	1.6
130.06567	0.6
131.02611	0.6
131.03471	2.4
132.05589	1.7
133.02713	0.6
137.02388	1.1
140.54015	0.5
143.03510	0.6
145.05031	1.3
146.03493	6.3
146.06018	1.2
146.07063	0.7
147.01913	0.5
147.05536	0.9
155.03453	1.3
155.10669	2.1
156.14375	0.5
171.10185	1.1
173.04533	13.0
173.11743	100.0
174.01695	0.7
174.03052	1.3
174.05414	2.1
174.06693	2.0
174.12088	7.6
186.94437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0447
Annotation	Rancinamycin III
Peak:m/z	Relative Intensity
51.14177	0.3
51.67104	0.3
57.03326	3.4
58.00464	0.7
59.01256	4.7
60.99179	2.2
64.10813	0.4
65.01314	3.3
65.03841	0.5
65.99707	1.5
66.00831	0.9
66.46159	0.4
67.01761	18.7
68.02076	0.6
69.03329	5.1
70.43739	0.4
70.97436	0.6
70.97750	0.6
71.01250	9.7
72.01591	0.4
72.99168	0.9
73.02815	2.4
81.03331	3.6
83.01249	0.5
83.04898	3.4
85.02815	2.3
87.00761	1.0
89.01320	0.8
91.02907	0.9
92.01321	0.4
93.03333	91.7
94.03654	4.0
95.01276	0.9
97.94312	0.3
99.00756	1.5
99.04375	1.3
104.02387	0.4
105.04481	0.5
106.03991	1.1
108.01986	0.9
109.02855	2.6
111.00745	2.6
111.04396	12.7
111.08064	2.0
112.04757	0.7
112.98740	0.4
113.02335	1.0
115.00250	0.9
115.03915	0.5
116.02438	0.5
118.03981	0.6
119.02393	2.6
120.01888	0.6
123.00739	0.5
127.03938	0.8
127.07520	0.4
130.02763	0.4
130.03990	1.4
130.06551	0.5
130.08672	1.8
131.01241	0.4
131.02467	0.4
131.03571	1.7
131.08990	5.0
132.05550	1.2
133.05069	0.6
137.02324	2.4
143.03485	1.5
144.04413	1.2
145.04945	1.3
146.02371	1.0
146.03490	4.6
146.04599	0.6
146.06004	1.4
146.07082	0.5
147.02963	0.6
155.03410	2.4
173.04472	100.0
173.08157	1.8
174.01753	0.6
174.03049	0.8
174.04829	4.5
174.06641	0.4
178.88632	0.4
190.58427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00211	0.5
57.03326	4.0
59.01255	4.6
60.99164	1.9
65.01317	4.5
65.03861	0.5
65.99710	1.6
66.00829	0.5
66.96814	0.4
67.01760	22.4
68.99696	0.6
69.03327	4.8
71.01251	11.0
71.04900	0.7
71.57439	0.6
72.99183	0.8
73.02805	2.7
77.01290	0.6
81.03330	3.4
83.01254	1.1
83.04892	3.3
85.02821	3.0
87.00726	1.2
88.15311	0.4
88.58626	0.5
89.01327	1.2
91.02887	1.3
92.01277	0.6
93.03332	100.0
94.03672	4.4
95.01247	0.8
97.02846	1.2
99.00755	2.1
99.04383	1.3
101.02302	0.8
101.61440	0.4
104.02415	0.6
105.04465	1.0
106.03984	1.6
108.01953	1.1
109.02851	2.9
111.00775	3.4
111.04404	13.7
111.08044	3.7
113.02352	0.8
115.00314	0.6
115.03891	0.6
116.02415	1.2
118.03996	1.5
119.02401	3.8
122.03465	0.6
127.03944	0.8
129.01796	0.7
130.04007	1.3
131.03545	2.0
132.05550	1.2
133.02727	0.7
133.05133	0.5
137.02335	2.7
143.03485	1.6
144.04391	1.7
145.02893	0.7
145.04945	1.5
146.02344	0.9
146.03471	6.8
146.06004	1.4
147.05580	0.7
154.94670	0.5
155.02261	0.8
155.03323	3.4
155.85449	0.5
173.04477	91.3
173.08177	2.2
173.11780	1.6
174.01772	1.1
174.03297	0.9
174.04897	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	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77993	1.4
53.00193	2.7
55.01738	8.1
57.03322	7.7
57.96983	1.9
58.02847	27.2
58.67637	1.6
59.01259	9.7
62.69367	1.8
67.01757	15.6
68.99693	6.4
69.03335	4.4
70.95849	4.2
71.01252	100.0
72.01590	1.5
72.99180	9.1
73.02828	11.5
75.00758	3.4
83.01250	11.6
83.04905	4.7
85.02815	14.4
85.06481	1.5
86.05992	12.5
87.00757	7.2
93.03333	58.9
96.99213	4.0
97.02871	2.0
99.00760	28.4
99.04387	3.9
100.07553	31.6
100.98695	1.7
101.02291	2.2
101.07890	2.1
111.00755	30.7
111.04375	8.7
111.08046	8.3
112.98692	23.2
114.05526	2.2
115.00238	7.1
116.04945	1.5
124.98696	32.7
128.07066	61.8
129.01834	4.5
130.05063	1.9
130.06487	3.3
132.06546	11.2
137.02333	2.5
142.99763	64.2
144.00122	4.1
144.04436	3.0
145.01277	2.2
145.02840	2.6
145.04807	3.3
146.06020	3.5
154.99763	2.6
173.00836	8.8
173.02185	1.9
173.04491	10.4
173.08034	4.0
173.09340	2.1
173.11775	2.6
174.01817	1.9
174.05548	5.0
174.07629	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00192	2.4
54.49870	1.0
55.01756	6.1
57.03323	7.8
58.02841	6.7
59.01247	12.3
60.99169	1.2
67.01760	10.0
68.99678	5.0
71.01250	100.0
71.11564	2.4
72.01589	2.3
72.99187	8.2
73.02813	7.3
75.00745	1.5
75.84203	1.1
80.99734	1.2
83.01256	14.1
83.04885	1.5
85.02821	36.2
85.06454	1.4
86.05989	2.9
87.00758	8.5
90.52449	1.2
93.03343	16.4
96.95900	1.5
96.99186	4.1
97.58783	1.1
99.00754	30.4
100.01087	1.4
100.07538	8.4
111.00760	68.1
111.04383	3.8
111.08022	1.1
112.01117	3.4
112.98689	52.8
115.00250	4.8
124.98698	28.5
125.99475	1.2
128.07066	15.5
129.01801	8.0
132.06551	3.8
140.98201	1.3
142.99760	60.6
144.00092	3.4
154.99802	2.7
172.82945	2.3
173.00813	7.6
173.04497	9.8
174.07634	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	172.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72913	0.2
57.03318	1.1
58.02848	2.2
59.01248	1.5
59.63551	0.2
60.99162	0.6
62.62146	0.2
62.77382	0.2
65.01320	1.2
65.99708	0.3
66.00822	0.3
67.01759	7.2
67.02883	0.2
69.03328	1.3
69.81786	0.5
69.82195	0.6
71.01246	3.5
72.99178	0.4
73.02802	0.6
81.03313	1.1
83.01249	0.3
83.04874	1.1
85.02826	0.7
87.00739	0.4
89.01327	0.3
90.00874	0.3
91.02894	0.2
93.03333	31.4
95.01241	0.2
97.02852	0.2
99.00742	0.8
99.04361	0.4
106.04008	0.2
108.01986	0.3
109.02845	0.9
110.03171	0.2
110.09594	0.2
111.00756	1.3
111.04399	4.1
111.08054	0.7
113.02322	0.4
115.00244	0.2
115.03854	0.3
116.02448	0.2
116.04930	0.4
118.03997	0.4
119.02396	0.4
127.03922	0.3
128.10701	6.2
129.01871	0.2
129.11035	0.4
130.08629	100.0
131.03496	0.4
131.08990	5.1
132.05548	0.2
133.02733	0.2
137.02319	0.9
143.03496	0.3
144.04414	1.4
145.02829	0.3
145.03989	0.3
145.05113	1.0
146.03514	1.3
146.07036	0.2
155.03391	1.2
172.03900	0.7
172.05136	0.3
172.06270	0.7
172.09682	15.6
173.04482	32.4
173.10048	1.2
173.11661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.097
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
57.03334	0.9
58.02848	2.4
58.03080	0.2
59.01244	1.1
60.99185	0.6
65.01317	1.4
65.99733	0.5
66.00855	0.3
67.01761	5.1
69.03333	1.4
69.67497	0.5
69.67899	0.9
71.01248	2.5
71.04875	0.3
72.99176	0.3
73.02834	0.8
75.84698	0.2
77.01318	0.3
79.02909	0.3
81.03352	0.8
83.04911	1.0
85.02830	0.8
87.00800	0.3
90.00851	0.3
91.02892	0.2
92.02398	0.3
93.03330	25.3
99.00770	0.5
99.04340	0.3
103.02863	0.2
106.04003	0.4
109.02845	0.8
111.00757	0.9
111.04398	3.5
111.08046	0.9
113.02290	0.3
116.04941	0.7
118.03989	0.4
119.02386	0.8
127.07529	0.2
128.10698	6.6
130.08627	100.0
131.03491	0.5
131.08977	5.0
137.02319	0.8
143.03529	0.3
144.04443	5.0
145.03847	0.3
145.04984	1.0
146.03490	1.5
155.03410	1.0
172.03908	1.8
172.06245	1.3
172.09677	15.7
173.04471	21.2
173.10011	1.1
173.11583	0.4
192.95161	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	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	100.0
59.03181	1.6
65.61388	0.3
69.03341	0.6
69.86677	1.3
70.02863	0.5
82.02866	0.6
88.80495	0.3
97.02849	0.9
97.06464	0.6
108.02002	0.3
108.04466	0.4
125.02335	5.1
125.05986	0.6
125.09618	0.4
126.90250	0.8
141.01984	0.3
151.11147	0.4
153.01431	0.7
168.06514	0.4
168.10208	0.6
168.13814	6.2
169.01369	1.8
169.03868	0.5
169.12242	0.6
169.14236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1019
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
65.01311	2.6
71.37899	0.9
89.01355	1.2
99.08059	1.1
105.04481	0.9
106.03984	0.6
117.04472	0.4
123.08047	0.6
125.09618	3.3
127.07526	0.7
127.11199	6.3
128.11472	0.6
130.04004	1.5
130.08627	0.5
144.04510	0.7
144.05537	2.2
145.05070	0.5
153.09061	1.9
171.01884	1.7
171.06737	2.7
171.10181	100.0
172.04979	0.8
172.06229	0.6
172.10521	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	165.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.9
56.28827	0.7
57.03320	1.7
58.00447	0.8
59.01245	15.6
66.00846	3.0
68.99620	0.8
70.42048	2.9
71.01250	15.6
72.99178	9.3
73.02810	5.3
75.00745	86.5
76.01079	1.6
77.00545	5.5
78.21448	0.7
79.95600	3.0
80.96394	1.4
83.01263	0.9
85.02824	2.9
87.00751	100.0
87.04395	0.9
88.01105	2.2
89.02312	6.2
96.95907	0.9
99.00754	11.0
101.02322	6.7
103.03855	0.7
105.01815	78.2
106.02156	1.4
108.04449	2.7
117.01798	3.7
119.03354	1.4
120.94506	0.9
121.02843	2.0
121.98952	0.7
129.00267	0.7
129.01837	9.6
135.02901	2.1
138.05507	1.5
147.02899	10.2
150.03172	1.5
164.83548	2.3
164.89857	0.9
165.03957	78.6
166.01709	5.5
166.04311	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	168.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43511	0.4
57.03310	0.4
58.02863	0.9
59.01250	77.6
60.01586	1.3
60.01888	0.4
60.07899	0.3
65.01333	0.4
66.03367	1.2
68.01275	0.5
69.03344	1.2
71.01260	2.8
71.57255	0.3
81.02048	0.6
81.04439	0.5
82.02880	0.5
83.01249	0.7
83.02375	0.5
85.03947	1.2
89.01344	0.4
95.04903	0.4
96.04421	8.9
97.02833	1.1
97.03970	0.6
97.06464	0.9
98.02336	0.7
108.04434	63.4
109.04724	2.8
110.02338	2.4
112.03121	0.3
112.03915	0.4
115.02887	0.7
122.06007	3.2
124.07574	100.0
125.02345	2.7
125.03390	0.5
125.07921	5.9
125.09583	0.7
125.99507	0.6
126.01956	0.4
127.05025	0.5
129.03214	0.6
141.01979	0.6
141.06645	0.4
142.03984	2.5
150.05545	1.6
151.00259	1.0
161.54834	0.4
168.03011	1.4
168.04330	0.7
168.06561	9.5
168.10237	0.4
169.01340	1.5
169.03841	0.7
169.05069	2.5
169.08635	0.5
169.12267	0.6
176.32719	0.4
182.33914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26096	0.7
59.01240	4.2
63.33292	0.7
65.99731	1.1
66.03354	1.1
69.03294	1.1
69.92892	1.6
69.93288	1.8
71.01236	6.2
73.02818	1.6
81.03302	0.8
83.04855	0.9
85.02834	2.5
89.02325	2.3
93.03343	3.3
101.02312	1.8
103.03881	0.8
105.01790	0.8
107.04908	2.0
108.02071	0.9
108.04410	1.4
109.02854	1.2
116.72733	0.7
119.04929	1.8
121.02845	100.0
122.03119	5.8
123.00784	0.9
123.04421	2.2
135.04404	3.0
136.01541	0.8
137.02339	2.0
137.05954	1.1
138.05537	1.5
146.69615	0.7
147.04399	2.3
147.06624	1.0
149.00865	0.8
150.03125	4.5
151.00250	1.8
165.01877	9.1
165.04118	1.2
165.05484	4.2
165.07646	1.7
165.09111	2.2
166.04895	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	165.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.9
65.01329	1.1
66.03358	0.9
67.02887	0.8
70.70430	2.5
71.01247	6.0
72.99180	1.0
73.02803	1.3
75.00742	0.9
77.03815	1.0
78.17579	0.8
80.04938	0.7
83.04920	0.8
85.02822	2.1
87.04423	0.8
89.02322	3.4
93.03344	3.0
101.02331	2.2
107.04932	1.0
108.02045	1.7
108.04404	0.7
109.02831	1.5
112.12750	0.7
119.04923	1.8
120.04366	0.8
121.02840	100.0
122.03136	5.3
122.05988	1.0
123.00768	1.3
123.04398	1.0
124.05024	0.8
135.04419	4.3
136.04855	0.7
137.02390	1.5
137.05959	1.3
138.05492	1.1
147.04451	2.3
150.03160	4.4
151.00328	0.8
165.01830	9.3
165.04102	1.6
165.05496	5.7
165.07603	2.3
165.09132	2.3
166.02461	1.3
166.04967	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	163.039
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
57.03313	0.3
58.78859	0.3
59.01259	1.5
65.01322	0.8
65.99699	0.3
71.01263	1.5
72.00776	0.4
72.99171	0.9
73.02836	0.7
75.23132	0.3
78.81924	0.3
82.04004	0.5
85.02822	1.9
89.02322	0.4
91.01773	0.8
92.04936	0.7
93.03329	4.7
94.02855	0.5
95.43336	0.3
101.02309	3.9
107.04951	0.3
109.74958	0.3
112.36613	0.3
113.02313	0.4
119.04911	100.0
120.04399	1.2
120.05217	6.6
121.02853	1.0
121.05064	1.5
122.03474	0.7
134.03545	0.7
135.00716	0.5
135.04384	1.1
136.03952	0.7
136.05084	0.8
147.04369	0.6
162.89272	0.3
163.00275	2.4
163.02516	0.6
163.03905	11.7
163.06024	3.2
163.07419	0.6
164.03224	0.6
164.04395	1.4
164.07014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.1
59.01249	0.6
65.01324	0.6
65.01624	0.1
65.99745	0.3
66.00854	0.1
71.01250	0.5
71.03191	0.3
71.03539	0.2
72.00777	0.1
73.02824	0.2
82.03985	0.2
83.01263	0.2
85.02830	0.7
91.01777	0.4
91.02901	0.1
91.05404	0.6
92.04946	0.2
93.00782	0.2
93.03336	1.5
101.02319	1.4
106.03996	0.3
109.03976	0.2
117.03379	0.2
119.04916	100.0
119.66041	0.1
120.01916	0.2
120.04420	0.6
120.05236	6.7
121.02785	0.4
121.03998	0.2
121.05084	1.2
122.02307	0.1
122.03506	0.3
122.23180	0.2
128.82779	0.1
134.03526	0.4
135.00761	0.2
135.04416	0.5
136.01428	0.1
136.03999	0.2
136.05016	0.5
137.03429	0.1
145.02922	0.1
146.03484	0.1
147.04404	0.4
148.01634	0.2
149.02223	0.1
162.95207	0.1
163.00284	0.7
163.03918	6.1
163.05998	1.2
163.07494	0.3
164.04454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.4
70.08758	1.4
70.09122	2.4
71.01250	5.8
72.00777	36.9
72.99161	1.0
73.02829	1.3
85.02808	2.6
89.02325	2.8
91.05410	1.2
93.03323	1.6
98.19804	0.8
101.02332	2.5
107.04909	0.8
115.03928	0.9
119.04888	1.7
120.04443	0.9
120.05236	1.5
121.02849	4.0
122.03598	0.9
123.04368	0.8
128.90790	0.8
135.04388	2.7
137.02376	0.7
147.04413	100.0
148.04764	7.6
150.03082	2.2
152.52625	0.6
164.07079	48.9
165.01891	1.1
165.05490	1.9
165.07501	6.0
165.08965	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	157.1225
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
56.04702	0.4
57.03325	0.9
58.00448	0.3
58.02847	0.4
59.01250	10.1
61.98681	0.5
65.01303	1.1
68.99696	1.0
69.03333	1.3
71.01254	1.6
72.99174	0.6
75.00745	4.2
83.04877	0.5
84.99174	3.5
85.02824	1.3
87.00722	0.5
91.02906	0.5
91.68111	0.3
95.04901	0.7
96.95882	5.0
97.06474	0.8
97.93027	0.7
98.62255	0.4
99.00735	1.6
111.00793	0.4
111.08050	1.2
112.92129	1.8
113.02332	0.4
113.05965	1.2
113.09602	1.3
114.93288	0.9
114.98769	0.7
115.00230	1.5
115.02862	0.6
116.07050	1.0
127.00272	3.9
128.04929	1.4
128.98174	0.7
130.04022	1.9
130.06537	3.7
139.07565	1.3
156.89316	4.1
157.01305	0.8
157.05084	2.7
157.08662	8.3
157.12247	100.0
158.03500	6.5
158.04752	0.7
158.06000	4.1
158.08141	1.5
158.12582	8.6
172.03925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57324	0.3
51.70367	0.2
52.99114	0.3
57.03317	0.6
57.66088	0.3
59.01247	1.1
64.01807	0.3
65.01314	2.2
65.99725	0.7
66.00839	0.6
68.17846	0.3
68.99674	0.9
69.03329	0.4
70.16397	1.0
71.01252	1.9
72.99165	0.5
73.02810	1.8
74.02345	0.4
75.00739	0.5
77.01356	0.4
83.01259	0.4
83.29252	0.3
85.02802	0.9
87.00737	1.4
89.01316	1.0
90.00848	2.9
91.02872	0.9
92.02411	0.4
96.95918	0.4
97.02827	0.4
97.06453	1.1
98.20631	0.4
99.00745	1.6
101.02328	1.0
106.03323	0.3
106.03999	1.2
111.00765	1.7
113.02379	0.7
113.09602	0.4
115.02877	0.6
115.07544	0.6
116.02419	1.2
116.07037	0.4
118.03979	0.9
119.04755	1.0
127.23896	0.3
128.04948	0.6
128.92050	0.4
129.01823	0.8
130.03984	0.6
130.06508	1.3
131.02522	0.5
131.03508	3.0
131.04388	0.4
132.01933	0.7
132.05609	0.9
139.59042	0.3
144.04300	0.5
151.03775	0.5
157.05089	0.5
158.03497	100.0
159.02921	4.1
159.03857	5.2
159.06616	2.6
159.10201	1.1
172.04027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06175	1.0
55.60593	1.3
56.34305	1.1
57.03333	1.7
58.02862	1.2
59.01251	22.8
64.01794	1.7
65.01318	26.2
65.99719	3.1
66.00855	2.4
67.05379	1.6
68.99683	1.5
69.03308	1.3
70.90857	2.2
70.91213	2.1
71.01251	16.3
73.02834	1.0
75.84028	1.2
83.04908	3.0
85.02828	2.7
85.06445	1.2
87.00765	2.1
88.01798	2.5
89.01326	16.7
90.00845	4.8
91.02888	7.6
92.02410	4.5
97.06471	1.9
99.00728	5.4
102.00842	3.0
103.02917	2.5
103.92517	1.2
105.04519	1.4
106.03988	4.8
109.06475	8.5
111.08051	7.7
113.04202	1.6
113.05974	2.2
113.09615	3.3
115.00266	2.0
115.02919	8.3
116.02444	7.7
116.07072	1.4
118.03988	2.6
121.06485	1.5
127.00239	3.1
127.07543	40.3
128.04965	2.0
128.07852	4.1
129.03178	2.0
130.04007	51.9
130.06514	3.4
131.02504	1.4
131.03519	18.2
131.04408	2.3
139.07541	27.4
140.07939	1.4
156.04390	1.4
156.89412	1.4
157.01390	2.7
157.05104	65.1
157.08606	100.0
157.12216	7.0
158.03502	69.3
158.04630	5.9
158.05855	6.0
158.08995	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	155.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66353	0.4
55.01757	0.6
55.36266	0.3
56.53363	0.4
57.03318	0.9
58.02843	2.1
59.01244	1.0
60.24322	0.4
65.01309	1.8
67.01751	0.7
68.01294	0.4
68.89899	0.3
69.03304	0.7
70.02847	0.9
70.54898	0.9
71.01260	0.6
73.02811	7.2
74.00237	0.5
74.90504	0.4
82.02840	0.5
83.01249	1.9
83.02393	0.5
83.04900	1.4
83.26461	0.4
84.00788	0.8
84.04417	3.1
85.02836	1.1
89.01357	0.7
90.00844	0.6
93.03332	2.1
95.01260	0.7
96.00791	2.0
97.02799	0.5
97.03923	0.7
98.02355	0.7
99.00778	0.5
101.01323	1.6
102.00854	1.2
109.06498	0.5
111.00023	0.6
111.00784	1.0
111.04398	1.6
111.05491	0.5
111.08032	0.9
112.03926	0.7
113.03456	1.2
114.00906	0.5
114.05473	0.7
115.02895	0.7
128.02419	1.4
128.03380	0.7
129.04477	1.8
135.08073	0.7
137.02321	0.6
137.09625	4.5
140.01048	1.5
143.89325	0.4
154.02751	1.3
155.03520	12.3
155.04465	0.6
155.10683	100.0
156.02901	0.8
156.04085	1.2
156.05542	7.2
156.11020	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	151.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	6.3
57.03333	2.1
58.00463	2.3
59.01249	47.3
60.42916	1.3
66.03358	12.7
70.74947	2.5
70.75285	1.7
71.01251	100.0
72.01595	2.8
72.99184	2.9
73.02816	28.0
78.98495	1.3
83.01255	5.6
85.02828	7.6
87.00760	2.7
89.02314	43.9
91.03876	1.7
94.02859	1.5
101.02322	56.4
102.02664	3.6
106.04025	1.7
107.04926	4.5
108.02012	4.5
108.04408	1.8
109.02852	1.9
117.01832	12.6
119.03368	2.9
122.03622	2.3
123.04399	7.6
131.03435	2.0
133.04968	5.0
134.03503	2.1
136.01556	28.3
137.01913	1.5
149.04509	2.2
151.03947	17.0
151.06012	31.7
152.01059	1.4
152.03360	2.3
168.25598	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00214	4.2
51.14310	3.8
57.03332	4.9
59.01256	35.6
61.98708	19.8
64.01793	16.5
65.01321	78.2
65.99715	21.3
66.00829	3.5
67.02892	6.4
70.02841	12.0
71.01252	26.7
71.57721	4.2
72.99179	86.9
75.00751	49.3
79.02889	18.1
81.04449	9.2
82.02879	4.5
82.03990	11.5
84.84409	4.3
84.99184	8.5
85.02818	6.2
91.02879	6.0
92.02467	4.9
99.00761	4.6
105.04471	53.7
106.02901	4.6
106.03992	61.3
107.02412	4.8
118.03993	7.2
119.02409	7.1
119.04910	12.6
120.01913	15.3
120.04472	5.3
120.05553	17.7
120.06413	4.5
121.02910	4.1
121.03956	20.7
147.01901	28.4
147.02940	12.5
147.04448	80.1
147.05513	11.8
147.06532	47.8
148.03931	10.8
148.05063	100.0
148.06186	6.4
150.57965	4.6
166.15381	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	149.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15346	2.3
59.01249	15.7
63.51106	2.6
65.99706	7.9
70.18224	6.0
70.18628	6.5
71.01250	45.5
72.99169	24.3
73.02817	23.1
75.00727	14.5
76.09494	2.4
78.03363	5.9
85.02816	4.3
87.00748	29.2
89.02313	100.0
90.02628	5.3
92.95893	3.8
94.02881	2.9
103.03867	5.6
110.72918	2.3
110.73759	2.9
121.02819	10.6
122.02371	5.1
123.00740	8.4
131.03363	7.9
135.51884	2.4
148.86255	21.5
149.00824	5.0
149.04419	23.2
150.01906	2.6
157.48111	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	147.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85611	3.6
57.03322	29.8
58.00420	4.3
59.01246	57.5
68.80386	3.8
69.66742	3.4
71.01260	36.8
71.04894	14.8
71.16692	7.2
71.17048	5.3
72.99182	12.8
75.00754	20.8
77.90298	3.9
85.02820	79.1
86.03127	4.8
87.00752	100.0
94.95625	4.4
101.02332	12.1
101.05976	18.1
103.03890	15.0
103.05848	4.2
115.00276	8.1
129.01790	22.7
146.86569	14.6
147.02922	27.2
147.04231	4.1
147.06572	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	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00211	2.6
64.01789	3.4
65.01317	9.4
65.99733	4.1
66.00847	1.6
70.42209	2.6
73.02814	1.1
76.01811	0.8
77.01312	5.7
81.04487	1.9
83.04895	1.9
90.00870	1.4
91.02889	4.4
92.02415	1.6
97.06469	2.8
99.08031	100.0
100.08353	5.1
101.05965	1.8
102.37168	0.9
103.01652	1.3
104.02467	0.9
104.03488	0.8
105.03214	1.6
105.04462	2.3
106.01617	2.0
111.76608	0.8
116.02447	1.9
117.02004	1.3
117.03346	15.2
117.04264	1.1
117.04537	1.3
118.02877	8.0
118.03996	23.4
119.01594	1.1
119.02410	11.1
119.04380	1.5
127.07584	1.4
130.02713	2.0
131.01135	0.9
143.07054	1.7
144.01945	3.5
144.03015	1.2
145.01566	1.9
145.02814	8.8
145.03957	4.6
145.05029	15.8
145.08609	36.7
146.02365	12.9
146.03493	8.9
146.07155	3.5
146.08965	2.8
150.89233	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	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00196	26.4
59.01244	9.5
68.99678	8.1
69.80222	14.2
71.00887	4.4
71.01257	57.0
72.99181	2.4
73.66557	2.5
80.99693	6.9
82.02858	8.0
83.01242	3.4
87.00736	15.6
96.17702	2.3
96.99194	28.1
98.97736	2.4
99.04421	3.4
100.07537	2.9
102.05521	3.1
112.98692	39.8
114.09200	2.6
115.00229	4.9
124.98702	74.2
125.99059	2.6
140.17952	2.4
140.98212	9.4
142.99763	100.0
143.03484	4.0
144.00101	5.8
144.04448	43.2
144.06612	7.3
145.56277	2.3
158.99147	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	8.5
57.03296	3.0
59.01242	27.2
59.21617	2.7
68.48640	2.8
68.99665	2.8
70.08571	7.3
70.08959	6.1
71.01249	100.0
71.94525	2.7
72.01594	4.5
72.99183	19.1
73.02821	12.5
74.02348	8.4
83.01255	35.7
84.04419	3.7
87.00748	53.6
89.02309	4.0
92.95879	9.3
98.19684	3.3
99.00746	26.9
101.02330	15.9
101.05833	3.1
102.05483	54.4
112.98663	3.3
115.00240	34.3
117.01906	2.8
118.02843	8.2
124.26008	3.2
126.99361	2.7
127.00256	13.6
128.03418	19.6
144.86845	11.9
144.95366	9.4
145.01346	25.6
145.03990	7.3
145.05046	4.1
146.02396	18.7
146.04489	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	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16906	3.0
53.00196	20.1
55.01767	6.4
58.24097	3.4
59.01243	13.8
68.99691	6.2
71.00890	5.7
71.01255	74.5
71.13599	3.2
71.13957	5.0
72.99174	4.7
79.98910	5.7
80.99696	4.9
83.01270	6.7
85.02818	9.1
87.00769	19.0
87.01204	3.4
89.01331	3.1
96.99194	27.8
97.02800	3.9
97.06457	3.7
102.05448	4.7
112.98693	37.6
115.00260	7.7
116.02392	4.3
116.04931	3.5
116.93201	3.4
124.98700	83.3
125.02348	7.6
125.99063	3.9
126.47676	3.0
140.98222	8.1
142.99768	100.0
143.03485	12.6
143.06976	6.0
144.01933	4.8
144.04468	96.5
144.06493	26.2
158.99306	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	141.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99638	3.2
55.01750	7.2
57.03312	3.6
58.61972	3.3
59.01244	33.1
59.38197	3.6
65.01266	5.5
67.01734	4.2
68.99676	9.0
69.03313	25.4
70.72195	8.9
70.72522	4.6
71.01242	10.6
71.04881	12.1
81.03326	40.9
83.01267	6.3
85.02806	10.9
95.01246	13.7
95.04918	10.0
97.02821	11.0
97.06470	13.1
99.00731	10.4
99.01862	9.4
99.04392	100.0
113.05946	5.6
114.00847	15.4
115.02932	6.1
123.00782	8.2
123.04401	64.7
125.99469	5.7
141.01898	42.3
141.05470	31.7
142.03996	11.6
143.28281	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	138.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.0
65.99712	1.1
66.00826	1.1
66.03363	1.2
67.01757	1.0
67.02858	1.2
68.00915	0.7
68.01270	2.1
71.03865	1.8
75.14073	0.9
76.56696	0.7
81.04419	0.9
83.01277	1.0
93.03321	1.6
94.03666	8.1
95.01220	0.9
95.02394	1.2
95.04922	4.7
96.00781	1.1
96.05555	0.9
104.42324	0.7
108.02055	29.3
109.02385	1.3
110.02313	0.9
111.00772	5.1
111.01900	1.0
112.03960	1.0
120.01926	2.2
120.04432	1.9
123.03152	100.0
124.03497	6.5
132.14680	0.8
138.01869	38.3
138.02718	2.1
138.05498	59.4
139.00276	2.8
139.02219	2.3
139.03993	1.7
139.05878	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	138.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83735	0.6
55.01759	0.9
62.59019	0.6
65.01318	0.6
66.00843	1.6
66.03371	0.8
67.01763	2.0
67.02880	1.3
68.01279	2.5
68.99709	0.7
70.03271	3.2
79.12888	0.5
79.95576	0.6
82.02859	0.7
89.31446	0.6
93.03348	2.2
94.02878	0.8
94.03668	5.7
95.02387	1.4
95.04894	4.4
96.00764	0.7
96.05547	1.5
97.00310	0.6
97.03956	1.7
98.19871	0.9
106.07071	0.6
108.02050	29.0
109.02406	1.6
109.03986	1.0
110.02381	1.0
111.00760	5.2
111.01894	1.0
120.01949	1.2
120.04441	1.6
123.03152	100.0
124.03492	6.1
131.49956	0.6
138.01865	38.7
138.02727	2.3
138.05501	60.8
139.00322	2.9
139.02225	2.7
139.03906	2.1
139.05888	4.1
139.07579	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	135.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87738	0.8
55.01752	1.0
57.03319	3.3
59.01251	19.6
61.51561	0.7
65.43050	0.7
66.04695	0.7
67.01765	0.6
68.70693	0.7
69.03310	2.2
69.74578	0.6
70.85023	1.5
71.01253	44.5
71.04878	2.4
72.01597	1.8
72.99171	1.8
73.02818	26.9
74.02673	0.7
74.03144	1.3
74.08467	0.8
75.00744	2.9
81.03333	12.0
83.01267	1.2
84.02036	2.1
85.02820	100.0
86.03161	3.8
87.00755	1.9
89.02322	8.7
99.04375	2.2
101.02321	10.2
102.02649	1.3
103.03873	7.3
115.03910	1.4
117.05445	1.8
118.97914	0.6
125.55663	0.6
133.97458	0.7
135.04422	0.9
135.06520	6.6
136.06822	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	138.0186
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
53.33334	0.3
67.01754	0.7
68.01280	0.4
73.74313	0.3
79.95586	0.5
80.38596	0.3
83.99616	0.3
84.39700	0.3
94.02921	0.3
94.03676	1.0
95.01276	0.7
97.03928	0.5
98.20575	0.7
100.74202	0.3
101.61112	0.4
108.02048	75.8
109.02382	4.3
109.03962	0.4
110.95188	0.3
111.00746	2.4
111.01908	0.4
138.01862	100.0
139.00320	1.0
139.02214	6.6
139.03859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.5
58.00460	1.0
59.01249	18.3
69.03333	2.3
70.47982	1.1
71.01253	43.9
71.02374	1.4
71.02721	1.9
71.04883	2.3
72.01588	0.9
73.02819	30.5
75.00726	1.0
81.03331	9.3
82.03662	1.0
84.02038	2.4
85.02822	100.0
86.03168	4.4
87.00723	1.3
89.02319	6.7
92.04889	0.9
93.03352	1.0
99.04379	1.8
101.02323	8.8
102.02644	1.2
103.03880	5.7
107.04887	1.8
108.02036	1.8
108.03812	0.9
108.73668	0.8
115.03868	1.1
117.05434	1.4
134.03636	2.6
135.04330	8.6
135.06532	5.3
136.67981	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	135.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.6
58.00475	1.2
59.01251	17.4
65.01302	1.0
69.03329	2.5
70.85249	2.2
71.01254	40.3
71.04899	1.9
72.01618	2.6
72.99177	1.2
73.02821	27.7
81.03329	11.6
82.03669	1.0
83.01266	0.9
84.02020	2.8
85.02823	100.0
86.03152	3.9
86.48512	1.0
87.00771	2.0
89.02309	8.3
92.04929	2.0
93.03310	1.7
99.04399	2.0
101.02327	9.5
103.03888	6.2
104.04166	0.9
106.04034	2.1
107.04914	3.6
108.02055	2.1
114.61520	0.9
114.83789	0.9
115.03931	1.3
117.05464	3.8
133.05035	0.9
134.03598	1.4
134.89351	1.2
135.04437	17.3
135.05481	1.6
135.06514	6.3
136.01523	2.1
136.03941	2.0
136.04874	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	135.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10587	0.5
50.23227	0.7
54.30910	0.5
55.01740	0.7
55.24997	0.7
57.03311	3.1
58.00472	1.0
59.01252	18.6
60.01589	0.6
69.03316	2.3
69.80508	3.5
71.01254	47.2
71.04893	2.2
72.01577	1.6
72.99173	1.4
73.02816	30.7
75.00767	1.2
81.03332	11.0
83.01258	0.8
84.02038	2.4
85.02822	100.0
86.03152	5.0
87.00726	0.9
89.02312	8.8
92.04923	1.3
93.03349	1.0
98.19847	1.0
99.04408	3.3
101.02326	9.7
103.03895	8.2
106.03963	1.5
107.04886	2.4
108.02054	1.7
115.03891	1.9
117.05457	3.0
124.21980	0.7
125.46891	0.6
134.03633	2.5
134.70424	0.7
135.04395	12.7
135.06531	5.8
136.01500	0.8
136.03896	1.3
136.04823	1.0
150.90146	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	135.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10771	0.7
55.01749	1.0
57.03310	2.3
57.31458	0.9
58.00489	0.8
59.01251	18.1
64.42419	0.7
65.70425	0.8
68.99629	0.8
69.03331	2.1
69.80669	5.4
70.51755	0.8
71.01250	43.8
71.04887	1.5
72.01598	1.1
72.99178	1.3
73.02822	29.4
75.00760	1.4
81.03324	12.3
84.02051	2.2
85.02823	100.0
86.03126	4.7
87.00726	1.6
89.02315	6.6
92.02406	1.8
99.04391	1.9
101.02320	9.5
103.03859	6.5
117.05466	2.8
129.09058	0.9
133.04921	1.2
135.02971	1.1
135.04398	3.3
135.06532	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	135.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
57.03319	2.5
58.00476	0.8
59.01249	17.9
64.82751	0.7
69.03328	2.0
71.01251	46.9
71.04901	2.9
71.05408	1.4
72.01595	1.6
72.99170	0.8
73.02817	30.8
74.03150	1.2
75.00754	0.9
81.03330	10.9
83.01237	1.6
84.02042	1.8
85.02822	100.0
86.03159	5.5
87.00806	1.0
89.02314	8.2
93.03362	0.9
99.04409	2.2
101.02324	9.9
103.03892	7.7
107.04916	1.1
108.02134	0.9
114.87432	0.7
115.03892	1.2
117.05447	2.5
133.04997	1.4
134.89429	0.7
135.04434	6.1
135.05383	0.9
135.05554	0.9
135.06531	7.1
136.03906	1.0
136.04849	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	130.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	9.5
59.01239	4.5
65.01310	5.2
68.03824	1.7
69.03329	4.1
71.01254	9.1
71.16632	4.4
73.02827	13.6
85.02816	29.0
85.06459	4.8
86.05940	2.2
87.00756	1.7
87.04388	34.5
88.03904	3.1
89.01346	3.1
96.93534	1.7
103.02898	2.2
113.02328	4.2
129.99527	2.5
130.02945	3.0
130.04010	21.1
130.08623	100.0
131.03468	26.1
131.08943	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.2
69.62227	2.5
71.01254	84.9
72.01588	2.7
72.99181	29.6
73.99518	0.7
75.00751	4.2
87.00759	1.5
87.04395	0.8
89.02316	8.7
90.74421	0.3
96.27650	0.3
98.19798	0.5
115.00258	100.0
116.00597	5.1
132.86726	0.4
132.88521	1.4
133.01326	22.1
133.04955	5.1
134.01648	1.1
134.03656	0.4
134.04599	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	133.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.9
70.19427	2.1
70.19821	1.5
71.01245	25.1
72.99177	32.8
75.00739	14.7
87.00768	1.7
87.04367	1.3
89.02299	2.3
115.00249	28.9
115.01061	1.6
116.00618	1.6
117.52711	0.8
132.88535	100.0
133.01328	5.4
133.04008	0.8
133.04941	14.7
133.88611	8.7
134.02382	1.9
134.03485	2.4
134.04512	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	130.0864
Annotation	L-Norleucine
Peak:m/z	Relative Intensity
55.75769	1.4
57.03308	3.2
59.01249	2.2
60.82606	1.4
69.03329	2.5
70.16045	4.1
70.16450	3.8
71.01259	5.1
72.00669	1.4
73.02817	7.6
85.02823	11.9
85.06461	2.5
87.04388	15.8
88.03929	4.7
89.01331	1.7
96.57323	1.5
113.02337	1.9
120.35934	1.6
130.04041	7.5
130.08627	100.0
131.03479	8.8
131.08997	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07975	1.1
55.01756	7.4
56.25817	1.1
57.03320	22.1
58.02829	2.6
59.01240	3.8
63.21794	1.1
67.01759	54.5
68.02105	2.4
68.99684	16.5
71.01254	9.8
71.03996	2.4
71.04328	1.6
71.09131	1.2
72.99181	9.3
73.02814	5.5
83.01247	4.9
83.04906	1.4
85.02819	100.0
85.06456	1.9
85.19201	1.3
86.03154	4.6
87.00754	4.9
88.03915	19.1
99.00751	5.2
101.02307	3.7
111.00779	3.4
128.89105	40.1
128.99165	16.2
129.01825	16.8
129.05473	1.7
129.89157	3.7
130.04002	8.1
130.04878	2.0
130.08614	3.3
130.29082	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00216	3.7
63.61252	0.8
63.67916	0.8
63.98972	0.9
64.01791	1.3
65.01317	13.8
65.99715	8.8
68.01283	2.7
70.03268	4.6
71.01254	1.1
72.99220	1.0
77.01327	4.3
79.02873	1.0
79.99950	0.9
91.02887	6.1
91.05387	1.0
92.01309	4.9
92.02427	3.6
93.00826	5.6
93.03336	4.2
95.25311	1.1
104.02452	1.4
118.04001	3.5
118.92548	2.4
119.02406	19.3
119.03477	4.1
119.04907	100.0
120.01939	12.1
120.02696	1.1
120.04362	1.7
120.05572	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00218	3.8
50.07577	0.9
50.14080	0.8
51.91549	0.8
59.01259	1.0
65.01321	11.1
65.99716	6.0
68.01318	1.3
71.01254	1.3
77.01328	3.0
79.82954	0.8
81.31786	0.8
91.02905	4.1
91.05373	1.3
92.01284	2.8
92.02425	4.3
93.00813	4.7
93.03334	4.5
104.02502	1.3
109.11510	0.8
118.03994	3.2
118.92574	1.3
119.02408	16.2
119.03487	3.3
119.04908	100.0
120.01945	13.0
120.04297	2.1
120.05575	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.0
57.03311	0.2
59.01247	1.7
59.30238	0.2
59.88175	0.2
69.03322	1.5
69.85869	0.8
69.86285	0.4
71.01255	2.3
71.04901	1.1
72.00788	0.4
73.02819	100.0
74.02340	0.8
74.03144	3.2
81.03326	2.7
84.02028	1.5
87.00764	0.3
90.00870	0.3
91.02896	0.4
97.02820	0.3
99.00755	9.2
99.92452	0.7
100.01090	0.4
116.92756	2.3
117.01826	14.0
117.05432	0.4
117.07409	0.5
118.02139	0.6
118.02896	0.4
118.03976	0.6
123.36656	0.2
124.14518	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	1183.603
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01246	0.5
91.01777	0.2
107.01272	1.3
108.02023	0.6
108.50225	0.1
109.02846	0.5
119.01257	0.2
121.02834	0.6
124.01535	0.2
125.02325	0.3
133.02844	0.2
135.00729	0.5
135.04349	0.1
137.02258	0.1
143.04929	0.1
146.03587	0.1
147.00775	0.1
147.04387	0.1
148.01581	0.6
149.02399	0.2
151.00273	4.6
152.00864	0.1
153.01845	0.2
155.04913	0.1
159.04393	0.2
161.02393	0.2
163.00287	1.5
163.03906	0.2
164.01030	0.3
165.01813	0.1
167.04977	0.1
169.01401	0.5
171.04401	0.2
172.05225	0.2
173.06010	0.1
174.03123	0.4
175.03937	0.2
178.99792	2.6
182.03596	0.1
183.04469	0.2
185.02336	0.1
185.06018	0.1
187.03847	0.4
188.04689	0.3
189.01857	0.2
190.02667	0.4
190.99834	0.3
191.03342	0.2
192.00522	0.2
193.01360	0.3
198.03110	0.6
199.03946	1.0
200.04597	0.2
201.01874	0.3
201.05499	0.2
202.02798	0.1
203.03445	0.3
204.11223	0.1
205.01340	0.1
206.02196	0.1
207.03026	0.1
211.03909	0.5
213.01805	0.1
215.03459	0.6
216.04222	0.8
217.04932	0.1
221.00821	0.1
226.02667	5.3
227.03436	3.4
228.04062	0.3
229.01375	0.2
229.04999	0.1
229.99576	0.1
230.02022	0.1
239.03424	0.1
242.02109	0.1
243.02957	14.4
244.03485	0.7
245.04541	0.2
254.02176	4.7
255.02954	11.1
256.03394	0.5
271.02466	64.4
272.03000	4.2
273.04001	0.2
283.02448	0.3
285.04022	0.2
297.04184	0.1
299.02008	1.5
300.02731	66.3
301.03436	13.3
302.03915	0.6
325.03323	0.1
343.04608	0.7
346.18802	0.1
445.07947	0.1
463.08987	0.7
504.09119	0.6
505.09857	100.0
506.10184	5.6
525.33295	0.1
734.91742	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	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
57.28489	0.6
59.01250	1.5
60.98098	0.5
66.22176	0.5
67.83649	0.5
69.03306	0.7
71.01250	1.1
71.32903	1.0
72.54193	0.5
73.02818	100.0
74.03156	2.9
76.21353	0.5
81.03313	1.2
83.18922	0.6
87.22169	0.6
93.21497	0.6
99.00753	8.8
99.92462	2.4
116.92732	6.1
117.01818	13.2
117.23994	0.6
117.92788	0.9
118.02911	0.7
118.03957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00223	0.4
55.01736	0.5
57.03308	0.6
57.87224	0.5
59.01244	2.3
64.63892	0.4
69.03322	1.6
71.01249	1.8
71.04887	1.7
71.55178	0.6
73.02814	100.0
74.03151	3.7
81.03320	2.2
84.02032	0.9
87.00756	0.4
88.60471	0.4
90.00853	2.0
90.01655	0.5
91.02904	0.7
99.00159	0.6
99.00761	9.1
99.92463	4.7
100.01113	0.7
108.68169	0.4
116.92737	11.8
117.01831	13.3
117.05438	0.7
117.07383	0.9
117.92765	1.4
118.02868	1.8
118.04012	1.3
123.15411	0.4
135.47559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.6388
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	28.4
96.95869	0.4
96.96825	2.2
119.59352	0.3
150.97910	0.5
152.99489	40.1
153.99907	0.4
171.00551	11.2
179.69151	0.3
227.03119	2.0
245.04283	56.2
246.04692	1.2
253.21703	25.2
254.21989	0.9
287.18005	0.3
481.25702	100.0
482.26053	7.5
487.43976	0.3
708.35168	0.3
1135.53455	0.7
1136.54395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51811	2.0
55.78070	1.7
56.57862	2.0
57.03319	1.8
59.01252	31.7
60.36965	2.0
66.33721	2.1
71.01250	100.0
71.55563	3.2
72.01584	2.6
73.03962	3.2
74.02333	3.5
76.51234	2.0
85.02843	1.9
87.00730	10.0
89.01337	2.2
92.19257	2.2
115.00277	12.1
115.93233	2.4
116.02410	3.9
116.07059	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.6295
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96376	0.2
91.61257	0.2
96.95889	0.3
96.96849	0.8
99.91060	0.2
116.92760	0.3
122.00009	0.4
127.07510	0.2
140.01086	2.7
152.99484	2.5
159.82953	0.2
171.00546	1.7
196.03734	1.4
205.19618	0.2
214.04803	3.4
233.22714	0.4
259.20703	0.6
275.20160	0.5
277.21710	100.0
278.22067	4.4
278.24966	0.3
317.70096	0.2
400.22397	0.4
474.26233	59.5
475.20422	0.3
475.26596	3.1
476.27054	0.3
495.17606	0.2
577.27136	0.3
761.98175	0.2
922.32336	0.2
1100.44153	0.2
1155.97375	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	20.3
58.34657	1.4
67.01761	41.8
70.53323	4.1
71.01260	2.7
78.95779	17.0
79.95597	1.8
83.01260	56.2
83.53680	1.2
84.01596	2.1
85.02813	2.2
99.00752	1.8
110.89879	1.4
110.97459	4.4
111.00765	100.0
112.01083	5.7
115.53400	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	1097.6784
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95778	5.6
79.95607	0.1
80.96391	1.1
94.97969	0.3
96.95907	0.3
96.96825	0.2
152.98338	0.1
152.99500	1.5
155.29156	0.1
164.98578	0.2
168.04245	1.5
209.11908	0.2
224.06863	1.0
225.00722	0.4
241.77606	0.1
242.07935	2.5
261.22174	0.4
279.23279	100.0
280.23611	5.6
281.10623	0.1
309.20880	0.1
365.43445	0.1
433.23593	0.1
504.30957	76.3
505.31290	5.7
505.38928	0.2
517.27502	0.1
519.27606	0.7
577.26941	1.8
578.27014	1.8
578.34766	2.6
579.27100	0.3
579.35382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1094.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95770	1.3
78.98022	0.3
78.98460	3.2
79.95602	6.1
80.46996	0.1
80.96387	35.6
81.03316	0.3
81.19151	0.1
85.02825	1.4
87.00729	1.4
89.26852	0.1
90.90020	0.1
91.03882	0.1
94.97958	9.5
95.01260	0.3
96.95882	1.2
97.02827	1.0
99.00749	0.3
99.04401	0.1
101.02322	1.5
106.97966	1.9
113.02305	0.3
122.97467	3.4
125.02333	2.2
127.03896	0.5
134.97469	2.7
135.04382	0.1
136.99042	1.0
138.96912	0.1
146.97476	0.2
148.99039	4.3
152.98521	4.8
152.99443	0.2
164.98541	7.5
167.00075	0.4
168.04222	0.2
172.79369	0.1
176.98586	0.1
182.99629	1.8
185.80878	0.1
188.98538	0.3
191.05504	0.2
206.99626	2.7
224.06821	0.6
225.00690	15.9
226.01137	0.2
243.01744	1.8
277.21719	6.5
278.22028	1.4
299.01086	0.2
299.04404	2.9
317.05453	0.3
431.22293	0.1
502.29376	4.9
503.29730	2.9
577.26837	100.0
578.27222	6.0
678.60388	0.1
1015.64484	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	1094.5854
Annotation	Unknow
Peak:m/z	Relative Intensity
77.50287	0.2
78.95764	2.2
78.98461	2.7
79.95600	5.3
80.96387	32.0
81.03329	0.3
83.01277	0.2
85.02810	1.3
87.00746	1.4
90.52174	0.3
94.97958	8.5
96.95877	1.2
97.02827	0.8
98.20515	0.5
99.00764	0.4
101.02306	1.3
106.53597	0.2
106.97959	1.6
122.97463	3.4
125.02344	2.2
127.03897	0.3
133.02806	0.4
134.97469	2.7
136.99048	0.8
144.98978	0.2
148.99048	3.5
152.98518	4.7
152.99509	0.4
163.11273	0.2
164.98540	6.6
167.00046	0.4
168.04257	0.3
182.99649	1.6
188.98518	0.3
191.05487	0.4
206.99638	1.9
209.11754	0.8
224.06749	0.4
225.00694	14.6
225.11430	0.4
226.01120	0.3
236.03662	0.2
239.23042	0.2
242.08023	0.9
243.01767	1.6
259.20673	0.2
277.21713	26.1
278.22064	8.5
299.04407	2.7
302.81232	0.2
326.20679	0.3
359.14197	0.2
502.29382	19.0
503.29724	11.7
576.33008	0.5
577.26843	100.0
578.27106	5.7
842.47717	0.3
1094.51367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01237	1.9
85.02821	3.7
85.99956	0.3
87.00745	0.6
89.02312	1.7
93.03334	0.2
95.01254	0.8
96.95856	0.2
97.02812	0.4
98.19817	0.4
99.00771	0.9
101.02319	8.9
107.88692	0.2
109.06466	0.4
113.02329	3.6
119.03367	0.6
121.02840	1.3
121.06474	1.8
123.08051	1.3
125.02320	0.7
131.03407	0.3
135.08022	0.3
143.03357	0.5
151.00171	0.2
159.02924	0.5
161.04478	1.7
161.09634	0.3
177.12752	2.8
188.54262	0.2
191.05476	0.3
195.13795	2.3
209.11774	0.7
219.13818	0.2
221.11760	4.9
227.03423	1.8
239.12819	0.8
255.02942	3.2
256.03305	0.3
284.03253	4.4
285.03986	1.9
357.19135	0.9
383.17035	0.8
401.18134	18.9
402.18466	1.0
443.19180	100.0
444.19492	5.8
487.18427	2.0
488.19104	0.2
593.15076	5.8
594.15460	0.6
710.06598	0.2
1035.22473	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	1093.6471
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	6.8
78.98470	0.5
79.95596	0.9
80.96388	5.5
81.03339	0.1
83.04922	0.2
85.02815	0.2
87.00720	0.1
91.25939	0.1
93.03321	0.2
94.97961	1.4
96.95889	0.3
96.96865	0.2
97.02799	0.2
98.20548	0.2
101.02314	0.4
106.97958	0.2
113.05963	0.1
122.96111	0.1
122.97520	0.6
122.98334	0.2
123.08051	0.1
125.02319	0.3
126.19662	0.1
127.07539	0.3
133.02855	0.3
134.97459	0.4
135.04367	0.2
136.98949	0.1
142.19263	0.1
148.99026	0.6
152.98396	0.7
152.99583	1.3
155.64980	0.1
164.98509	1.2
168.04211	1.6
171.00552	0.1
173.04463	0.2
182.99654	0.2
191.05562	0.3
206.99600	0.4
224.06886	1.1
225.00693	2.4
233.22682	0.6
242.07935	3.5
243.01695	0.2
259.20563	0.5
275.20148	0.6
277.21707	100.0
278.22058	5.8
282.12845	0.1
299.04391	0.4
299.87106	0.1
407.81354	0.1
409.94089	0.1
415.31528	0.1
502.29382	98.5
503.29709	8.8
517.25922	0.7
576.24017	0.2
576.33093	3.8
577.26825	18.5
748.92462	0.1
1075.51208	0.2
1093.51807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00744	0.4
81.03330	0.2
83.01257	7.1
85.02824	2.1
87.00748	0.6
89.02318	2.5
93.03342	0.2
93.06971	0.2
95.01267	0.5
96.95904	0.2
97.02808	0.3
98.20513	0.2
99.00761	0.5
101.02319	15.1
102.02675	0.2
113.01608	0.3
113.02325	3.6
119.03416	0.9
121.06483	0.5
123.04542	0.2
125.02329	0.8
131.03386	0.9
133.06459	0.2
133.10071	0.4
134.03694	0.3
143.03384	0.8
149.04420	1.0
155.03372	0.3
159.08090	1.2
160.08849	0.2
161.04449	2.3
162.06740	0.2
173.04456	0.2
173.09627	0.5
175.11197	20.3
176.11484	0.6
191.05507	0.4
193.12267	1.4
203.05692	0.2
219.10223	2.3
221.06627	0.5
227.03447	0.4
243.02959	0.3
255.02887	1.1
280.02441	0.2
284.03171	0.9
285.03839	0.5
296.01907	0.2
300.02777	0.3
311.11777	0.2
337.16534	0.2
355.17599	0.7
399.16553	7.8
400.16919	0.5
441.17630	100.0
442.17957	6.9
485.16626	1.9
593.15131	1.1
594.15393	0.2
609.14838	0.4
666.55048	0.2
780.96045	0.2
852.41071	0.2
904.70056	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	1081.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01264	0.5
89.29903	0.2
94.75533	0.2
96.95847	0.3
107.01281	1.9
108.02050	0.5
109.02823	0.6
121.02843	0.9
125.02321	0.2
135.00772	0.5
148.01585	0.5
149.02271	0.2
149.79475	0.2
151.00275	6.1
153.09102	0.3
163.00301	1.0
164.92018	0.2
169.01309	0.8
178.99782	3.6
187.03839	0.3
198.03209	0.2
199.03914	0.5
203.03473	0.2
205.12338	0.2
211.03940	0.5
215.03328	0.4
216.04247	0.2
226.02681	1.2
227.03418	2.4
229.05052	0.5
239.03407	0.2
243.02957	7.2
244.03401	0.7
245.04459	0.5
252.90590	0.2
254.02248	1.8
255.02956	19.9
256.03296	0.8
266.01978	0.2
271.02466	41.2
272.02939	2.8
273.03943	0.6
283.02518	0.7
299.02032	1.6
300.02731	83.1
301.03455	22.4
302.03748	1.0
325.03534	0.2
343.04572	0.6
427.19846	0.3
607.13135	0.3
608.14288	0.2
609.14569	100.0
610.14874	8.0
611.15137	0.4
763.43945	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	1075.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
74.84351	0.7
80.96387	2.4
81.03345	1.9
83.04905	1.6
85.02823	5.8
87.00746	8.9
93.03332	56.8
93.32085	0.8
94.03650	1.1
94.97984	1.1
95.04898	1.5
96.95876	1.6
99.00785	0.8
105.03345	5.2
108.02042	1.2
109.02828	3.4
111.04401	7.0
112.36176	0.8
116.92674	0.8
121.02840	1.6
123.04305	0.9
124.01550	2.4
125.02369	1.1
127.03897	1.3
132.02069	3.0
133.02846	30.8
134.03683	7.0
135.04417	40.6
136.04745	1.1
137.02354	4.4
141.20915	0.9
150.03081	2.0
151.03908	2.7
155.03409	3.2
160.01550	2.3
161.02367	4.0
173.04463	30.9
177.00456	1.2
177.01868	14.4
178.02625	7.9
179.03433	7.9
191.05533	39.1
195.31567	0.8
209.11757	0.9
211.13287	1.7
215.03604	0.8
215.05336	3.8
293.95142	0.8
308.08917	1.2
309.14890	1.6
327.15906	1.5
351.07260	6.3
431.89282	1.0
577.26892	2.1
578.27100	2.1
579.28180	0.9
714.06305	0.8
716.91614	0.9
772.07129	0.9
839.45746	1.5
857.46826	3.0
883.44720	13.2
884.45453	1.7
901.45764	6.8
902.46527	1.5
1075.51196	100.0
1076.51440	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	1057.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
73.29552	0.1
79.13181	0.1
83.01254	0.8
91.01741	0.3
93.03335	0.3
96.92498	0.1
105.55653	0.1
107.01279	1.8
107.71813	0.1
108.02041	0.9
109.02802	0.7
121.02840	1.6
124.01502	0.3
125.02347	0.2
135.00778	0.7
136.01529	0.2
137.02289	0.2
148.01540	1.0
149.02336	0.2
151.00269	7.3
153.01787	0.3
159.04362	0.3
161.02328	0.2
163.00262	1.8
164.01025	0.5
165.01923	0.1
169.01353	1.0
178.99774	4.0
182.03508	0.2
183.04404	0.4
185.02388	0.2
185.05910	0.3
187.03862	0.3
190.99799	0.2
192.00504	0.3
193.01317	0.3
198.03069	0.2
199.03885	0.6
201.01904	0.1
201.05356	0.2
203.03403	0.3
211.03902	1.0
212.04677	0.2
215.03383	0.5
216.04181	0.5
226.02667	1.3
227.03427	5.1
228.03970	0.5
229.04987	0.9
229.71629	0.2
239.03442	0.3
242.01958	0.2
243.02954	8.2
244.03539	0.7
245.04544	0.9
254.02171	1.9
255.02954	24.9
256.03366	1.5
257.04453	0.4
270.01581	0.2
271.02457	45.7
272.02902	2.9
273.03976	0.8
283.02417	0.9
284.03244	7.5
285.03931	1.9
299.01984	1.6
300.02719	84.2
301.03452	31.7
302.03879	1.3
343.04501	0.3
361.91998	0.1
417.17734	0.2
418.80228	0.2
449.94226	0.1
461.07242	0.3
462.07721	0.3
463.08780	100.0
464.09137	6.5
464.15762	0.2
505.33517	0.2
593.15051	9.8
594.15137	0.9
650.23639	0.1
834.05743	0.2
856.12146	0.1
1057.69519	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	1051.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
77.14433	0.4
79.32072	0.3
81.03316	0.7
82.79509	0.3
83.01261	3.6
83.04884	0.5
85.02841	0.9
87.00752	1.2
90.44526	0.3
93.03330	10.6
95.01231	0.8
96.95875	2.3
97.06458	0.5
101.02311	0.5
107.01266	9.3
108.02077	0.4
109.02835	1.0
111.00771	0.5
111.04408	2.3
119.04951	0.4
123.00737	0.5
124.01551	4.5
125.02348	6.8
127.03838	0.5
132.02058	0.4
133.02859	1.8
134.03632	9.9
135.04431	3.7
137.02298	1.9
139.00243	0.4
141.01671	0.4
145.02919	0.4
149.02261	0.4
150.06679	0.4
150.65509	0.4
151.00273	32.2
152.01060	10.7
153.01851	2.8
155.03394	1.3
159.04446	0.6
160.01617	1.1
161.02344	2.7
162.03128	8.9
163.07625	0.5
169.01349	8.0
172.05171	0.4
173.04480	15.8
173.05949	1.7
174.04750	0.5
175.03894	0.9
177.01843	2.1
178.02493	0.4
178.99777	36.6
179.03331	1.2
180.00087	1.4
181.01416	0.6
185.05893	0.5
187.03983	1.1
187.07553	1.7
189.05475	2.4
191.05533	9.2
192.06032	0.4
193.29512	0.4
197.05911	0.5
199.07559	0.8
200.04692	1.9
201.05524	0.8
209.05905	0.4
209.11720	0.4
210.57100	0.3
211.04060	0.5
215.07068	14.7
216.07707	1.4
217.08658	1.7
225.05527	1.2
226.02620	0.6
226.06213	0.4
227.07088	1.8
231.10193	1.0
232.03691	0.7
239.07114	0.5
240.04228	0.5
241.05035	3.8
241.08693	0.5
242.05743	1.2
243.06529	2.9
253.04962	2.3
254.05782	1.2
255.02945	1.4
255.06584	0.6
257.08179	0.8
264.04312	0.9
265.05026	1.1
265.08627	0.9
267.06625	0.8
269.08099	1.0
270.05212	0.6
271.02527	1.7
271.06091	3.1
272.03223	0.5
275.09256	21.2
276.09567	0.5
277.05173	0.4
277.08606	0.7
278.05804	0.7
280.07321	0.5
281.04608	0.4
283.09821	0.6
291.06583	0.7
292.07306	0.5
293.04843	0.7
293.08179	2.5
296.03421	0.5
299.01849	1.1
300.02759	3.9
301.03247	0.6
305.08145	0.9
307.09766	0.7
309.04208	0.4
309.07840	0.7
311.09256	0.9
319.06161	0.5
321.04102	0.8
321.07397	0.5
322.04846	0.7
323.09225	0.6
325.07193	0.9
333.07703	2.6
334.08347	1.0
335.09177	0.7
336.06448	1.3
337.07114	0.6
351.08572	1.3
352.08115	0.7
353.06650	7.5
361.07184	1.1
378.07297	0.9
379.08182	5.3
380.08743	0.5
397.09280	16.1
398.09586	0.7
449.14502	19.6
450.14917	1.5
475.12460	1.3
559.14532	4.9
560.14648	0.5
573.75769	0.4
583.14832	0.5
601.15619	100.0
602.15936	9.9
641.42609	0.5
845.49573	1.4
1088.85229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	19.3
59.07689	1.2
63.90606	1.2
65.01295	3.2
65.99697	1.4
68.59582	1.2
70.90820	1.6
70.91184	2.8
72.99176	81.3
73.99506	2.6
75.00745	43.2
86.24815	1.2
103.00208	1.6
105.01814	100.0
106.02177	2.9
106.03987	9.4
108.60109	1.4
124.84106	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	1051.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
77.14433	0.4
79.32072	0.3
81.03316	0.7
82.79509	0.3
83.01261	3.6
83.04884	0.5
85.02841	0.9
87.00752	1.2
90.44526	0.3
93.03330	10.6
95.01231	0.8
96.95875	2.3
97.06458	0.5
101.02311	0.5
107.01266	9.3
108.02077	0.4
109.02835	1.0
111.00771	0.5
111.04408	2.3
119.04951	0.4
123.00737	0.5
124.01551	4.5
125.02348	6.8
127.03838	0.5
132.02058	0.4
133.02859	1.8
134.03632	9.9
135.04431	3.7
137.02298	1.9
139.00243	0.4
141.01671	0.4
145.02919	0.4
149.02261	0.4
150.06679	0.4
150.65509	0.4
151.00273	32.2
152.01060	10.7
153.01851	2.8
155.03394	1.3
159.04446	0.6
160.01617	1.1
161.02344	2.7
162.03128	8.9
163.07625	0.5
169.01349	8.0
172.05171	0.4
173.04480	15.8
173.05949	1.7
174.04750	0.5
175.03894	0.9
177.01843	2.1
178.02493	0.4
178.99777	36.6
179.03331	1.2
180.00087	1.4
181.01416	0.6
185.05893	0.5
187.03983	1.1
187.07553	1.7
189.05475	2.4
191.05533	9.2
192.06032	0.4
193.29512	0.4
197.05911	0.5
199.07559	0.8
200.04692	1.9
201.05524	0.8
209.05905	0.4
209.11720	0.4
210.57100	0.3
211.04060	0.5
215.07068	14.7
216.07707	1.4
217.08658	1.7
225.05527	1.2
226.02620	0.6
226.06213	0.4
227.07088	1.8
231.10193	1.0
232.03691	0.7
239.07114	0.5
240.04228	0.5
241.05035	3.8
241.08693	0.5
242.05743	1.2
243.06529	2.9
253.04962	2.3
254.05782	1.2
255.02945	1.4
255.06584	0.6
257.08179	0.8
264.04312	0.9
265.05026	1.1
265.08627	0.9
267.06625	0.8
269.08099	1.0
270.05212	0.6
271.02527	1.7
271.06091	3.1
272.03223	0.5
275.09256	21.2
276.09567	0.5
277.05173	0.4
277.08606	0.7
278.05804	0.7
280.07321	0.5
281.04608	0.4
283.09821	0.6
291.06583	0.7
292.07306	0.5
293.04843	0.7
293.08179	2.5
296.03421	0.5
299.01849	1.1
300.02759	3.9
301.03247	0.6
305.08145	0.9
307.09766	0.7
309.04208	0.4
309.07840	0.7
311.09256	0.9
319.06161	0.5
321.04102	0.8
321.07397	0.5
322.04846	0.7
323.09225	0.6
325.07193	0.9
333.07703	2.6
334.08347	1.0
335.09177	0.7
336.06448	1.3
337.07114	0.6
351.08572	1.3
352.08115	0.7
353.06650	7.5
361.07184	1.1
378.07297	0.9
379.08182	5.3
380.08743	0.5
397.09280	16.1
398.09586	0.7
449.14502	19.6
450.14917	1.5
475.12460	1.3
559.14532	4.9
560.14648	0.5
573.75769	0.4
583.14832	0.5
601.15619	100.0
602.15936	9.9
641.42609	0.5
845.49573	1.4
1088.85229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02833	1.1
73.07343	0.8
77.03830	1.8
81.03336	4.6
83.04890	3.5
85.02821	13.7
85.56747	1.0
87.00745	12.0
88.98676	1.3
93.03336	93.1
94.03663	2.0
95.01274	1.3
95.04890	2.8
96.95878	2.7
97.02818	1.0
98.19827	1.4
99.00764	0.9
99.04411	1.5
101.02321	1.1
105.03333	10.0
107.04892	0.8
108.02039	2.2
109.02837	8.4
111.00755	1.6
111.04401	12.3
113.97916	0.7
115.03874	0.8
121.02854	4.8
122.03599	1.2
123.04399	2.4
124.01580	5.6
125.02346	2.4
127.03901	3.5
129.01810	1.7
132.02058	4.6
133.02850	68.7
134.03658	18.1
135.04417	86.7
136.04762	1.9
137.02348	12.7
139.03946	4.9
147.04369	0.9
149.02379	2.1
150.03102	4.4
151.00302	0.8
151.03935	8.5
155.03387	6.3
158.03673	0.9
159.04411	1.5
160.01558	3.2
161.02364	9.5
163.03906	1.1
171.97485	0.9
172.05222	0.8
173.04469	61.1
174.03136	1.9
174.04753	1.1
175.04008	0.9
177.01848	23.0
178.02646	15.0
179.01875	1.1
179.03430	18.2
187.03860	1.9
188.04724	0.8
189.03902	1.3
191.05537	91.3
192.05896	2.2
198.06850	0.9
202.06277	1.2
207.04979	1.9
209.11778	8.2
210.12239	0.9
211.13353	4.2
215.05495	4.9
237.40521	0.7
253.09290	0.8
281.15146	1.0
283.13358	2.5
299.16507	1.9
301.14551	0.8
307.08182	2.3
308.08984	4.7
309.14938	6.0
311.12784	1.0
325.14566	1.5
327.12183	1.3
327.15988	13.9
328.16199	1.1
351.07239	12.6
352.07935	5.0
353.13840	4.1
371.14935	1.7
403.26266	0.9
581.25897	2.1
607.23871	1.6
730.59314	0.8
773.37268	2.9
791.38446	16.8
792.38110	1.5
817.36554	22.3
818.36847	1.7
835.23157	1.3
835.37775	15.0
836.37708	1.1
849.39099	8.3
850.39563	1.7
859.83569	1.0
867.40588	8.9
991.43011	1.6
1009.42883	40.2
1010.43445	5.7
1023.44098	1.5
1041.45471	100.0
1042.45801	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	1011.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	1.2
73.02805	0.3
77.30427	0.2
83.01260	0.3
85.00093	0.1
85.02809	0.5
89.02309	0.4
89.85292	0.2
91.01788	0.2
95.01227	0.2
96.95905	0.3
99.00800	0.2
101.02312	1.3
107.01258	0.8
108.02038	0.6
109.02822	0.4
113.02306	0.6
119.03458	0.2
121.02831	0.6
124.01507	0.2
135.00778	0.5
148.01556	0.9
151.00264	3.0
152.01033	0.2
163.00310	0.6
164.01035	0.3
169.01341	0.4
177.12669	0.2
178.99782	2.1
187.03751	0.2
195.13905	0.2
198.03148	0.3
198.21890	0.2
199.03903	0.4
211.03947	0.4
215.03381	0.4
216.04176	0.4
221.11768	0.4
226.02695	0.9
227.03407	1.8
229.04953	0.4
243.00458	0.3
243.02939	6.4
244.03459	0.5
254.02145	1.3
255.02956	18.5
256.03345	0.9
271.02460	37.6
272.02902	3.0
273.03958	0.3
284.03287	1.9
285.03998	0.7
299.01956	1.5
300.02725	75.2
301.03296	8.2
302.03616	0.2
316.01968	0.2
327.08554	0.2
350.58542	0.2
377.96289	0.2
401.18146	11.9
402.18298	0.8
489.10074	0.2
545.21191	0.2
609.14569	100.0
610.14923	10.6
625.13843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01231	0.2
73.02853	0.2
79.81149	0.2
83.01251	0.4
88.32839	0.2
91.50040	0.2
93.03335	0.4
95.01262	0.9
96.21240	0.2
96.99181	0.3
101.02348	0.2
107.01259	1.7
108.02083	0.4
109.02845	1.0
109.99986	4.4
110.31371	0.2
111.00768	2.3
119.04877	0.4
121.02827	0.8
123.00766	1.1
124.01517	0.7
124.98736	0.3
125.02320	0.9
133.02809	0.3
135.00778	0.5
136.01587	0.2
136.98682	1.0
137.02304	0.4
137.99512	1.8
139.00259	5.4
139.03900	0.3
143.05017	0.3
143.66757	0.2
148.01593	0.7
149.02362	0.6
151.00269	4.2
152.01044	1.2
153.01773	0.3
154.04156	0.3
157.02847	0.3
159.04430	0.6
161.02348	0.7
163.00261	1.5
163.03883	0.4
164.01126	1.2
164.98183	0.4
165.01732	0.2
165.98972	6.5
166.99773	2.5
169.01355	0.5
171.04422	0.8
172.05264	0.2
173.02351	0.3
174.03148	0.6
175.03951	0.8
176.01021	0.3
177.01826	0.4
178.99786	5.6
180.00259	0.5
183.04449	0.6
185.02396	0.3
186.03127	0.4
187.03915	0.7
189.01883	0.2
190.02713	0.4
190.99811	0.4
191.03415	0.3
192.00519	0.5
193.01440	0.3
193.98492	0.6
194.99249	0.6
197.02379	0.5
198.03108	1.1
199.03912	1.9
200.04669	0.4
201.01830	1.4
201.05446	0.2
202.02687	0.4
203.03412	1.2
206.99425	0.3
211.03944	0.3
213.01804	0.3
214.02640	0.8
215.03459	1.4
216.04172	0.8
217.01367	0.4
218.02068	0.3
219.02808	0.4
226.02634	1.0
227.03404	3.2
228.03992	0.3
229.01347	0.7
229.93745	0.3
230.02164	0.5
231.03030	1.5
232.03697	0.5
241.01335	0.9
242.02126	2.5
243.02956	6.8
244.03650	1.3
245.00854	0.5
245.04442	0.7
254.02226	0.5
255.02983	7.9
256.03384	0.5
258.01608	0.5
259.02429	2.1
260.02966	0.4
269.00882	0.6
270.01675	4.4
271.02466	37.1
272.02975	3.6
273.03864	1.2
283.02341	0.3
286.01212	0.3
287.01962	16.3
288.02628	3.0
289.03461	0.4
297.00433	0.7
298.00998	2.0
299.01932	15.7
300.02722	26.7
301.03464	6.7
302.03726	0.6
307.59381	0.3
315.01517	1.6
315.04605	0.3
316.02216	44.9
316.29678	0.2
317.02911	12.6
318.03403	0.7
348.36029	0.3
463.08658	0.7
479.08212	1.3
492.08801	0.3
503.08441	1.3
505.09869	32.5
506.10284	3.1
519.07642	1.0
520.08276	2.5
521.09338	100.0
522.09631	8.4
703.38831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10444	2.2
70.92088	0.6
71.01241	1.7
73.02814	0.8
75.00724	0.6
75.44649	0.6
83.01255	9.2
93.03345	2.2
95.01243	1.9
96.95904	2.1
101.02335	1.0
107.01267	23.7
109.02829	4.3
111.00763	1.2
119.01296	0.7
121.02853	4.2
123.00790	1.2
124.01554	5.2
125.02321	3.2
133.02850	1.2
135.00755	1.7
137.02328	2.7
139.03882	0.9
143.50597	0.7
145.02875	1.1
147.00807	0.8
147.04356	0.8
148.01538	1.5
149.02327	4.6
151.00270	56.3
152.01065	11.9
153.01848	9.0
154.06104	1.0
157.02946	1.0
159.04488	0.8
161.02348	2.3
163.00256	4.7
165.01839	1.6
169.01349	15.5
169.02760	1.3
171.04404	0.9
175.00302	2.7
175.03902	3.0
177.01839	1.0
178.99779	68.0
180.00087	2.6
181.01335	0.9
183.04402	1.7
185.02393	1.9
187.03966	1.2
189.01866	2.8
189.33217	0.7
190.99767	1.9
191.05455	1.6
192.00623	4.0
193.01344	12.0
195.04506	0.8
197.02386	1.2
198.03104	2.1
199.03931	3.7
203.03371	5.3
209.02330	0.8
211.03934	1.8
213.01860	3.2
214.02626	1.9
215.03456	2.9
217.01367	0.9
225.01894	2.8
226.02698	5.1
227.03438	10.0
228.04152	1.9
229.01396	2.0
229.04971	1.5
231.02867	1.5
237.01915	3.8
239.03450	3.2
240.03978	0.9
241.01349	4.0
242.02151	2.7
243.02911	4.7
244.03571	1.1
245.04451	1.6
251.03487	1.0
253.01460	8.0
254.02162	7.4
255.02965	12.5
256.00055	1.1
256.03458	1.6
257.00845	1.9
258.01529	0.9
259.02460	2.2
265.01340	0.9
265.04913	1.3
266.02255	1.0
267.02905	3.9
269.00894	31.7
269.03897	1.6
270.01440	2.8
270.04202	0.8
271.02448	18.7
272.02945	1.2
277.05017	1.4
279.03079	1.2
280.00241	0.8
281.00903	4.7
282.01611	2.9
283.02478	5.1
284.03214	2.0
285.04004	1.0
291.03320	0.8
291.06641	1.2
292.03836	1.0
293.04449	1.7
293.35635	0.8
294.01529	0.9
295.02457	3.0
296.03217	1.2
297.00400	3.4
297.03839	1.8
298.01117	1.2
299.01974	9.2
300.02676	3.4
301.03662	1.5
305.04465	1.3
307.02438	1.1
309.03943	1.9
311.01959	1.7
313.03659	1.1
317.04587	1.7
319.06165	1.2
321.03873	2.1
329.04596	1.7
330.05234	1.1
332.03177	0.9
333.03894	1.9
334.04837	1.5
335.05814	1.3
337.03448	1.5
339.05243	1.5
340.02133	2.0
341.03104	4.3
345.04172	1.8
347.05582	3.4
349.03586	1.2
351.04849	0.9
360.02509	1.2
361.03516	3.0
363.05206	2.3
365.02969	2.6
373.03604	3.0
374.04111	1.1
375.04956	3.9
377.03040	2.2
379.04333	1.4
387.01010	1.1
389.02853	8.3
390.03687	1.5
391.04575	3.1
392.05255	1.9
393.06223	0.9
401.02740	1.0
402.03656	0.8
403.04504	2.6
404.05295	3.4
405.06332	12.7
406.02686	1.4
407.04037	8.1
408.04681	1.3
409.05780	1.7
415.23163	0.8
417.02554	1.5
418.03232	7.5
419.04056	23.6
420.04510	4.1
421.05765	7.7
431.04138	2.0
433.01758	7.6
443.18863	1.5
447.03424	3.8
448.04327	2.7
449.05103	4.9
451.03125	2.8
463.08768	1.8
475.03302	1.9
545.09222	0.8
555.05658	1.1
583.04919	6.5
584.05859	1.3
593.15222	0.9
599.03894	0.9
600.05536	2.1
601.06171	42.7
602.07007	4.2
623.10199	1.7
653.11963	0.9
763.11487	1.8
787.11749	2.5
804.11786	2.5
805.12561	100.0
806.12939	12.3
857.17865	1.2
877.46173	0.8
967.18066	2.5
1009.18842	71.9
1010.18866	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	997.6249
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07047	0.3
70.06564	0.3
71.07372	1.8
71.60612	0.4
79.05481	0.4
81.07050	0.5
86.09700	25.0
91.05453	0.3
93.07016	0.4
95.08605	0.5
98.98447	2.2
104.10721	3.8
125.00001	16.2
143.01028	0.5
144.50789	0.3
169.91042	0.3
184.07327	100.0
185.07651	0.5
232.94560	0.3
405.60632	0.3
502.32965	2.0
520.33972	18.4
610.61517	0.3
997.53235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.605
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57191	0.6
78.95773	28.6
96.95887	1.1
96.96848	1.8
111.18139	0.4
116.92696	0.8
152.99486	40.7
153.99846	0.7
171.00549	9.7
172.00717	0.4
209.11707	0.7
227.01341	0.4
227.03122	2.3
245.04283	54.1
246.04703	1.1
253.21690	22.4
254.22025	0.9
255.23167	0.5
481.25702	100.0
482.26071	9.1
507.26703	0.5
733.58655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	3.1
70.06593	1.2
71.01337	0.2
71.04983	0.4
71.60959	0.2
72.08154	0.2
73.02914	0.9
81.03412	3.0
81.05526	0.1
83.01347	0.2
83.04930	0.2
84.04485	0.2
84.08126	0.4
85.02896	5.3
86.09701	0.3
91.05486	0.5
95.04955	0.2
97.02876	2.0
99.00789	0.1
99.04446	1.1
103.03912	0.2
104.47237	0.1
106.63219	0.1
107.04944	0.3
109.02872	1.8
111.00785	0.5
111.04436	0.6
112.31360	0.1
115.03920	0.2
119.04936	0.8
120.08092	0.3
121.02858	12.0
123.04436	0.3
127.03911	4.0
129.10234	0.3
133.04926	0.7
137.02344	0.3
145.04929	1.3
145.50645	0.1
147.04398	5.3
153.01814	8.0
155.08171	0.2
161.06004	0.3
165.01831	0.2
171.02991	0.3
175.03905	0.3
177.05418	0.2
187.04140	0.2
187.06018	3.1
189.05455	1.3
191.03319	0.7
203.03331	1.3
205.07030	2.1
213.05499	0.1
215.03413	0.3
217.05022	0.7
227.03424	0.4
229.04962	0.3
239.03566	0.2
241.05060	0.2
243.02971	0.4
245.04358	0.8
247.07768	0.2
253.04881	0.2
255.02898	0.4
257.04468	0.5
258.05234	0.2
259.05969	0.2
263.06961	0.4
267.02924	0.2
269.04449	0.3
271.02338	0.8
272.03058	0.2
273.03848	1.3
279.02692	0.2
279.06552	0.2
281.04395	0.2
283.02618	0.2
283.06012	0.6
285.03900	1.3
286.04901	0.4
287.05435	2.1
288.05682	0.2
291.06580	0.3
293.04617	0.2
295.02557	0.2
297.03934	3.1
297.06995	0.1
298.04678	0.7
299.02383	0.2
299.05609	0.5
301.03268	0.7
303.06537	0.3
305.08194	0.4
307.06076	0.3
309.07462	0.2
311.05228	0.7
313.03418	1.6
315.04819	1.4
319.05972	0.6
321.03784	0.2
321.07413	0.3
323.05524	0.4
325.03314	1.1
331.05984	0.8
333.07520	0.5
335.05692	0.2
337.03427	0.5
337.06842	0.3
339.05084	0.6
341.02921	0.2
341.06354	0.6
343.04596	0.4
345.03979	0.2
347.05405	0.9
349.03296	0.2
349.07040	1.4
350.07727	0.3
351.04984	0.5
351.08804	0.3
359.05484	0.9
360.06122	0.2
361.07037	0.9
363.05118	0.4
364.05988	0.2
365.06705	0.4
366.07578	0.2
367.04364	0.7
369.07480	0.4
373.07236	0.3
375.05066	0.3
376.05688	1.8
377.06540	1.8
378.07367	0.6
379.03928	0.3
379.08246	0.4
385.05862	0.2
387.04602	0.3
389.06775	0.5
391.04453	0.5
392.05341	0.2
393.01822	0.3
393.06238	0.4
394.06949	1.1
395.08069	0.3
397.06882	0.2
401.06696	0.5
403.07837	0.3
405.05984	4.1
407.07724	0.9
415.08969	0.8
421.05920	0.2
425.06546	0.3
427.08295	0.2
429.06152	0.7
435.07263	1.6
437.05045	0.3
439.08292	0.2
443.07800	1.1
445.09146	0.6
453.04895	1.0
467.07016	0.4
471.07043	3.0
485.09119	0.7
489.08182	0.2
495.07153	0.8
499.06522	0.4
503.09827	0.2
513.08099	2.0
523.06757	0.3
527.06018	0.2
531.09222	4.8
532.09039	0.3
541.07715	0.6
558.08051	0.3
559.08557	1.1
569.07001	0.7
579.88104	0.2
587.08148	100.0
588.08539	3.5
599.07977	0.2
611.07599	0.8
629.08984	0.4
653.08923	0.5
677.09076	0.4
695.09918	0.5
814.78699	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	995.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	3.5
70.06562	0.8
70.07183	0.3
71.01348	0.3
71.04978	0.3
72.08151	0.2
73.02909	1.6
76.78626	0.1
79.05486	0.1
81.03411	3.1
83.01319	0.2
84.04504	0.2
84.08111	0.3
85.02895	5.4
86.09695	0.3
87.04443	0.1
91.05468	0.6
95.04965	0.3
97.02877	2.1
98.20837	0.1
99.04434	1.0
103.03923	0.3
103.05460	0.1
105.03352	0.2
107.04937	0.5
109.02859	2.0
111.00795	0.3
111.04456	0.7
115.03915	0.4
119.04932	1.1
120.08096	0.2
121.02855	14.2
121.03873	0.6
123.04438	0.5
127.03907	4.5
129.10115	0.1
131.04892	0.2
133.02814	0.1
133.04947	0.8
133.06448	0.1
137.02353	0.4
139.03877	0.2
145.02876	0.1
145.04942	1.8
145.06207	0.1
147.04393	5.7
153.01813	9.1
154.02139	0.2
161.02396	0.1
161.05974	0.2
163.03870	0.2
165.01831	0.3
169.05002	0.1
171.02908	0.5
171.04338	0.2
173.05870	0.1
175.03912	0.5
177.05524	0.2
187.04037	0.3
187.05986	3.6
189.01820	0.1
189.05435	1.3
191.03384	0.7
199.03915	0.3
201.05563	0.2
203.03395	1.8
205.07043	2.3
207.02905	0.2
211.03835	0.1
213.05518	0.2
215.03387	0.4
216.04192	0.3
217.04951	0.8
227.03346	0.3
229.04964	0.5
231.02867	0.2
231.06505	0.3
235.07645	0.1
237.05420	0.1
239.03416	0.1
241.05000	0.2
243.02988	0.5
244.03696	0.2
245.04382	1.1
247.07707	0.2
253.04984	0.2
255.02779	0.5
256.03680	0.2
257.04306	0.7
258.05072	0.2
259.05841	0.2
263.07010	0.4
265.05048	0.2
265.08591	0.1
267.02994	0.1
267.06445	0.1
269.04443	0.5
271.02353	1.3
272.03049	0.3
273.03891	1.9
274.04050	0.1
277.08466	0.1
279.06564	0.1
280.05460	0.1
281.04346	0.2
283.02698	0.2
283.05811	0.5
284.02893	0.2
285.03772	1.1
286.04797	0.5
287.02078	0.2
287.05316	2.3
291.06586	0.3
293.04370	0.2
294.05106	0.1
295.02588	0.2
295.05978	0.3
297.03912	3.6
298.04633	1.0
299.02039	0.2
299.05542	0.3
301.03336	0.8
303.06531	0.4
304.07220	0.2
305.04636	0.2
305.08096	0.5
307.05923	0.3
309.07474	0.1
311.05228	0.7
313.03345	1.8
315.04871	2.0
319.06039	0.6
321.03946	0.5
321.07635	0.4
322.04819	0.2
323.05560	0.5
325.03329	1.0
325.06757	0.1
331.05997	1.1
332.06943	0.2
333.03934	0.2
333.07593	0.5
335.05426	0.5
335.09030	0.1
337.03354	0.5
337.07150	0.4
339.05060	1.0
341.02850	0.2
341.06635	0.7
343.04779	0.5
345.03818	0.2
345.07626	0.1
347.05429	1.0
348.06079	0.2
349.03357	0.3
349.07120	1.2
350.07822	0.4
351.04959	0.6
351.08618	0.2
359.05460	1.0
360.06140	0.3
361.03479	0.2
361.07214	1.0
363.04922	0.6
364.05771	0.2
365.06757	0.6
366.07355	0.3
367.04352	0.8
369.02448	0.2
369.07614	0.3
371.05508	0.2
373.07098	0.3
375.04993	0.3
376.05713	2.0
377.02469	0.1
377.06567	1.9
378.07227	0.5
379.04321	0.3
379.08206	0.5
381.06998	0.1
385.05762	0.4
387.04926	0.3
387.08987	0.2
389.06717	0.6
390.45645	0.1
391.04434	0.5
391.12271	0.1
392.05045	0.1
393.06534	0.5
394.06784	0.9
397.07053	0.5
401.06583	0.2
403.08255	0.4
404.04886	0.1
405.06009	4.7
406.06503	0.5
407.07822	1.2
409.05563	0.2
411.08188	0.2
415.03592	0.2
415.08682	1.2
419.03583	0.4
421.05997	0.3
425.06570	0.3
427.07944	0.3
429.05762	0.6
433.05334	0.2
435.07251	1.7
437.05060	0.4
439.08096	0.4
443.07904	1.2
445.08878	0.7
453.04788	1.0
457.09235	0.3
465.04575	0.2
467.07428	0.6
471.07071	3.1
472.07816	0.1
485.08673	0.9
489.08099	0.2
495.06970	0.9
499.06592	0.7
503.09473	0.2
513.08130	2.3
514.08466	0.1
523.06549	0.2
527.06250	0.3
531.09216	5.9
532.09558	0.3
541.07471	0.7
558.07794	0.4
559.08545	1.2
560.09186	0.2
569.06781	0.6
587.08130	100.0
588.08478	3.9
595.27411	0.2
611.08136	0.8
629.09222	0.5
653.09192	0.6
677.09180	0.3
695.10095	0.7
773.13458	0.2
791.15118	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	986.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	5.7
69.07064	16.7
69.93390	8.9
71.04991	4.2
72.43031	1.4
73.02892	1.6
79.05117	1.2
79.05486	49.2
81.03415	11.0
81.07053	68.8
83.04980	6.8
83.08604	9.5
85.02888	7.9
85.06552	4.3
91.03955	4.0
91.05476	40.7
91.06008	3.0
93.07036	60.6
95.04959	10.1
95.08599	49.5
97.02888	6.4
97.06509	8.2
97.10167	5.8
98.12323	1.8
99.04446	2.2
99.08095	3.1
105.07029	33.6
107.04963	5.4
107.08587	35.1
107.09290	2.6
109.02909	2.1
109.06512	3.8
109.10146	22.7
111.08151	2.6
115.05468	1.8
117.07011	15.8
119.08568	26.4
121.06477	1.8
121.10130	24.1
123.08071	4.3
123.11714	6.7
125.09642	4.8
127.03912	5.3
129.07033	4.5
130.10783	1.6
131.08557	24.5
133.10112	19.6
135.08060	4.7
135.11676	13.6
137.09636	3.6
141.07121	1.7
143.08566	6.3
145.04985	2.0
145.10097	16.8
147.07948	1.8
147.11618	10.3
149.09605	5.8
149.13210	8.1
155.08572	2.8
157.10132	6.2
159.11694	12.1
161.13287	5.5
163.11195	1.8
163.14833	2.6
169.10123	3.7
171.11664	4.5
173.04482	2.3
173.11862	2.9
173.13252	8.0
175.14833	2.7
177.12775	3.2
179.14345	2.7
183.11632	3.3
185.13284	5.2
187.14824	3.7
189.11147	2.0
195.13860	3.2
199.14847	3.0
201.16411	2.6
213.14644	1.9
217.15919	2.3
227.12805	7.2
229.14330	16.4
235.16934	3.2
239.17928	3.5
241.19685	1.7
243.21182	2.2
247.20905	1.6
255.16020	2.1
257.18988	8.1
259.20673	3.3
261.22086	11.0
267.15851	3.6
269.17395	12.9
275.19980	18.3
277.21796	2.3
291.19641	1.9
305.65140	1.7
309.20624	8.4
313.82379	1.5
331.22543	3.4
335.25787	100.0
336.26285	2.7
349.23679	23.0
351.25061	1.9
373.07700	1.7
430.94073	1.8
489.35608	10.2
515.37250	7.6
529.31458	3.1
529.38916	42.7
543.40070	3.5
569.41919	22.8
609.36279	2.4
609.45148	32.5
627.46173	11.6
986.57422	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	969.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	0.8
69.03428	2.2
69.51062	1.0
70.06587	0.2
70.92955	0.1
71.01347	0.3
71.04990	0.3
73.02905	1.0
77.57330	0.1
78.00411	0.1
81.03416	2.5
83.01341	0.3
85.02896	3.8
86.09677	0.2
89.03895	0.2
91.03946	0.4
91.05498	0.1
93.03378	0.2
95.04977	0.2
97.02885	1.6
99.04441	0.7
103.03913	0.2
109.02866	1.4
111.00796	0.5
111.04456	0.1
115.03931	0.3
117.03413	0.2
121.02867	0.7
123.04406	0.3
125.02271	0.1
127.03906	3.0
131.04984	0.2
133.04988	0.4
135.04411	0.7
137.02336	12.5
137.03389	0.8
145.02852	0.5
145.04956	1.2
147.04404	0.3
149.02328	0.5
153.01813	9.9
159.04340	0.2
161.02325	0.6
161.05875	0.2
163.03894	3.8
165.01872	0.3
171.02986	0.3
175.03955	0.4
177.01900	0.4
177.05405	0.2
183.02899	0.2
183.04480	0.2
187.03976	0.6
187.06049	1.8
189.01881	0.4
189.05486	0.3
191.03447	0.2
199.03835	0.3
201.05460	0.2
203.03371	1.5
204.04094	0.1
205.04997	0.9
205.07092	1.2
207.02850	1.3
211.03981	0.2
213.05498	0.2
215.03458	0.4
216.04253	0.2
217.04967	0.7
219.02756	0.1
227.03447	0.5
228.04190	0.2
229.04985	0.5
230.88251	0.1
231.02940	0.3
237.05576	0.2
239.03485	0.3
241.05055	0.3
242.56593	0.1
243.02971	0.4
245.04398	1.5
251.07236	0.2
253.04900	0.2
255.02951	0.7
255.06467	0.2
257.04343	0.7
259.06122	0.2
263.07162	0.3
265.04974	0.3
266.05612	0.1
267.03015	0.2
267.06537	0.2
269.04575	0.6
271.02319	1.3
273.03836	2.3
274.04669	0.4
279.06573	0.5
281.04434	0.2
283.02417	0.4
283.05981	0.5
284.03217	0.3
285.03824	1.3
287.05563	0.5
291.06448	0.3
293.04599	0.4
293.08044	0.1
295.02585	0.3
295.06180	0.4
297.03915	2.8
297.06955	0.2
298.04691	1.2
299.02017	0.2
299.05460	0.4
301.03226	1.1
302.04111	0.7
303.04874	2.2
305.04446	0.3
307.06146	0.5
308.14066	0.2
309.04016	0.3
311.02411	0.2
311.05374	0.8
313.03421	1.7
314.03995	0.2
315.04935	1.5
318.04996	0.2
319.05945	0.8
321.03922	0.4
321.07346	0.3
322.04562	0.2
323.05569	0.4
325.03531	0.9
325.07001	0.2
327.05112	0.2
331.05893	0.3
333.03903	0.3
335.05383	0.8
337.03448	0.5
337.07101	0.4
339.04926	0.7
341.02771	0.3
341.06491	1.3
343.04492	0.4
346.04675	0.3
347.05386	1.3
348.06335	0.3
349.07193	0.7
351.04922	0.5
353.06799	0.4
359.05466	0.3
361.03311	0.3
361.07147	0.2
363.04904	0.8
364.05740	0.2
365.06534	1.0
366.07333	0.2
367.04376	0.6
369.02472	0.2
369.07056	0.2
375.04846	0.6
377.06509	0.9
379.04504	0.6
380.05469	0.3
381.06119	0.7
382.07111	0.2
385.06796	0.3
389.06699	0.3
391.04471	0.5
392.05157	1.3
393.06155	1.9
394.06918	0.4
395.07675	0.5
403.04465	0.4
405.06082	0.4
407.04239	0.3
409.05621	0.6
410.06244	0.7
411.07242	0.5
413.06583	0.5
417.06104	0.2
419.03497	0.3
420.04468	0.1
421.05533	3.4
422.05914	0.3
423.07425	0.7
427.07092	0.3
431.03452	0.3
433.05569	0.2
435.03647	0.3
437.05209	0.2
439.94305	0.1
441.06229	0.3
445.05432	0.6
449.05045	0.3
451.06641	1.0
453.04492	1.0
455.07416	0.2
459.07242	0.8
465.04523	0.4
469.05542	0.3
473.08850	0.3
483.06985	0.8
487.06592	2.2
501.08231	0.9
511.06561	0.9
515.06213	0.5
529.07764	1.9
539.06097	0.2
543.05359	0.2
547.08661	3.9
548.08997	0.2
557.07007	0.6
574.07037	0.3
575.08148	1.1
585.06726	0.5
603.07635	100.0
604.07904	3.5
627.07623	0.5
645.09161	0.3
669.08398	0.6
693.08643	0.2
711.10016	0.3
727.17627	0.2
828.72510	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	969.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99781	0.8
69.03062	0.2
69.03424	2.7
70.06600	0.7
70.06937	0.1
71.04981	0.5
71.59505	0.2
73.02905	1.1
77.03954	0.1
81.03410	2.7
84.04481	0.1
84.08117	0.1
85.02894	4.7
86.06081	0.2
86.09695	0.2
89.03911	0.2
91.03954	0.4
91.05489	0.2
95.04943	0.4
97.02878	2.1
99.04427	0.9
103.03960	0.3
103.05405	0.2
107.01350	0.2
107.04972	0.2
109.02863	1.7
111.00795	0.5
111.04414	0.2
115.03906	0.4
117.03344	0.3
119.04941	0.2
121.02869	1.0
123.04426	0.5
125.10981	0.1
127.03902	3.9
129.10164	0.2
131.04973	0.2
133.04951	0.4
135.04404	0.8
137.02333	14.1
137.03381	1.0
138.03073	0.2
139.03847	0.2
145.02837	0.7
145.04921	1.3
147.04366	0.7
149.02367	0.7
149.05952	1.2
153.01814	11.5
161.02319	0.6
161.05986	0.2
163.03886	4.1
164.04173	0.1
165.01817	0.7
166.02596	0.2
171.02885	0.4
172.05003	0.1
175.03920	0.6
177.01840	0.3
177.05443	1.9
179.03416	0.3
183.02884	0.2
185.44978	0.1
187.03983	0.4
187.06036	2.0
189.01837	0.4
189.05455	0.3
191.03346	0.2
195.02898	0.2
199.03912	0.5
201.05417	0.3
203.03378	1.7
205.04985	0.8
205.07086	1.4
207.02875	1.5
211.03914	0.2
213.05519	0.2
215.03477	0.3
216.04094	0.3
217.04944	1.5
219.02835	0.2
227.03381	0.8
228.04221	0.4
229.04935	1.0
231.02968	0.3
236.10971	0.1
237.05490	0.2
239.03416	0.3
241.04918	0.3
243.02908	0.5
245.04401	1.9
247.02658	0.1
247.05681	0.2
253.04881	0.3
255.02888	0.5
256.03674	0.2
257.04498	0.9
258.05008	0.1
259.02277	0.2
259.05911	0.2
263.07059	0.3
265.04990	0.2
266.06000	0.1
267.02805	0.3
269.04520	0.5
271.02289	1.3
273.03876	2.5
274.04675	0.5
276.93274	0.1
279.06561	0.4
281.04419	0.5
283.02396	0.4
283.05914	0.3
284.03336	0.2
285.03833	1.3
286.04370	0.2
287.02066	0.2
287.05316	0.3
289.05157	0.2
291.06522	0.4
293.04401	0.4
293.07730	0.2
294.05051	0.1
295.02408	0.3
295.06033	0.4
297.03931	2.5
297.06830	0.1
298.04568	1.0
299.01840	0.4
299.05481	0.5
301.03308	1.9
302.04120	1.2
303.04828	4.4
305.04407	0.2
307.02563	0.2
307.05917	0.6
309.04004	0.4
311.05524	0.7
313.03391	1.5
315.04932	2.5
319.05844	0.9
321.03983	0.6
321.07825	0.4
322.04907	0.2
323.05490	0.4
325.03357	1.2
331.05942	0.3
333.03912	0.3
333.07693	0.2
335.05304	0.7
337.03506	0.7
337.06769	0.2
339.04846	0.6
341.03003	0.2
341.06570	1.5
343.04514	0.6
346.04767	0.2
346.78799	0.1
347.05389	1.7
347.08759	0.2
348.06143	0.2
349.03458	0.2
349.07150	0.7
351.04935	0.7
353.06516	0.5
359.05630	0.3
361.03391	0.4
363.04874	0.7
364.05676	0.3
365.06534	1.0
367.04544	0.5
369.02377	0.4
369.06802	0.2
371.05441	0.2
375.04877	0.7
377.06589	1.2
379.04279	1.1
380.05338	0.2
381.06195	0.5
385.06732	0.3
389.06799	0.2
391.04440	0.5
392.05344	1.0
393.06061	1.1
395.07843	0.3
397.07050	0.2
403.04565	0.4
405.06119	0.4
407.04089	0.4
409.05832	0.4
410.06454	0.4
411.07196	0.5
413.06323	0.3
419.03732	0.3
421.05536	2.3
423.07269	0.7
427.07568	0.2
431.07889	0.3
435.03519	0.3
437.05823	0.4
439.06631	0.6
441.06210	0.4
443.07294	0.2
445.05298	0.6
451.06537	1.0
453.04462	1.0
455.07761	0.4
459.07095	0.5
463.06287	0.2
464.88104	0.2
465.05374	0.2
467.06387	0.2
469.05591	0.8
473.09406	0.2
479.06403	0.2
483.07266	0.5
487.06653	2.0
501.08157	1.0
505.07574	0.2
511.06573	1.3
515.06317	0.4
529.07617	2.2
529.14911	0.2
539.06201	0.3
547.08618	4.6
557.06989	0.6
574.07251	0.6
575.07904	1.4
585.10303	0.8
599.10254	0.3
603.07611	100.0
604.08008	3.8
627.07837	0.4
645.08649	0.3
669.08673	0.5
693.08319	0.3
711.09961	0.4
787.71448	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	968.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	64.5
69.03435	9.3
69.07061	20.5
70.06585	4.5
70.23236	1.8
71.01340	2.6
71.04982	4.2
71.60110	1.8
72.08141	3.2
73.02897	2.0
78.06608	1.7
79.05483	50.4
81.03409	81.0
81.07047	58.2
82.03735	2.3
83.04967	11.5
83.08611	27.8
84.08131	2.4
85.02914	9.8
85.06544	4.4
86.09724	2.1
90.78170	1.8
91.03959	4.5
91.05473	49.4
93.07037	45.9
95.04967	37.2
95.08595	26.7
97.02895	8.5
97.06524	11.8
97.10159	22.1
99.04423	2.9
105.07016	42.0
107.04941	18.8
107.08585	32.9
109.02867	2.2
109.06505	8.1
109.10135	19.0
111.04435	4.1
111.08075	10.6
115.05420	3.2
116.06183	1.7
117.06995	16.5
119.04916	2.5
119.08564	26.2
121.06503	7.9
121.10115	18.2
123.04362	2.1
123.08070	7.0
123.11649	3.9
125.09623	17.9
127.03907	5.8
128.06227	2.9
129.06998	15.9
129.10321	1.9
131.04921	3.4
131.08554	25.8
133.06476	5.8
133.10123	27.0
135.08064	6.6
135.11665	9.9
137.09583	3.3
139.80644	2.0
141.06979	4.1
142.07751	3.4
143.08542	10.7
145.06532	7.4
145.10098	18.2
147.04453	2.3
147.08046	6.9
147.11668	15.2
149.09586	17.7
149.13254	5.6
151.11209	2.3
153.09166	4.5
155.08507	4.5
157.10104	15.6
159.11696	11.9
159.12903	1.8
161.09647	3.7
161.13264	2.2
163.11177	10.6
169.10066	4.3
171.11710	5.1
173.09596	3.0
173.11697	5.7
173.13277	5.2
175.11182	11.0
175.12598	1.5
177.12744	3.4
181.10023	2.3
182.67059	1.8
183.11649	3.4
185.09581	1.7
185.13257	4.3
187.11214	4.4
189.11227	7.7
189.12741	2.1
193.12216	29.3
194.12546	2.2
195.11771	2.7
197.13261	2.2
199.11272	2.8
199.13196	2.5
199.14867	2.6
211.11560	2.0
211.13203	8.8
212.13695	1.9
213.12749	1.8
223.13274	1.8
227.12704	19.5
229.14297	9.7
233.15405	2.9
235.13297	3.5
239.17902	3.7
249.14938	2.0
255.15990	6.3
257.18997	5.1
267.15881	91.1
268.16376	4.7
269.17499	20.6
273.14877	3.7
273.18576	2.8
275.20020	26.4
283.15433	3.3
285.10089	2.7
291.19489	9.0
293.21039	2.7
299.20300	2.1
301.14160	3.8
309.16989	3.0
320.96078	2.0
349.23743	29.6
349.27615	3.6
365.23196	3.9
367.24527	3.1
369.24268	5.1
373.23843	3.2
385.23599	2.6
403.24738	2.8
419.24380	2.6
421.25983	10.3
429.26569	3.7
435.27267	4.5
437.25320	5.4
443.27905	8.5
447.27454	29.9
449.30130	5.9
459.27341	9.2
460.27689	5.6
461.28897	78.6
467.31122	2.9
477.28488	7.9
478.28787	6.8
479.29453	4.6
493.31451	7.9
503.30524	3.5
519.32910	2.2
523.34186	5.6
541.35229	100.0
542.35352	5.8
559.36261	40.8
569.31152	4.6
573.37714	3.4
583.36237	3.1
587.31873	4.9
591.38892	6.7
763.74823	1.9
995.06110	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	966.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	5.7
67.50214	0.4
68.05016	1.1
69.03422	7.2
69.07056	2.4
70.06587	6.3
70.20593	1.7
71.01348	0.6
71.04988	68.4
71.08627	3.0
73.02917	3.5
79.05480	4.3
81.03401	3.3
81.07052	4.9
82.06577	0.6
83.04990	0.9
83.08609	2.6
84.04467	0.4
84.08144	3.9
84.08964	0.5
85.02902	7.3
85.10154	2.1
86.06062	5.9
86.09712	0.4
87.04483	0.6
88.03986	3.8
91.03951	3.9
91.05465	2.2
93.06516	0.5
93.07005	2.2
94.06543	0.7
95.04964	0.8
95.08592	3.4
96.08120	8.8
97.02881	7.4
97.06530	0.5
97.10157	3.5
98.06061	3.1
98.07325	0.4
99.04443	0.5
101.02383	1.2
105.07030	0.8
106.06551	0.9
107.04931	0.6
107.08579	3.1
109.02893	0.9
109.06544	0.4
109.10151	2.9
111.08087	1.5
111.63904	0.4
112.07599	4.3
114.05514	0.7
114.09166	0.4
115.03957	0.5
117.07019	0.5
119.08590	0.8
120.08086	0.6
121.10185	0.5
123.08067	0.6
123.11727	0.7
124.07600	4.6
125.09637	3.9
127.03882	2.0
135.08028	2.2
140.07031	0.7
141.07857	1.2
142.08617	6.8
145.04982	0.5
149.09584	0.4
153.09148	1.4
158.08112	8.8
163.11229	1.0
170.08109	4.0
171.10107	0.5
188.54199	0.4
189.11214	1.9
202.10822	0.5
227.12740	3.5
229.14406	0.7
248.16484	0.8
258.14938	0.4
289.80579	0.5
313.27310	7.0
483.37073	0.5
580.41730	0.5
624.44794	0.9
642.45660	3.3
804.50702	2.9
924.50781	0.6
966.56219	100.0
967.56415	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	965.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.9
69.07064	15.6
69.45482	0.9
69.45914	1.0
70.06581	0.4
71.04986	0.3
71.08629	4.5
72.08157	0.3
73.02928	0.3
75.04451	0.3
79.05494	1.6
81.03425	0.3
81.07052	3.4
83.04989	0.4
83.08611	15.5
85.10181	2.0
85.90798	0.2
91.05450	0.6
93.07034	2.6
95.04979	0.3
95.08599	2.9
97.06521	1.9
97.10162	12.0
98.21535	0.4
98.98460	5.9
99.08096	0.3
105.07019	0.3
107.08574	1.8
109.10146	1.2
111.08057	0.8
111.11717	3.6
114.07421	0.2
116.23035	0.2
116.99490	0.3
119.08525	0.3
121.10139	2.4
123.11670	0.5
125.09624	0.6
125.13257	0.4
135.11691	1.9
137.13237	0.4
139.11208	0.3
149.13260	1.0
153.12721	0.3
155.01033	3.3
163.14809	0.3
168.69588	0.2
173.02113	0.8
177.16353	0.3
211.03705	0.2
219.21098	0.6
229.04744	0.3
237.22160	0.6
237.40739	0.2
247.05746	0.6
267.21173	0.2
275.20102	0.2
311.25775	100.0
312.26144	1.5
313.83722	0.2
391.22061	0.4
447.25049	4.3
524.31445	0.2
924.00104	0.2
965.51190	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	959.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	2.4
69.03439	3.1
71.01346	0.9
71.49223	1.3
73.02903	3.1
75.58388	0.6
79.05494	2.3
81.03426	1.5
81.07056	2.5
85.02897	6.2
91.01219	0.7
91.03954	3.2
91.05476	1.0
93.07048	2.4
95.08591	2.0
97.02875	6.2
99.00819	0.6
101.02354	1.9
105.07030	1.1
107.08585	1.1
109.02901	1.0
109.10149	1.1
119.08555	0.9
121.10163	1.3
127.03922	1.5
138.56702	0.8
163.84444	0.8
185.04224	1.0
243.08496	1.8
259.62225	0.7
347.09613	1.9
405.13657	7.3
519.29297	6.7
548.23352	0.8
681.34467	9.7
959.56842	100.0
960.56812	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	954.614
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	64.3
67.51958	1.8
69.03419	2.4
69.07067	17.0
71.44117	3.6
73.02914	5.3
77.51019	2.2
79.05487	42.0
81.03394	2.2
81.06572	4.2
81.07050	79.1
82.16714	1.8
83.04968	2.2
83.08615	7.4
85.02900	18.2
91.03950	12.0
91.05472	26.5
93.07033	53.1
94.07304	1.8
95.04964	5.5
95.08596	57.3
97.02888	9.3
97.06535	2.7
97.10162	4.2
105.07009	25.9
107.08574	28.2
109.06534	3.0
109.10152	24.6
111.08067	2.2
117.06985	9.1
119.08569	20.4
121.10130	22.8
123.11696	7.0
127.03912	5.4
131.08539	15.4
133.10121	15.2
135.11673	15.6
143.08557	3.8
145.04953	6.9
145.10098	14.8
147.11664	11.5
149.13272	8.5
157.10057	2.1
159.10518	2.1
159.11723	7.7
161.13289	9.0
163.06044	7.1
163.14822	6.1
173.13254	7.4
175.14827	3.1
185.13287	2.2
191.14778	2.1
196.68747	2.2
199.14859	2.8
201.16376	3.4
237.03094	1.7
241.19583	2.4
243.21146	6.2
259.20544	12.3
261.22134	21.2
263.23865	1.8
311.47998	1.8
315.23282	2.4
317.24799	2.3
321.05826	1.9
327.29547	1.8
333.24100	9.9
335.25775	100.0
337.27408	11.8
466.10489	2.0
521.43671	4.5
595.47205	19.0
613.48206	24.2
684.55261	2.1
954.57721	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	953.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01851	0.5
68.99783	0.7
69.03423	2.7
70.01740	0.7
70.06589	1.4
71.04984	0.4
72.08147	0.3
73.02905	1.1
77.95824	0.1
80.23033	0.1
81.03410	2.4
84.04487	0.3
84.08136	0.5
85.02898	4.9
86.09679	0.4
91.03949	0.4
91.05482	0.5
95.04964	0.3
97.02882	2.3
99.04462	0.8
103.03935	0.2
103.05463	0.1
105.03353	0.2
107.04948	0.5
109.02858	1.2
111.00796	0.6
111.04430	1.1
115.03940	0.3
115.36758	0.1
119.04931	1.2
121.02859	16.4
121.03874	0.5
122.03188	0.2
123.04421	0.5
127.03902	2.8
131.04973	0.3
133.02838	0.2
133.04968	0.4
135.04355	0.1
137.02345	0.5
139.03886	0.2
143.38690	0.1
145.04927	1.3
147.04399	6.5
149.02415	0.2
153.01817	11.0
154.02046	0.1
161.06009	0.3
165.01804	0.4
171.02905	0.6
171.04317	0.3
175.03929	0.5
177.05353	0.2
183.02966	0.2
187.04071	0.3
187.06041	2.0
189.05481	1.3
191.03401	0.8
199.03896	0.3
200.04616	0.1
203.03365	1.9
205.07047	1.3
213.01910	0.1
213.05440	0.3
215.03392	0.6
217.04997	0.9
227.03409	0.4
229.04987	0.5
231.06483	0.2
239.03517	0.3
241.05016	0.5
243.02731	0.6
244.03508	0.2
245.04422	1.1
247.07649	0.2
255.02876	0.7
256.03525	0.1
257.04297	0.7
258.05350	0.3
259.05881	0.2
261.05786	0.2
263.06943	0.5
267.02927	0.2
269.04453	0.5
271.02374	1.5
273.03873	1.7
275.06995	0.3
277.08554	0.2
279.06662	0.3
281.04419	0.3
283.02634	0.3
283.06094	0.4
285.03888	1.4
286.04742	0.5
287.05359	2.5
291.06592	0.4
295.02399	0.2
297.03931	4.6
298.04547	0.8
299.02063	0.2
299.05527	0.4
301.03448	0.7
302.03983	0.1
303.06311	0.5
305.08041	0.4
307.06027	0.2
309.03967	0.3
309.07413	0.1
311.05411	1.0
313.03387	1.8
315.04886	2.1
317.04205	0.2
319.06046	0.8
321.04025	0.5
321.07697	0.5
322.04797	0.2
323.05515	0.5
325.03427	1.2
331.05975	1.1
332.06506	0.1
333.07483	0.6
335.05508	0.4
337.03406	0.5
337.07266	0.5
339.05157	1.0
341.06653	0.8
343.04907	0.6
345.03806	0.2
345.07675	0.2
347.05417	0.9
348.06381	0.2
349.03336	0.2
349.07077	1.6
350.07877	0.5
351.05045	0.5
351.08847	0.3
359.05304	0.7
360.06329	0.2
361.03302	0.2
361.07104	1.0
361.11588	0.2
363.04926	0.5
364.05731	0.2
365.06708	0.6
366.03152	0.2
366.07388	0.3
367.04340	0.9
369.02481	0.1
369.07343	0.2
373.07089	0.4
375.05142	0.4
376.05713	2.3
377.02023	0.2
377.06451	2.2
378.07462	0.3
379.03952	0.3
379.08578	0.6
387.04736	0.3
389.06561	0.5
391.04559	0.5
393.06345	0.7
394.06851	1.0
395.03384	0.3
397.07095	0.5
401.06799	0.3
403.08273	0.4
405.06039	5.1
406.06830	0.3
407.07614	1.3
409.05667	0.3
411.08121	0.2
415.03711	0.3
415.08810	1.1
419.03815	0.4
421.05792	0.4
425.06006	0.4
427.08176	0.3
429.06094	0.6
435.02756	0.1
435.07367	2.1
437.05365	0.3
439.07990	0.3
443.07730	1.5
445.09409	0.5
453.04684	1.2
465.04568	0.3
467.07581	0.5
471.07056	3.4
485.08557	1.1
489.07968	0.3
495.07037	0.9
496.07513	0.2
499.06442	0.8
503.10110	0.2
513.08234	2.6
523.07043	0.4
531.09186	5.6
532.09656	0.3
541.07916	0.7
558.08008	0.5
559.08765	1.0
569.07227	0.5
587.08160	100.0
588.08508	2.7
603.07782	0.3
611.08380	0.4
611.97009	0.2
629.09039	0.2
633.13605	0.2
653.09558	0.3
677.09546	0.2
695.10284	0.3
753.85339	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	941.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	4.4
69.03416	2.9
69.07059	1.1
69.39925	1.5
69.40359	1.3
71.01331	0.3
71.04974	0.7
72.26044	0.3
73.02908	3.4
79.05489	2.9
81.03414	2.5
81.07049	3.6
83.04974	0.4
83.08615	0.9
85.02894	5.3
87.04458	0.4
91.03951	3.2
91.05470	2.2
93.07017	2.0
95.04962	0.8
95.08594	2.7
97.02887	5.2
97.06509	0.3
97.10223	0.3
99.04440	1.0
101.02378	1.6
101.43741	0.4
105.07032	1.7
107.08604	1.4
109.02859	0.6
109.10195	1.7
109.10836	0.3
119.08599	0.9
121.10126	1.7
123.11749	0.4
127.03930	1.3
129.05545	0.3
130.06403	0.3
131.08574	0.6
133.10199	0.7
137.03253	0.3
137.09659	0.3
145.04922	0.4
145.10081	0.5
147.11682	0.6
149.09647	0.6
157.10150	0.3
164.30029	0.3
185.04222	0.6
193.12233	0.5
203.05432	0.6
217.32790	0.3
229.14465	0.6
243.08386	1.8
267.16031	0.4
283.15149	2.4
335.25970	0.6
337.27661	0.6
338.27658	0.5
339.17880	0.5
347.09457	1.7
349.53705	0.3
365.10641	1.0
401.08112	0.3
405.13626	4.8
501.22986	4.6
519.29364	5.7
663.28497	3.0
681.34479	7.0
746.86493	0.4
777.54224	0.4
779.46112	1.7
941.50684	100.0
942.50098	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	936.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	10.3
69.07069	3.8
70.13037	1.4
70.13446	1.0
71.04980	0.5
71.08626	9.4
79.05488	5.4
81.03416	8.5
81.07049	10.9
83.04960	0.7
83.08135	0.5
83.08611	6.2
85.02882	1.0
85.10172	4.9
89.06056	0.5
91.03942	0.6
91.05483	4.0
93.07041	5.8
95.04976	3.2
95.08044	0.9
95.08603	11.3
97.02888	0.7
97.06496	0.5
97.10167	2.6
98.15589	0.4
98.98476	3.5
99.08000	0.5
105.07020	2.9
107.04936	0.9
107.08582	3.5
109.10153	5.8
111.08048	1.2
111.11687	0.8
117.07006	1.0
119.08573	2.3
121.10126	3.7
123.11664	1.9
124.01595	0.8
125.09636	0.6
127.03885	0.5
129.06964	1.0
131.08575	2.6
133.10120	2.3
135.11641	1.8
137.13182	0.5
142.02621	0.9
145.10097	0.8
147.07980	0.6
147.11674	2.2
149.09598	0.8
149.13229	1.0
155.01045	4.3
157.10150	1.4
159.11642	1.1
161.13223	0.7
163.06071	0.6
163.11217	0.6
173.02118	0.5
173.13274	0.8
175.11183	1.1
189.11159	0.6
193.12241	3.1
198.05310	1.3
213.29710	0.5
216.06293	2.3
227.12859	0.9
230.08620	0.5
239.23779	0.8
243.21056	0.8
257.24789	0.9
261.22165	2.9
267.15900	11.9
273.15128	0.7
282.27881	9.7
301.25424	0.7
309.17154	0.7
313.27341	100.0
314.27667	1.0
317.24594	0.6
335.25806	12.6
342.94525	0.5
345.05115	0.4
388.61313	0.5
393.23987	8.6
436.28217	26.2
436.93408	0.6
453.33401	1.2
454.29257	27.5
527.37250	9.7
545.38312	9.5
559.39319	0.7
569.38000	2.0
615.17889	0.5
790.93854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
66.84631	7.2
67.05501	84.6
69.02132	6.5
69.03404	21.5
69.07054	48.9
69.26686	82.8
70.06564	14.1
71.04993	18.5
72.08089	8.4
73.02911	8.7
79.05486	59.5
79.45794	6.7
81.03418	100.0
81.07055	93.9
83.04978	33.4
83.08601	33.9
85.02908	52.5
91.03931	7.7
91.05473	94.4
93.07039	68.0
95.04948	48.4
95.08591	37.4
97.02883	19.9
97.06510	22.8
97.10153	30.3
105.07038	76.5
107.04934	20.1
107.08583	55.1
109.02876	7.8
109.06483	13.7
109.10139	26.8
111.08091	16.3
117.07020	12.7
119.08563	60.5
121.06544	8.2
121.10138	25.7
123.08025	12.7
125.09607	9.6
127.03918	16.0
129.06975	24.8
131.08542	31.9
133.10094	37.7
135.11682	9.3
138.14560	7.0
142.07722	8.5
145.10107	25.4
147.11678	37.2
149.09572	25.0
149.13213	7.2
157.10120	24.4
159.11664	12.9
163.11163	14.3
173.13152	14.8
175.11179	21.9
189.11189	12.4
193.12254	64.0
211.13237	86.1
227.12654	32.9
229.14241	10.1
251.24245	6.7
254.30052	7.2
255.15915	8.1
257.18982	21.2
267.15906	67.9
269.17352	15.3
275.20029	54.9
285.16956	83.4
310.96576	7.7
331.22668	7.7
349.23764	63.7
439.26773	7.9
442.15979	8.0
443.79742	8.7
446.12497	7.8
461.28693	25.7
479.30087	62.4
541.35394	47.2
559.36279	89.8
577.37195	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	934.499
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.5
67.05504	50.6
69.03426	15.7
69.07064	36.2
70.06576	4.9
71.04978	5.3
79.05484	53.3
79.05943	3.5
81.03415	65.9
81.07046	64.9
83.01309	5.3
83.04981	18.1
83.08617	32.1
85.02895	34.0
86.09703	5.0
91.03973	5.5
91.05477	57.5
93.07034	51.1
95.04958	38.0
95.08590	24.9
97.02866	18.6
97.06525	12.2
97.10148	23.6
99.08038	2.7
105.07015	44.2
107.04941	21.5
107.08589	40.8
109.02795	3.4
109.06519	12.7
109.10151	15.5
111.04453	4.2
111.08061	8.7
115.05496	3.7
117.07023	15.6
119.04935	3.1
119.08585	37.4
121.06502	10.2
121.10117	17.9
123.04363	3.3
123.08042	12.3
123.11672	4.9
125.09618	18.6
127.03917	6.8
129.07021	14.8
130.07790	3.1
131.08563	21.0
133.06491	5.9
133.10110	26.5
135.08031	6.0
135.11674	10.0
137.05963	3.6
137.09650	5.8
142.07759	5.3
143.08556	6.2
145.04941	3.9
145.06410	3.4
145.10091	27.1
147.08015	8.8
147.11650	18.0
149.09674	13.4
149.13292	4.2
151.11154	4.7
153.09070	3.2
157.10124	11.3
159.11690	11.6
162.10352	2.8
163.11166	25.0
165.12721	3.8
171.10223	2.9
171.11661	4.4
173.13199	3.1
175.11159	13.5
189.11200	6.2
191.10785	4.7
193.12193	29.6
205.12402	4.3
209.11661	5.4
211.13263	45.4
212.13586	3.4
219.13806	3.8
223.13309	11.3
227.12724	34.8
253.14342	10.4
257.19095	5.9
260.57706	2.9
267.15912	33.8
268.16220	4.3
269.17105	3.4
273.18466	13.0
275.20016	23.9
283.15393	46.7
285.16989	37.3
291.19507	70.2
313.21945	3.6
331.22610	3.6
347.22067	4.1
349.23703	26.3
365.23132	39.0
437.25577	5.6
453.24805	8.1
459.27234	6.2
461.28647	5.6
463.26666	6.6
477.28445	26.1
478.29099	3.7
495.29639	3.9
503.92322	3.4
539.33325	6.3
557.34717	100.0
575.35791	68.3
909.55902	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	933.556
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03379	0.6
67.05168	1.0
67.05503	15.6
69.03432	9.3
69.07068	7.5
71.04980	1.7
71.08639	3.4
73.02916	7.6
73.83547	0.7
77.40173	0.6
79.05494	10.7
81.03414	5.0
81.07057	15.8
83.04983	1.7
83.08604	5.4
85.02417	1.4
85.02902	20.0
85.06518	1.1
85.10166	1.5
86.06055	2.7
91.03950	11.8
91.05474	8.8
93.07044	10.4
95.04951	2.1
95.08604	12.9
97.02270	1.3
97.02888	18.0
97.06520	1.4
97.10165	2.2
98.98434	1.2
99.04452	1.3
101.02386	2.8
105.07022	8.1
107.04930	0.9
107.08587	6.6
109.02866	1.8
109.10145	6.4
111.08086	0.7
115.03944	1.7
115.05420	1.0
117.06996	4.6
117.50105	0.8
119.08562	7.7
121.10165	4.5
123.08019	1.3
123.11730	2.1
127.03896	3.8
128.06209	1.4
129.06996	6.6
131.08568	7.9
133.10156	4.9
135.11708	2.4
141.06990	3.7
142.07780	1.5
143.08540	7.5
145.04936	3.3
145.06491	0.8
145.10097	6.3
147.11664	2.9
149.13268	1.4
152.05629	0.7
153.06973	1.0
155.08556	5.4
156.09277	0.8
157.10117	8.2
159.11659	5.6
161.13310	2.0
163.06013	1.3
167.08583	3.3
168.09294	1.1
169.10114	7.9
171.11688	6.8
173.13214	3.9
179.08562	2.8
180.09229	0.8
181.10110	4.4
182.10947	1.5
183.11674	8.2
184.12167	0.7
185.13257	5.1
187.14754	1.2
193.10153	1.8
195.11639	5.5
197.13245	6.0
199.14809	2.7
201.16350	1.4
207.11743	1.3
209.13213	3.5
211.14867	3.5
213.16402	1.3
217.19489	0.7
219.11783	0.8
221.13243	1.9
223.14813	3.2
225.16393	2.5
227.18001	2.1
227.32132	0.8
233.13271	1.2
235.14920	2.2
237.16374	2.4
239.17986	2.1
247.14897	1.1
249.16495	1.3
251.17976	1.7
253.19594	0.7
265.19534	1.6
281.19052	0.7
311.23849	1.1
313.27347	21.1
314.27869	0.8
369.27972	0.8
447.32388	1.0
473.32751	0.8
517.40259	3.9
535.41187	2.8
539.36853	1.6
570.52716	0.8
584.71661	0.8
591.43646	5.8
607.43353	2.2
609.45105	100.0
610.45752	3.4
621.45190	3.0
651.45789	2.1
675.46082	1.3
705.55072	0.9
717.46808	2.0
735.48169	2.1
753.49219	2.4
771.50305	26.7
772.50177	1.0
933.55505	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	923.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.5
69.03419	2.4
69.07076	0.6
70.06605	0.8
71.01363	0.5
71.05009	1.0
72.08163	0.4
73.02917	3.0
76.32076	0.2
79.05486	2.5
81.03418	4.6
81.07053	2.1
81.58939	0.2
83.05006	0.8
83.08639	0.9
84.08156	0.3
85.02901	4.2
85.06552	0.3
86.09708	0.6
87.04450	0.5
91.03948	2.6
91.05470	2.3
91.23257	0.2
93.07053	2.1
95.04957	1.5
95.08633	1.0
97.02887	4.7
97.06554	0.8
97.10194	0.3
98.03260	0.3
99.04453	0.6
101.02368	1.5
103.03954	0.3
105.07003	1.5
107.04974	0.5
107.08580	1.1
109.02917	0.8
109.06526	0.4
109.10180	0.2
111.04482	0.3
111.08105	0.4
115.03971	0.3
119.08572	1.4
121.06524	0.4
121.10115	1.6
123.08139	0.3
127.03922	1.3
129.05565	0.3
129.07040	0.7
131.08583	1.5
133.10092	1.2
135.26021	0.2
137.06000	0.4
142.07835	0.2
145.10109	0.3
147.11670	1.2
149.09604	1.7
153.01865	0.4
157.10052	1.1
163.11153	0.2
175.11276	1.0
185.04231	0.4
193.12242	1.6
203.05406	0.3
211.13451	0.4
225.14925	0.6
243.08380	1.7
265.05295	0.4
267.15955	1.4
269.12476	0.3
283.06250	1.8
283.15189	3.6
306.08322	0.3
339.17789	1.5
347.09409	2.4
365.10751	0.9
383.60388	0.3
405.13608	4.8
405.18506	0.3
441.21304	0.3
469.20633	0.6
477.15784	0.8
488.97992	0.2
501.23029	15.5
519.95807	0.2
544.72284	0.2
599.33801	0.4
631.25909	0.3
663.28265	14.6
761.39478	2.1
923.44482	100.0
924.44495	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	919.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.3
69.03423	2.9
69.07054	0.4
69.77587	1.0
69.78002	0.5
71.01353	0.4
71.04999	0.6
71.08624	0.9
73.02911	2.9
75.04475	0.2
79.05477	1.3
81.03413	2.8
81.07048	1.6
83.04973	0.4
83.08616	0.9
85.02901	4.7
85.03413	0.3
85.10172	0.6
87.04475	0.5
87.36489	0.2
87.81417	0.2
91.03971	2.0
91.05493	0.9
93.07041	0.9
95.04970	0.8
95.08604	1.3
97.02877	4.1
97.10162	0.4
99.04460	0.6
101.02383	1.6
103.03955	0.4
105.02893	0.2
105.07047	1.0
107.04937	0.3
107.08610	0.5
109.02893	1.0
109.10133	0.7
111.08057	0.3
112.09819	0.2
119.08573	0.5
121.10160	0.7
123.08043	0.2
123.11721	0.3
127.03912	1.3
129.07045	0.5
131.08589	0.5
133.10159	0.5
145.04997	0.5
147.11707	0.7
149.09593	1.2
157.10208	0.4
175.11247	0.5
185.04294	0.8
193.12233	1.1
196.32622	0.2
203.05319	0.3
225.14919	0.5
243.08382	1.7
251.11528	0.3
267.15881	0.6
269.12466	0.6
283.15131	2.1
313.27502	1.0
339.17807	0.7
347.09479	2.9
363.09131	0.6
365.10651	0.8
405.13657	5.7
421.13406	0.3
441.21460	0.3
469.20419	0.6
497.30753	4.9
501.23038	9.2
595.41241	0.3
622.76617	0.3
659.36176	4.5
663.28247	8.5
757.47003	2.4
919.52295	100.0
920.52948	4.6
929.68372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03900	0.8
67.05498	14.2
69.03413	2.5
69.07061	3.3
69.53468	3.7
71.04983	2.6
73.02872	0.5
79.05487	16.6
81.03410	44.7
81.07047	13.7
83.04967	5.1
83.08153	0.8
83.08612	12.6
85.02897	2.8
85.06520	1.1
87.04403	0.5
91.03902	0.5
91.05473	13.1
93.07030	11.6
95.04367	1.0
95.04958	18.6
95.08600	6.2
97.02853	1.8
97.06528	3.0
97.10164	12.4
98.20763	0.9
99.08066	0.6
100.47689	0.4
103.05460	0.8
105.07018	10.3
107.04288	0.9
107.04945	11.5
107.08584	9.5
109.02851	0.7
109.05800	0.5
109.06506	8.1
109.10143	3.9
111.04406	0.8
111.08060	3.8
115.05408	0.9
117.06339	0.4
117.07023	5.0
119.04882	1.3
119.08575	9.9
121.05640	0.7
121.06483	9.1
121.09310	0.5
121.10125	6.6
123.04398	2.0
123.08042	3.4
123.11669	0.8
125.05978	0.8
125.08765	0.7
125.09625	11.8
127.03863	1.0
128.06233	0.8
129.06998	7.3
129.10010	0.5
131.04881	1.9
131.08549	8.7
133.06461	3.9
133.10109	4.7
135.04417	0.6
135.08076	4.2
135.11642	1.8
137.05971	1.0
137.09570	1.3
137.10612	0.4
139.11102	0.5
141.06931	1.4
142.07722	1.5
143.08513	2.3
143.10599	0.6
145.04893	0.6
145.05280	0.6
145.06480	6.9
145.10115	4.1
147.04358	2.1
147.08015	4.2
147.11655	5.4
149.09608	4.6
151.07484	0.7
151.11111	0.4
153.06989	0.5
153.09126	3.0
153.12727	1.1
155.08496	1.7
157.06477	1.1
157.10101	6.7
159.07997	1.8
159.11664	1.8
161.05937	1.0
161.09576	1.6
163.05988	0.9
163.07445	0.5
163.11197	3.4
165.12665	0.8
167.08531	1.2
167.10625	0.9
169.06395	0.5
169.10094	1.3
171.08000	2.3
171.10236	0.7
171.11653	1.8
173.09552	1.4
173.13214	1.3
175.07660	0.5
175.11174	6.0
177.12689	1.1
181.10126	1.0
183.11728	1.0
185.09581	1.3
185.13181	0.7
187.11183	1.6
187.14827	1.3
189.11188	5.3
189.12741	1.3
191.10536	0.6
191.14275	0.8
193.10387	1.0
193.12215	13.7
195.08028	0.7
195.11639	1.5
197.13220	1.2
199.11180	1.7
199.13069	0.7
201.12721	0.9
205.12184	1.5
207.13655	0.6
209.13261	0.7
211.11325	0.6
211.13290	1.5
213.12753	1.4
215.14301	2.4
217.12157	1.3
219.13872	2.5
223.11234	1.0
223.13261	1.3
225.12830	0.7
227.12718	1.7
231.13736	1.2
233.15326	3.3
235.11143	0.6
235.13284	1.4
237.12738	1.1
241.14297	0.5
245.15326	0.9
249.14777	1.5
255.13824	2.0
259.13229	2.1
267.15891	46.5
268.16281	1.0
269.15656	0.5
271.17014	0.9
273.14694	6.6
275.16434	1.0
287.16315	0.8
293.17459	0.9
297.11374	0.5
299.15994	0.6
309.16861	1.4
321.22351	0.8
331.20428	0.7
339.23083	2.4
349.21579	4.0
357.24118	2.3
367.22644	11.3
385.23672	20.0
403.24756	7.7
405.23972	0.5
441.26260	9.3
459.27368	100.0
460.27710	4.0
477.28430	90.1
478.28491	4.0
491.30014	11.4
501.28333	5.6
509.31046	4.8
513.28406	1.8
519.29712	0.8
531.29382	1.7
541.33539	0.8
543.29395	1.9
555.29889	1.1
567.29474	5.2
585.30591	2.0
603.31720	1.7
862.65424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.0
66.93550	0.7
67.05501	48.1
69.03407	2.5
69.07067	11.2
71.01334	2.1
71.04977	2.4
71.05889	1.2
71.08631	22.3
73.02896	3.2
75.04488	0.8
79.05051	1.0
79.05486	14.6
81.03415	4.9
81.07050	26.4
83.04983	3.9
83.08613	18.4
85.02419	1.3
85.02901	19.9
85.06523	2.4
85.10174	14.7
87.04471	4.8
89.06037	1.7
91.03954	5.7
91.05477	7.1
93.07040	7.0
95.04958	2.7
95.08602	23.5
97.02894	7.9
97.06528	2.4
97.10162	21.2
103.03928	1.8
103.07552	2.2
105.07018	2.6
107.04941	2.0
107.08578	8.7
109.02886	0.9
109.06456	1.1
109.10148	48.9
111.04447	1.8
111.08062	2.1
111.11736	1.0
115.36549	0.8
117.07008	1.9
118.64518	0.7
119.08571	4.4
121.10129	3.0
123.11712	4.0
125.09614	15.2
127.03889	3.5
129.06973	0.9
131.08559	2.0
133.10143	1.3
135.07959	0.6
135.11670	2.5
137.09634	2.1
137.13269	1.1
143.10692	3.1
145.04939	2.6
145.10112	2.5
153.12747	1.4
155.10640	2.3
160.11191	1.0
161.36484	0.7
163.06006	1.9
163.11174	3.0
172.38795	0.9
173.09599	1.5
173.11714	12.6
189.89653	0.6
191.10622	1.2
193.12183	0.9
195.76422	0.7
199.13287	10.6
209.11716	4.1
216.85217	0.7
227.12796	5.4
229.14337	55.4
239.23674	3.6
245.13860	1.0
257.13919	2.0
257.24741	1.7
265.14233	1.1
267.15933	2.7
283.15317	4.3
297.16989	1.0
301.12939	0.9
301.16443	30.8
313.27344	100.0
314.27698	2.6
319.17871	0.7
335.25720	1.1
341.26913	1.1
397.29810	0.7
437.36160	5.4
455.37241	11.7
463.22223	0.9
467.37323	33.1
505.38693	1.7
521.38269	3.0
539.39343	15.5
557.39532	2.6
628.77924	0.7
701.44604	1.8
719.20337	0.8
854.36914	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	916.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.9
67.05499	45.7
67.54839	0.5
69.03420	3.3
69.06712	1.0
69.07059	10.4
69.40934	2.3
69.41363	2.9
70.58327	0.6
71.01360	0.8
71.04980	2.9
71.08626	20.7
73.02905	3.0
75.04480	0.8
78.51194	0.5
79.05489	11.4
81.03411	5.0
81.07051	24.4
83.04981	3.0
83.08610	15.6
85.02899	19.7
85.03416	0.8
85.06535	2.6
85.09703	0.9
85.10174	11.8
87.04465	3.9
89.06013	2.0
91.03956	5.2
91.05463	5.9
91.64277	0.6
93.07040	5.5
95.04956	1.6
95.08598	23.1
96.04449	0.6
97.02881	7.2
97.06506	1.6
97.10166	21.1
98.21529	1.1
99.04408	1.1
103.03900	1.2
103.07590	0.7
105.07024	2.0
107.04955	1.9
107.08586	7.2
109.02869	0.6
109.06533	0.6
109.10145	39.8
110.10460	0.9
111.04426	1.2
111.08062	2.2
111.11761	0.7
115.03880	0.9
117.07002	1.0
119.08578	3.6
121.10129	2.0
121.17735	0.5
123.08123	0.6
123.11687	2.7
125.09620	12.9
127.03879	2.2
129.05464	0.8
131.08524	1.1
132.40610	0.6
133.10129	1.0
135.08087	0.7
135.11694	2.2
137.09552	1.2
137.13245	1.2
139.11263	0.6
143.10643	3.4
145.04939	2.9
145.10114	2.1
147.08015	0.6
153.12720	1.4
155.10625	2.0
156.74815	0.5
159.06633	0.6
160.11250	1.3
163.05989	2.7
163.11194	2.4
163.14577	0.5
171.77487	0.6
173.09486	0.7
173.11716	11.9
191.10666	1.5
193.12144	1.0
197.78949	0.5
199.11540	0.4
199.13290	10.4
209.11708	3.1
217.14383	0.7
227.12779	5.6
229.14336	55.7
230.14708	0.7
239.23674	4.3
240.45123	0.6
257.13782	1.2
257.24744	2.0
258.08832	1.1
265.14590	0.6
267.15863	2.3
283.15451	3.1
299.14819	0.7
300.15182	0.6
301.16434	24.4
302.16748	0.8
313.27338	100.0
314.27579	3.1
316.07611	0.6
341.26675	2.2
437.36111	6.7
455.37320	13.8
463.21832	0.9
467.37289	31.1
468.37628	1.0
505.39120	1.3
507.27448	0.6
511.19727	0.7
521.38385	2.0
539.31586	1.1
539.39374	15.4
545.89514	0.5
557.40137	2.7
701.44836	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	916.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	1.4
67.05501	44.9
69.03423	3.1
69.07066	11.5
69.27074	10.4
71.01353	1.6
71.04993	1.9
71.08277	1.5
71.08628	20.4
73.02916	1.7
79.05491	13.9
81.03416	3.5
81.07053	24.6
83.04983	3.4
83.08617	16.5
85.02905	19.1
85.06526	1.7
85.10173	14.1
87.04472	5.8
89.06038	1.6
91.03922	4.7
91.05461	5.6
92.37015	0.9
93.07036	6.2
95.04948	1.2
95.08599	24.2
97.02907	6.0
97.06541	1.9
97.10163	21.1
99.04446	1.3
103.03940	1.9
105.07011	2.3
107.04942	3.0
107.08595	8.8
109.06503	1.0
109.10155	37.3
109.10917	1.8
111.04362	1.0
111.08066	2.4
111.11695	1.0
115.03932	1.1
119.08592	3.9
121.10133	3.1
123.11704	3.6
124.21094	0.8
125.05991	1.2
125.09620	20.1
127.03884	1.8
130.09013	1.2
131.08588	1.0
135.06007	0.9
135.11674	3.0
137.09578	2.0
137.13300	1.5
143.10669	4.2
145.10086	2.1
153.12692	1.7
155.10629	1.7
163.11194	2.7
173.11751	10.5
181.12291	1.1
191.10713	1.6
199.13261	10.5
209.11745	3.1
217.14267	1.4
227.12779	14.9
229.14337	44.0
239.23709	4.5
257.13937	1.5
257.24680	1.7
265.14346	1.2
267.16000	1.8
283.15344	3.6
301.16440	34.4
313.27338	100.0
314.27664	1.8
319.17621	2.4
341.26709	2.7
382.28326	1.0
437.36368	6.1
455.37363	18.4
467.37277	27.2
539.39532	18.6
547.72791	1.2
557.40247	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	914.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	12.4
69.03419	1.9
69.07057	5.8
70.20696	2.0
71.04977	1.6
71.08622	20.1
73.02908	1.1
79.05483	7.6
81.03407	61.0
81.07046	16.4
83.04974	2.9
83.08607	18.1
85.02889	5.0
85.06533	1.1
85.09651	0.5
85.10172	12.2
89.06010	1.3
91.03938	3.1
91.05470	10.8
93.07033	4.9
95.04956	16.8
95.08598	14.9
97.02869	3.9
97.06508	1.3
97.10160	5.2
99.04471	0.5
99.08094	0.6
99.11719	1.0
103.07566	1.0
105.07028	8.8
107.04938	4.2
107.08595	2.3
109.02881	0.8
109.06492	1.9
109.10142	7.2
111.04401	1.6
111.08066	5.5
111.11699	0.6
115.05406	1.0
117.07000	1.2
119.04897	0.6
119.08570	9.1
121.06472	2.1
121.10114	3.5
123.04414	1.8
123.08054	1.2
123.11696	3.5
125.09593	0.7
125.13197	0.4
127.03926	0.9
129.06117	0.7
129.06987	5.8
131.04881	0.7
131.08559	5.8
133.06474	2.0
133.10143	2.8
135.11681	0.7
137.05945	0.5
137.09587	1.3
137.13300	1.2
142.07755	1.4
145.04919	1.7
145.10115	1.5
147.04414	0.8
147.08026	2.5
147.11661	5.2
149.09592	3.4
157.10103	7.0
158.74283	0.4
161.05997	0.4
163.06023	2.4
163.11127	0.8
165.12730	1.7
173.09557	0.6
173.55746	0.5
175.11159	7.8
189.12766	0.4
193.12215	24.6
194.12587	0.5
205.12167	0.5
207.13823	0.5
211.13292	1.5
231.13756	0.5
235.13301	2.0
239.23647	2.2
249.14909	1.9
257.24695	1.6
259.13324	1.7
267.15881	100.0
268.16190	1.1
273.14819	1.0
289.14371	0.4
299.18811	0.4
301.14249	2.1
309.17026	2.3
313.27325	93.4
314.27695	1.5
327.84497	0.4
332.28268	0.4
333.16821	0.6
375.17975	0.6
411.20383	0.5
422.96756	0.4
505.38837	81.1
506.38977	2.4
523.39557	1.2
547.39850	6.2
589.41040	0.7
601.40833	2.3
613.40796	1.6
631.42023	2.2
649.42780	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	914.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79740	0.4
65.03925	0.7
67.05499	11.6
67.53216	0.4
69.03427	1.1
69.07063	6.8
70.31009	0.9
70.31413	1.5
71.04990	1.5
71.08626	20.0
73.02910	1.8
78.52397	0.4
79.05486	7.7
81.03411	57.3
81.06569	0.8
81.07047	16.6
83.04979	3.9
83.08610	19.0
85.02893	4.7
85.06490	0.5
85.10175	12.7
89.06011	1.3
91.03948	3.9
91.05470	10.1
93.07028	5.9
95.04962	16.2
95.08597	17.2
97.02887	4.3
97.06529	1.3
97.10167	5.8
98.21433	0.6
99.08106	0.7
99.11712	0.7
99.81625	0.4
103.07551	1.1
105.07022	8.2
107.04948	4.1
107.08590	2.8
109.06519	2.0
109.10155	8.4
111.04423	1.2
111.08073	4.4
111.11661	0.8
115.05427	0.7
117.07014	1.0
117.09085	0.5
119.04931	0.5
119.08576	7.7
121.06516	1.8
121.10135	4.3
123.04441	2.2
123.08079	1.4
123.11698	3.1
125.09637	0.8
125.13299	0.5
127.03910	1.5
128.06247	0.5
129.06998	6.5
131.08562	5.8
133.06491	1.8
133.10088	3.1
133.44682	0.4
135.11702	0.8
137.06015	0.7
137.09615	0.9
137.13272	1.0
142.07771	1.6
145.04965	1.4
145.10144	1.0
147.04410	0.8
147.08046	1.9
147.11676	5.8
149.09613	3.4
157.10115	8.0
161.09576	0.5
163.06017	2.8
163.11223	1.2
165.12720	1.2
175.11185	7.1
175.12552	0.8
185.13292	0.5
189.05479	0.5
193.12231	23.7
199.07535	0.4
211.13348	1.8
235.13342	1.4
239.23790	1.8
249.14868	1.5
257.24777	2.7
259.13339	1.8
267.15894	100.0
268.16260	1.3
273.14929	1.2
277.14554	0.5
289.49359	0.4
301.14276	2.3
309.16934	2.7
313.27335	97.4
314.27713	2.1
319.15472	0.7
375.17935	1.1
393.19019	0.9
429.21582	0.5
431.35773	0.5
505.38852	84.5
506.39197	2.3
523.39856	1.6
547.32544	0.6
547.39972	6.1
549.83539	0.5
589.41162	0.7
601.40784	2.8
613.41016	1.5
631.41864	2.0
649.43298	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	909.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.1
69.03426	4.1
69.07066	0.8
70.06599	0.6
70.23380	0.8
70.23771	0.7
71.01362	0.5
73.02912	4.7
79.05486	2.8
81.03420	2.5
81.07045	3.7
82.57436	0.3
83.08633	0.6
85.02900	6.3
86.09679	0.4
91.03939	4.0
91.05484	2.0
93.07030	3.1
95.04984	0.5
95.08603	2.3
97.02885	6.4
97.10172	0.6
99.04478	1.1
105.07049	1.4
107.08600	1.2
109.02892	0.9
109.10119	0.6
115.03941	0.8
119.08578	1.1
121.10108	1.9
124.69421	0.4
126.00438	0.4
127.03960	1.7
129.07086	0.4
131.08607	0.8
133.10149	0.7
135.11766	0.5
147.11740	0.4
157.10211	0.6
185.04240	0.8
189.15295	0.5
193.12386	0.6
203.05247	0.7
212.71835	0.4
214.93381	0.4
219.63191	0.4
243.08389	2.4
275.08859	0.5
305.08505	0.5
335.25916	1.2
347.09482	2.0
349.57358	0.4
363.09012	0.6
365.10602	0.7
405.13654	4.7
406.98059	0.4
469.20401	3.9
519.29187	4.8
631.25702	3.2
681.34375	6.6
721.37378	0.5
739.37628	0.9
747.42938	1.4
909.48096	100.0
910.48352	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	912.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45094	0.4
65.03928	0.9
67.05495	0.9
68.05013	1.2
68.99088	0.4
69.03407	0.6
69.35811	0.9
69.36199	4.1
70.02953	2.7
70.06584	100.0
72.08149	17.4
79.05482	1.0
81.03423	2.0
84.08144	1.2
85.02887	1.3
86.09696	1.1
87.05583	6.0
91.05468	12.6
95.04968	1.3
95.06079	0.6
97.02900	1.0
97.04022	0.5
97.06545	1.2
97.07655	1.5
98.02401	2.1
98.06053	1.6
103.05435	2.1
105.03387	0.6
105.07014	0.7
106.06558	1.9
107.04971	1.8
108.39674	0.5
109.07632	0.6
110.02422	0.8
113.03506	0.7
115.08710	1.0
116.04990	1.4
117.05772	0.5
118.05685	1.1
118.06529	20.7
119.04929	3.0
119.07328	1.7
120.08094	6.3
121.02848	0.7
122.06050	1.1
123.04411	0.8
123.09230	0.4
125.07098	12.3
127.08641	0.4
129.10225	0.9
130.06500	3.2
130.07317	0.4
131.04919	1.5
132.04402	0.9
133.06537	0.6
134.06009	8.2
135.04427	0.9
135.06827	0.7
136.07568	9.6
137.05965	1.3
137.07114	3.1
138.07892	0.6
139.08652	1.1
141.02972	1.4
142.06145	1.6
144.08080	1.2
145.06522	0.9
145.07616	0.8
146.05994	39.7
147.04491	0.8
148.07695	0.6
150.05576	1.0
150.06517	2.0
151.07518	0.6
151.08667	0.7
153.06641	0.8
156.04489	1.2
158.05998	1.2
160.07632	1.2
160.11174	0.5
161.05991	0.6
162.05482	9.2
162.06714	0.6
163.08707	1.3
164.08163	1.1
165.05440	0.9
165.08954	2.1
167.08269	1.5
170.06087	0.6
170.09650	0.9
172.07593	1.7
172.11211	3.2
173.05959	1.2
173.07175	2.0
174.05492	2.9
175.07353	0.9
176.10779	1.2
177.06705	0.8
178.05101	0.5
179.08440	0.9
182.08096	2.1
184.07384	0.6
184.10802	9.7
185.07201	0.4
186.05495	0.6
187.12376	1.4
188.07013	1.4
189.06660	1.5
190.12209	0.6
191.08325	0.6
193.08504	1.5
194.09419	1.2
195.07629	5.1
197.10873	1.1
198.05423	2.2
199.12376	0.5
200.07047	0.7
203.08305	0.8
205.06007	0.6
206.09451	1.1
206.11842	0.5
207.08069	0.7
209.10892	0.6
212.08377	0.5
212.10251	6.0
214.04958	0.9
215.08226	1.2
215.11839	0.9
216.06509	4.5
217.06169	1.2
217.13431	1.7
222.09134	0.7
224.12029	2.8
225.10269	4.0
226.13419	1.2
227.11824	1.6
231.07674	0.7
232.10938	1.7
233.12897	1.9
234.08855	5.1
234.11266	1.7
235.07397	0.5
236.10728	1.1
240.10345	0.5
243.11423	1.3
247.13214	0.5
250.11885	1.3
251.11411	4.6
252.11340	8.8
253.09660	2.1
254.12845	7.6
259.07104	2.9
260.10272	14.4
261.12357	12.0
262.08749	0.7
267.11298	1.0
270.08926	0.5
270.12375	0.9
276.09613	5.2
278.12869	1.6
279.11267	2.9
280.10828	5.3
281.09174	6.0
281.15042	1.3
286.10776	4.4
287.05496	0.8
289.09482	0.7
294.12405	1.3
296.13962	2.2
297.12302	2.1
298.11853	7.2
302.07861	0.6
303.04895	0.5
304.85898	0.5
307.12827	4.0
313.16629	3.1
316.09735	0.7
322.11835	6.8
323.10110	4.7
327.13196	0.5
339.14478	7.0
340.12830	4.9
357.15543	24.1
358.13821	0.4
375.16531	3.9
376.12970	0.7
378.14529	2.0
378.19025	0.5
385.17542	3.3
392.12714	0.6
393.15295	0.7
404.12515	0.6
421.15118	1.5
454.17151	0.9
475.19928	1.1
492.22424	2.0
517.11578	0.8
520.21875	1.2
555.19165	0.5
556.24255	1.7
559.12469	1.0
572.21094	0.7
589.24506	1.3
598.20099	0.5
606.26343	2.2
615.22095	1.1
632.24554	3.0
684.26324	1.0
701.29327	5.9
714.28650	1.0
731.31348	0.8
766.39551	0.5
771.33148	0.5
781.31097	0.8
787.75476	0.5
798.34363	8.7
836.32336	1.1
850.34015	0.9
877.34937	0.9
878.33466	6.8
894.37634	2.0
895.36340	5.8
912.38629	20.6
913.38385	0.7
931.28137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.5
69.03424	3.8
69.07056	0.9
69.39894	0.7
69.40304	3.0
70.06580	0.5
70.35904	0.4
71.01364	0.7
71.04988	0.6
72.23264	0.4
73.02915	4.1
79.05488	2.0
81.03405	2.6
81.07047	3.8
83.04953	0.4
83.08603	0.9
85.02900	7.0
91.03956	3.3
91.05473	2.2
93.07056	2.4
95.04970	1.1
95.08615	2.4
97.02880	6.6
97.03414	0.5
99.04448	0.9
101.02380	1.7
105.07032	1.3
107.08600	1.3
109.02908	1.5
109.10167	0.7
115.03977	0.4
117.07032	0.6
119.08601	1.1
121.10178	1.4
127.03910	2.2
131.08583	0.9
133.10155	0.8
135.11626	0.6
145.10126	0.7
145.35664	0.4
146.45337	0.4
147.11659	0.7
147.21921	0.4
150.96138	0.4
159.11719	0.5
185.04250	1.1
189.55467	0.4
193.12315	0.8
203.05321	0.6
228.60109	0.4
243.08528	2.0
251.12529	0.7
335.26205	0.7
347.09399	1.9
363.08936	0.7
365.10544	0.9
405.13678	5.0
469.20319	3.3
514.01337	0.4
519.29156	4.3
631.25787	3.3
681.34430	7.0
721.37567	0.7
739.37183	0.9
747.42963	0.9
863.62726	0.5
909.48126	100.0
910.48419	4.7
932.61719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.5
67.05501	52.4
69.03423	5.9
69.06718	0.9
69.07064	13.8
69.95226	3.9
71.01347	0.7
71.04984	6.1
71.08614	0.7
73.02911	3.4
73.06560	0.7
79.05489	39.8
79.71971	0.6
81.03413	54.7
81.07050	51.9
83.04974	13.7
83.08615	22.1
85.02898	29.6
85.03423	1.1
85.06528	2.6
87.04457	1.0
91.03947	8.0
91.05474	36.0
93.07038	38.2
95.04961	22.4
95.08598	33.4
97.02882	9.3
97.06512	4.4
97.10139	5.1
99.04439	1.0
99.08089	2.2
103.05434	0.9
105.04479	1.2
105.07024	24.2
107.04934	5.6
107.08590	20.0
109.06519	3.5
109.10155	12.1
111.04441	1.9
111.08077	9.2
113.05981	2.0
115.05494	1.2
117.06995	4.8
119.04930	1.5
119.08574	22.1
121.06465	2.2
121.10133	18.3
123.08077	3.5
123.11699	4.7
125.09621	2.8
127.03894	3.7
128.06221	1.2
128.47089	0.7
129.07011	9.9
129.86952	1.1
131.08554	15.7
133.06499	2.7
133.10112	12.9
133.11063	0.9
135.08078	0.7
135.11696	7.7
137.09602	1.6
137.13264	1.1
141.07002	0.8
142.07765	2.3
143.08568	0.9
145.04939	3.3
145.10115	6.7
147.08043	2.4
147.11673	15.6
149.09584	5.6
149.13266	3.8
151.11145	0.7
153.12654	0.9
155.08694	0.8
157.10104	14.5
159.11632	3.8
161.13246	3.1
163.06007	3.1
163.11156	1.6
163.14825	1.1
165.12685	3.6
171.11818	0.9
173.13283	3.8
175.11180	13.3
175.14883	1.6
183.05328	0.9
187.14832	1.6
189.11215	0.9
193.12231	40.6
201.16362	0.8
211.13275	58.1
212.13713	0.9
216.61011	0.8
227.12674	1.9
229.14345	0.8
243.21198	2.1
261.22113	8.7
265.14337	0.9
267.15900	13.2
285.16934	72.4
286.17322	0.9
317.24789	2.7
335.25772	67.0
359.25815	0.9
417.31589	1.1
429.20740	0.8
435.32367	2.4
453.33615	2.2
471.34787	1.5
527.37238	14.2
545.38330	100.0
546.38531	2.5
563.39349	0.9
656.01147	0.9
904.49561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.0
67.05501	40.2
69.03428	5.0
69.07059	10.9
70.05150	1.5
70.05555	1.4
71.05003	3.8
73.02908	2.9
79.05484	33.3
81.03410	39.2
81.07049	42.5
83.04969	10.5
83.08614	16.6
85.02895	22.5
85.06548	1.8
91.03954	6.7
91.05473	27.8
93.07034	33.1
95.04961	16.8
95.08596	30.0
97.02884	7.1
97.06512	3.4
97.10147	3.9
99.04465	0.7
99.08099	0.7
103.05435	1.2
105.04527	0.8
105.07016	20.5
107.04939	4.0
107.08588	17.5
109.06514	3.8
109.10139	12.6
111.04462	1.6
111.08080	7.0
113.06004	1.8
114.44176	0.5
115.03815	0.6
115.05477	1.6
117.07014	4.8
118.11040	0.6
119.08572	18.0
121.06543	0.9
121.10126	15.9
123.08060	2.4
123.11664	3.2
125.09595	1.4
127.03913	2.9
129.06996	8.0
131.08554	13.2
133.06500	1.5
133.10117	13.0
133.49057	0.5
135.08037	0.9
135.11667	8.0
137.09575	1.4
137.13222	0.8
142.07782	1.9
143.08542	1.4
145.04962	2.8
145.10124	4.9
147.08012	2.0
147.11679	13.0
149.09625	3.7
149.13266	3.4
151.11220	0.7
153.09135	0.6
155.08543	0.9
157.10120	9.0
159.11688	3.2
161.13240	3.1
163.06017	2.0
163.11217	1.7
163.14810	1.2
165.12773	2.1
171.11624	0.7
173.13257	2.2
175.11182	8.8
175.12538	0.9
175.14780	1.0
177.12723	0.6
187.14832	1.1
193.10432	1.3
193.12216	25.3
211.13269	35.2
227.12781	1.0
243.21126	2.6
249.14763	0.7
259.32181	0.7
261.22125	9.6
267.15875	12.0
285.16940	43.5
286.17294	0.8
317.24826	2.2
335.25766	66.5
336.26208	1.8
359.25906	0.6
435.32657	2.1
453.33780	1.7
471.34564	1.1
497.31638	0.6
509.36816	1.0
527.37311	13.4
545.38318	100.0
546.38733	2.4
563.39496	1.1
689.41949	0.8
768.10986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38290	0.5
65.03864	1.1
65.68125	0.5
67.05408	18.7
67.05806	2.5
69.03336	3.3
69.06966	5.7
69.07365	0.7
70.06496	5.3
71.01317	0.5
71.04898	3.8
72.08047	1.4
72.29366	0.5
73.02864	1.3
76.04499	0.5
78.37303	0.4
79.05388	21.6
79.05886	2.0
81.03313	49.6
81.06953	18.9
81.07481	1.7
83.04875	4.5
83.08514	15.1
83.09040	1.0
84.08083	1.0
85.02800	4.9
85.06438	1.4
86.09612	1.6
86.46095	0.5
87.04382	0.6
91.03830	1.8
91.05368	16.5
92.06115	0.5
93.06932	17.6
93.07559	1.2
94.07278	0.5
95.04852	23.5
95.05520	1.5
95.08492	9.9
97.02884	4.8
97.06515	4.8
97.10052	13.8
99.04382	0.7
99.08033	0.7
105.07023	14.0
105.79440	0.5
107.04948	17.8
107.08588	12.5
109.02761	1.5
109.06509	15.3
109.10154	5.2
111.04339	1.2
111.07957	4.6
113.05907	0.8
115.05322	2.0
117.07003	6.1
119.04890	1.1
119.08568	10.9
120.08039	1.0
121.02734	0.9
121.06503	13.9
121.10132	10.7
123.04413	2.7
123.08070	5.8
123.11580	1.0
125.05918	1.1
125.09621	12.3
127.03802	1.7
128.06129	0.7
129.07004	9.2
129.10129	0.7
131.04932	2.7
131.08553	12.3
133.06467	4.1
133.10124	6.0
135.04271	0.8
135.08047	7.2
135.11566	2.3
136.07474	0.6
137.02289	0.8
137.05832	2.4
137.09488	1.5
139.11061	1.7
141.06877	1.5
142.07643	1.8
143.08539	2.9
143.10616	0.9
145.04874	1.0
145.06351	6.7
145.10127	5.5
147.04407	2.9
147.08020	5.2
147.11693	7.1
149.05928	0.9
149.09616	6.6
153.01706	1.9
153.09064	2.7
153.12605	1.6
155.08414	2.2
157.06412	1.6
157.10110	8.3
159.07907	2.4
159.09041	0.5
159.11525	2.4
161.05946	1.3
161.09479	2.0
161.13170	0.8
163.03796	1.0
163.05978	0.8
163.07387	0.7
163.11192	4.7
165.12622	1.5
167.08417	0.7
167.10561	1.3
169.09993	1.6
171.07924	2.4
171.10063	1.5
171.11597	2.3
173.09480	2.2
173.11838	0.6
173.13171	3.0
175.07465	1.2
175.11174	6.4
177.12624	1.2
179.10403	0.5
181.10054	0.7
183.07953	0.9
183.11548	1.2
185.09525	1.2
185.11583	0.7
185.13129	1.3
187.11145	1.4
187.14751	0.9
189.09070	1.0
189.11093	5.6
189.12648	1.1
191.10606	1.2
191.14323	3.7
193.12225	17.5
194.12450	0.6
195.11549	1.8
195.13388	0.7
197.09471	1.2
197.13124	1.6
199.11072	1.9
199.13034	1.2
201.12561	1.3
203.14238	0.8
205.12161	2.1
207.13716	0.8
209.11493	0.8
211.11208	0.9
211.13147	2.3
213.09270	0.5
213.12601	1.6
215.14233	1.3
217.12106	1.7
219.11754	0.9
219.13748	9.4
223.11206	0.8
223.13184	1.6
225.12712	0.8
227.12640	2.4
227.14548	1.0
229.14172	0.8
231.13690	1.4
233.15305	5.0
235.13150	1.8
237.12604	1.3
237.14799	0.8
245.15459	0.8
249.14832	1.8
255.13745	1.7
257.15430	0.7
259.13116	1.8
259.15317	7.3
261.14877	0.6
267.15897	52.6
268.16248	1.1
271.16916	0.7
273.14755	6.7
275.16388	1.1
283.06119	0.7
283.16870	0.8
285.09738	0.8
287.05438	1.0
293.17474	6.2
303.13184	0.7
309.16776	1.6
321.21960	1.0
331.20224	0.9
339.23251	2.6
349.21619	4.5
357.24008	2.9
367.22675	13.4
385.23712	20.6
399.10904	0.9
403.24799	6.5
423.25330	0.7
433.26089	1.8
441.26254	8.5
451.26801	4.9
456.25595	0.5
459.27393	100.0
460.27524	4.2
461.29053	1.5
475.26367	0.7
477.28461	99.8
478.28796	4.4
491.30139	8.9
495.29486	9.8
501.28595	6.7
509.31537	2.7
513.28625	2.1
519.29755	1.5
531.29468	1.4
543.29803	2.0
555.29657	1.5
567.29504	5.9
573.30878	1.1
577.81812	0.6
585.30511	1.7
603.31848	1.3
700.14142	0.9
900.36029	0.7
904.44781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.5
67.05498	42.1
68.09122	0.9
68.15633	0.8
69.03423	2.5
69.07060	10.8
69.73315	0.8
71.04983	2.8
71.52372	2.0
73.02916	1.9
77.03902	0.9
79.05484	38.3
81.03410	3.6
81.07047	41.3
83.04971	4.6
83.08608	8.9
85.02889	5.8
85.06515	1.6
91.03973	1.3
91.05466	18.4
93.07032	55.8
95.04964	7.6
95.08598	49.5
96.04537	1.0
97.02887	6.7
97.06502	4.2
97.10172	2.6
99.04434	4.0
99.08069	1.0
99.69257	0.9
105.07017	12.2
107.04940	6.6
107.08585	36.9
109.06519	2.8
109.10140	11.9
111.04411	1.9
111.08050	1.7
117.06996	12.0
119.08576	12.8
121.06490	5.5
121.10132	19.9
123.08033	1.0
123.11697	3.3
125.05991	2.0
125.09595	1.3
127.03928	1.6
129.08746	0.8
130.07753	1.3
131.08578	4.2
133.10117	5.9
135.08055	3.5
135.11679	51.9
137.09633	0.9
139.07559	2.0
143.08559	1.6
145.10109	33.2
147.11676	3.2
149.09558	0.8
149.13243	3.6
153.12759	1.5
159.11693	3.1
161.13297	2.1
163.11165	60.8
163.14790	2.0
173.09666	1.3
173.13283	2.2
175.14827	1.2
177.16359	1.1
181.12215	9.0
191.02600	0.8
209.11766	2.3
212.97150	0.8
227.12755	71.6
233.22870	1.1
243.21092	2.6
261.22107	8.9
283.15372	100.0
284.15866	1.3
304.01700	0.9
313.27130	1.7
317.24771	2.7
335.25763	87.3
336.26096	2.0
341.06766	0.9
469.33804	0.9
543.36761	93.2
544.36792	2.8
902.47247	1.2
903.48456	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	902.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03899	1.3
65.69539	0.5
67.05497	31.3
69.03379	2.1
69.07061	8.3
71.04939	2.0
71.08609	0.7
71.60735	0.6
73.02858	1.4
76.59303	0.5
77.03876	0.5
79.05482	29.8
80.42133	0.4
81.03428	2.2
81.07050	33.1
83.04964	2.6
83.08610	6.4
85.02892	2.6
85.06504	0.8
86.70406	0.5
91.03900	1.8
91.05471	12.8
93.07032	39.0
95.04962	5.8
95.08593	41.7
97.02883	3.9
97.06489	2.8
97.10136	2.2
99.04454	2.6
103.05415	0.5
105.06392	0.7
105.07018	9.5
107.04946	5.2
107.08582	25.7
109.06470	2.0
109.09479	0.7
109.10147	10.8
111.04396	1.0
111.08039	1.3
115.05384	0.8
117.07004	7.5
119.07782	0.7
119.08562	10.2
121.06499	3.8
121.10125	17.6
123.08014	0.9
123.11697	2.7
125.05920	1.9
127.03867	0.8
130.07738	0.9
131.08549	4.3
133.10118	6.2
135.07983	1.8
135.11676	37.5
137.13226	0.8
139.07462	1.3
139.39841	0.5
143.08511	0.8
145.04874	0.7
145.10104	19.7
147.11671	2.3
149.13243	3.0
151.11127	0.5
153.12685	1.0
159.11673	1.8
161.13174	1.7
163.11163	39.6
163.14784	1.5
164.11496	0.7
173.13239	1.7
175.14737	0.8
177.16412	0.5
180.17946	0.5
181.12189	6.5
187.14832	0.9
209.11732	1.4
222.05132	0.5
226.92998	0.5
227.12747	49.9
228.13127	1.1
243.21112	1.7
261.22104	7.2
261.38550	0.4
283.15353	55.8
284.15598	0.5
317.24765	2.5
335.25757	97.2
336.26129	2.6
543.36749	100.0
544.36957	4.0
653.08710	0.4
860.26025	0.5
888.12244	0.5
903.49072	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	898.536
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	26.8
67.49936	4.0
68.69453	3.9
69.07055	12.3
69.77946	15.6
69.78378	11.6
71.08624	22.4
79.05487	19.3
81.03412	28.4
81.07042	25.4
82.50306	4.1
83.04965	12.6
83.08620	13.3
85.02897	12.7
85.10168	12.0
91.05484	14.4
93.07040	16.4
95.04961	12.3
95.08602	25.0
97.02883	16.9
97.06525	5.1
97.10175	13.3
99.04474	5.5
105.07006	9.7
107.04934	26.2
107.07856	3.7
107.08582	16.4
109.10137	12.2
111.04452	9.8
119.08558	7.8
120.37475	3.8
121.10130	6.6
125.09627	4.6
131.08568	4.2
135.11708	15.0
145.10123	12.7
153.12743	18.9
163.11198	26.3
173.09615	7.8
180.22878	4.4
181.12236	14.3
191.10666	18.1
199.13292	11.8
209.11728	16.7
227.12752	28.4
229.14421	6.9
265.14337	16.7
283.15329	47.7
301.16382	4.8
313.27350	100.0
401.20370	4.3
467.37323	14.3
503.37045	6.4
539.39508	5.3
804.21332	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	900.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	16.1
69.03419	1.7
69.07059	8.5
69.37278	5.0
69.37702	6.5
71.05001	1.5
71.08628	22.7
71.25235	1.2
73.02917	2.6
79.05489	9.9
81.03413	55.8
81.03900	2.8
81.07054	17.6
83.04977	2.7
83.08614	18.1
84.96895	1.2
85.02896	4.8
85.10181	11.5
86.09704	1.6
89.06046	2.6
91.03947	5.0
91.05476	10.7
93.07026	7.5
95.04961	18.0
95.08598	20.4
97.02877	4.2
97.06536	2.0
97.10160	5.4
103.47535	1.1
105.07034	8.6
107.04961	3.9
107.08579	5.0
109.06525	1.4
109.10136	8.6
111.04507	1.6
111.08076	4.6
117.07034	1.6
119.08577	6.8
121.06490	2.6
121.10146	5.2
123.11662	3.2
129.06963	7.2
131.08562	6.3
133.06526	2.7
133.10101	3.6
141.90860	1.3
145.04906	1.8
145.10127	2.2
147.08034	3.4
147.11681	5.1
149.09608	3.2
157.10107	8.0
163.05980	3.9
165.39398	1.3
175.11168	6.2
193.12236	24.5
200.04602	1.2
239.23715	1.8
249.14684	1.5
257.24649	2.9
259.13300	1.5
267.15903	100.0
301.14337	1.8
309.17007	3.0
313.27347	98.0
314.27750	3.4
337.27734	1.3
377.02368	1.2
383.82495	1.2
437.50409	1.3
505.38885	87.3
506.39243	3.0
538.63770	1.7
547.39685	5.2
601.40625	3.5
613.40912	1.4
631.41595	1.9
900.51929	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	896.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55484	0.6
67.05500	11.1
69.03399	1.8
69.07063	4.7
69.67956	0.5
71.01328	1.1
71.08629	14.8
71.61185	0.5
73.02926	2.6
76.01939	0.5
76.98190	0.5
78.57136	0.5
79.05485	4.4
81.03408	3.5
81.07048	14.6
83.04941	1.7
83.08616	12.4
85.02430	0.7
85.02901	9.5
85.06533	0.9
85.10183	9.1
89.05999	1.1
91.03957	6.8
91.04977	0.9
91.05478	11.0
93.06552	0.7
93.07041	8.5
95.04971	3.0
95.08606	11.4
97.02888	7.8
97.06495	2.0
97.10163	3.7
99.00810	10.9
99.04412	1.1
99.11700	0.7
103.05446	1.1
103.07536	0.9
103.17949	0.5
105.06392	0.7
105.07026	10.7
107.04951	3.5
107.08571	4.1
109.02870	6.1
109.06493	1.8
109.09571	0.6
109.10147	6.6
111.04417	1.2
111.08062	2.9
111.11756	0.6
115.03924	1.4
117.07001	1.9
119.08582	5.6
121.06524	4.2
121.10116	0.8
123.04407	1.2
123.08072	0.6
123.11704	3.5
127.03908	4.8
128.06165	1.1
131.08531	1.2
133.10124	23.9
135.07986	0.6
135.11719	1.3
137.05954	1.2
137.09613	0.7
137.13158	0.6
139.07524	2.4
143.08569	2.8
145.04958	2.3
145.06433	0.8
147.04361	0.5
147.08086	0.8
151.11172	6.9
161.09596	12.4
163.05980	2.4
165.09148	0.7
166.04285	0.6
171.08017	2.2
179.10669	7.5
189.09065	5.8
197.11703	2.2
207.10194	2.8
225.11211	5.9
239.23773	1.5
243.12299	2.0
257.24658	1.2
281.13843	10.0
299.14874	100.0
300.15158	1.1
313.27347	78.8
314.27710	1.3
389.24341	0.6
397.99890	0.6
441.45950	0.5
443.67551	0.7
510.77173	0.8
537.37842	57.8
538.37793	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	894.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26900	0.3
65.03947	0.5
67.05500	7.7
68.05015	1.6
69.03426	1.0
69.07065	3.4
70.06587	16.9
71.04936	0.3
71.08625	4.8
71.12476	0.4
71.12832	0.6
72.04514	0.5
79.05489	6.1
80.05015	1.1
81.03407	1.3
81.05792	1.0
81.07053	7.2
82.06577	3.2
83.04964	0.8
83.08611	5.0
84.04507	1.5
84.08133	1.3
85.02903	1.1
85.06550	0.5
85.10178	3.1
86.06059	1.0
87.04527	0.3
89.06033	0.5
91.03915	0.5
91.05476	5.0
93.05777	0.7
93.07034	4.1
94.06561	20.2
95.04959	1.4
95.07359	1.9
95.08598	6.2
96.04467	1.0
96.08125	2.2
97.02917	1.0
97.06529	0.7
97.10159	6.7
97.10758	0.4
98.06043	1.9
98.09657	0.3
99.04401	0.3
102.96174	0.3
105.07015	2.4
106.06537	0.4
107.04945	1.1
107.07349	2.3
107.08579	2.7
108.08113	4.8
109.05268	3.2
109.06493	0.7
109.08923	0.6
109.10155	2.0
110.06029	3.8
110.09669	0.6
111.08047	0.4
112.07605	1.4
117.07026	1.1
119.08578	1.9
120.08099	3.0
121.06477	0.5
121.08895	0.7
121.10137	1.6
122.06048	0.7
122.09659	4.4
123.06812	0.4
123.08076	1.0
123.11682	0.7
124.07599	1.2
125.09632	3.9
126.05509	1.4
126.09166	0.4
127.03947	0.3
129.06992	1.0
131.08560	1.0
132.08101	0.5
133.10109	0.5
134.06000	1.7
134.09666	1.8
135.08035	0.4
135.10461	0.5
135.11693	1.0
136.07565	1.9
136.11229	0.8
145.10135	1.6
147.11726	0.9
148.07542	1.7
148.11234	1.1
149.08366	9.4
149.09628	2.2
149.13187	0.4
150.12766	0.5
152.05699	0.4
155.10847	0.3
157.10129	0.6
159.11693	0.3
161.11986	0.3
162.09128	3.2
162.12769	0.9
163.09941	1.2
163.11188	1.7
175.11221	1.0
176.10713	1.1
176.14345	2.7
177.15074	1.7
178.07219	0.8
178.15971	1.0
180.13799	0.3
186.12856	0.6
188.14401	0.6
189.11293	1.9
190.12305	0.6
191.10591	0.4
194.15363	1.0
197.11676	3.4
204.13835	2.9
205.14604	7.8
206.15408	0.5
222.14864	16.4
223.15549	0.8
227.12752	1.9
239.23758	0.4
240.15929	9.4
257.24768	0.5
258.17020	0.5
296.18552	15.4
297.19403	1.0
313.23862	0.3
313.27322	7.7
314.19586	6.1
337.35297	0.3
389.18106	0.4
404.19952	0.3
435.34903	0.3
467.89435	0.4
483.36880	0.5
534.41510	9.2
535.42230	1.1
552.42566	100.0
553.42792	2.0
570.34808	0.4
570.43677	7.8
714.47803	16.4
715.48694	0.3
723.39697	0.3
724.39539	0.5
732.47382	0.4
876.53101	5.3
894.50171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46471	0.3
66.12266	0.3
67.05499	2.1
67.12075	0.3
69.03419	3.5
69.07056	0.8
69.46874	1.3
69.47301	1.2
70.06590	3.0
71.01366	0.8
71.04996	1.6
71.77769	0.3
72.08131	0.4
73.02907	4.5
79.05487	2.8
81.03412	4.9
81.07056	3.2
81.52914	0.3
83.04974	1.0
83.08617	1.2
83.52696	0.3
84.04494	0.5
84.08147	1.0
85.02902	7.1
85.06553	0.4
86.09705	0.9
87.04474	0.6
91.03940	2.9
91.05468	3.4
93.07041	2.5
95.04969	2.1
95.08598	1.0
97.02892	6.7
97.06534	0.9
101.02378	1.9
103.03960	0.4
105.07012	1.8
107.04981	0.5
107.08596	0.8
109.02895	0.9
109.06533	0.7
109.10164	0.9
110.07206	0.4
111.04463	0.3
111.08094	0.7
113.06001	0.4
115.03920	0.4
119.08557	1.8
120.08105	0.6
121.10157	1.2
123.08072	0.4
127.03905	2.0
128.61473	0.3
129.07018	0.7
129.10246	0.4
131.08580	1.6
133.10133	1.2
135.08167	0.3
135.11688	0.3
137.05971	0.4
145.04991	0.7
145.10123	0.5
146.05949	0.3
147.04483	0.3
147.11661	1.6
149.09538	1.4
157.10138	1.4
165.12840	0.4
175.11176	1.4
181.53363	0.3
185.04156	0.7
193.12250	2.0
193.27196	0.3
197.15344	0.3
203.02136	0.4
203.05351	0.8
211.13370	0.9
220.31761	0.3
225.14917	0.5
243.08395	2.2
251.12767	0.8
267.16046	0.9
269.12457	0.5
283.06323	1.1
283.15195	2.3
285.17032	0.6
307.15225	0.5
339.17899	0.8
347.09351	2.3
363.09048	0.6
365.10907	0.7
385.35559	0.3
405.13654	5.4
407.72833	0.3
456.19373	0.3
469.20419	8.7
469.26996	0.4
501.23001	7.3
511.70364	0.3
567.31927	0.4
631.25659	6.9
663.28339	6.5
709.25037	0.4
729.36639	2.5
748.23987	0.4
891.41907	100.0
892.41815	2.6
918.64258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.8
69.03419	3.0
69.07063	0.8
71.01343	0.6
71.05010	0.3
71.08624	1.4
73.02919	3.7
79.05488	1.5
81.03402	2.5
81.07057	2.3
82.20406	0.3
83.04975	0.7
83.08617	1.2
85.02898	6.7
85.10188	0.6
87.04474	0.4
87.30929	0.3
90.01614	0.3
91.03957	3.7
91.05464	1.9
93.07053	1.0
95.04973	1.1
95.08601	1.5
97.02879	5.7
99.04434	0.6
101.02366	2.3
103.03942	0.3
105.07044	1.3
107.08607	0.8
109.02879	0.8
109.10135	1.5
115.03928	0.6
119.08577	0.7
123.11667	0.4
127.03893	1.8
131.08575	0.6
133.10172	1.2
145.05020	0.7
145.10168	0.3
147.11699	0.7
157.10167	0.5
175.11258	0.6
185.04301	1.1
193.12328	0.8
203.05336	0.7
243.08357	2.0
251.12579	0.5
253.14426	0.6
269.12415	0.6
307.15182	0.6
313.27472	1.0
347.09424	2.1
363.09167	0.5
365.10657	0.8
405.13635	5.0
405.18481	0.4
469.20416	8.5
497.30917	4.4
631.25714	6.8
637.58997	0.3
659.35876	4.0
661.49414	0.4
721.89648	0.5
725.44342	2.5
773.66974	0.4
887.49664	100.0
888.49927	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	888.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09661	1.1
65.03931	3.8
66.46774	1.3
67.05499	100.0
67.75740	1.4
69.03409	7.8
69.07062	26.7
71.01329	2.3
71.04979	9.2
71.08624	1.5
73.02909	3.2
79.05486	52.3
81.03409	20.7
81.07049	67.6
83.01336	1.7
83.04972	13.4
83.08609	18.3
85.02897	10.8
85.06544	3.2
87.04449	5.0
91.05474	44.0
93.07034	46.2
95.04964	18.4
95.08588	27.8
97.02896	7.9
97.03429	1.3
97.06514	11.9
97.10150	13.7
98.21532	3.2
99.04465	3.4
99.08100	3.0
105.07019	27.7
105.07677	2.4
107.04947	12.3
107.08580	32.7
109.02882	1.8
109.06538	8.8
109.10149	54.2
110.10505	1.3
111.04454	2.5
111.08085	7.6
113.09632	1.5
115.05417	1.7
116.04727	1.8
117.07007	14.5
119.08575	23.8
121.06495	3.7
121.10141	15.2
121.10970	1.9
123.08062	5.0
123.11720	3.2
125.09620	16.9
127.03918	2.7
128.06284	1.7
129.05469	5.1
129.06999	5.2
130.07814	1.6
131.08549	15.0
133.06454	2.3
133.10123	14.1
135.08032	5.4
135.11684	10.8
137.09628	3.6
139.11259	1.3
143.08554	5.3
143.10669	2.1
145.10112	11.8
146.38937	1.3
147.08084	2.1
147.11667	11.7
149.09654	10.3
149.13272	9.7
151.11189	3.6
153.12743	2.9
155.08563	2.0
155.10640	2.9
157.10115	4.2
159.11713	12.9
161.13251	3.2
163.11192	12.2
165.09241	1.7
165.12764	1.3
168.87210	1.4
169.10030	1.7
171.11642	2.6
173.09621	2.6
173.11726	13.7
173.13219	3.5
175.11195	3.3
177.12756	3.9
181.12263	2.7
183.11751	2.4
185.13191	1.5
187.14883	1.8
189.11206	3.7
191.10724	2.7
192.50156	1.3
193.12245	4.5
195.13846	5.5
197.13295	2.3
199.13318	5.6
201.12827	1.4
209.11798	5.2
211.13342	2.3
219.13890	1.3
227.12750	11.4
229.14317	38.6
245.13599	1.8
247.20641	2.5
253.14268	1.4
255.15907	8.6
257.18942	7.7
267.15897	7.0
269.17404	17.8
275.20041	25.4
283.15396	4.6
293.21155	3.4
301.16434	11.0
331.22510	1.9
339.18030	1.6
342.74695	1.4
349.23697	18.2
399.23868	13.1
409.25858	8.7
423.27396	21.1
475.94467	1.7
477.28564	2.2
495.29489	3.6
503.33707	10.3
521.34668	2.0
575.35315	2.6
579.34967	3.9
593.36890	21.2
621.15118	1.5
673.42511	4.3
691.44867	2.5
888.48767	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	886.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	1.5
67.05496	46.7
67.80189	0.8
69.03427	10.0
69.07059	19.6
71.04980	3.1
71.45622	1.6
73.02909	1.3
78.93401	1.0
79.05484	23.2
81.03410	7.5
81.07047	24.7
81.67725	0.9
83.04971	5.5
83.08609	11.1
85.02882	6.5
85.06528	2.0
87.04448	1.9
91.04959	1.6
91.05473	19.0
93.07024	15.9
93.41492	1.1
95.01321	1.0
95.04970	8.9
95.08601	10.8
97.02882	9.3
97.06516	3.0
97.10153	12.3
101.64805	1.1
103.03885	0.9
105.07021	11.5
107.04955	7.0
107.08585	12.3
109.06470	2.8
109.10146	32.1
111.08057	2.4
117.07024	6.0
119.04965	1.6
119.08584	12.9
119.31194	1.0
121.06501	3.1
121.10120	5.9
123.08062	3.8
123.11627	1.3
125.09614	13.0
129.05461	2.4
129.06987	3.3
131.08583	6.5
133.06465	2.8
133.10088	6.0
134.07193	1.0
135.08092	2.9
135.11664	2.4
137.09625	3.4
143.08505	2.1
145.10094	6.8
147.08070	4.5
147.11667	2.6
149.09613	2.3
149.13229	2.3
153.12721	1.6
153.81555	1.0
157.10069	2.6
159.11650	2.4
161.09634	3.5
163.11150	3.6
165.09068	2.3
173.09567	1.2
173.11731	8.9
175.11150	1.6
177.86191	1.1
181.12225	1.4
189.11176	5.1
191.10573	1.7
193.12164	2.1
199.13278	5.1
205.12173	1.9
209.11630	2.2
211.13165	2.0
223.13275	15.2
227.12801	7.1
229.12050	1.6
229.14322	25.8
245.13637	1.0
249.14781	3.3
267.15811	2.2
271.15533	1.6
273.18460	11.1
283.15344	3.0
291.19507	100.0
292.19934	1.7
301.16483	7.3
313.27005	1.7
347.22174	1.5
365.23199	32.4
399.23676	10.8
489.31934	1.7
507.33344	1.4
509.38275	1.1
519.33154	27.1
529.52576	1.1
573.34094	2.1
591.35065	6.5
609.36115	1.7
689.42603	10.7
719.78125	1.3
737.78900	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	886.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.1
67.05498	17.0
69.03423	3.8
69.07071	4.6
70.06619	0.6
70.66213	2.1
71.04985	2.6
73.02906	1.4
79.05487	20.0
81.03410	83.4
81.07049	18.8
83.04982	8.4
83.08609	21.4
85.02415	1.1
85.02895	13.2
85.06537	2.0
91.03953	2.4
91.04885	0.8
91.05469	23.2
93.07032	12.9
95.04958	28.2
95.08609	7.0
96.05256	0.8
97.02885	4.6
97.06519	3.5
97.10168	6.7
99.04449	1.0
99.08096	0.7
103.05434	0.7
105.07021	16.1
107.04934	8.7
107.08578	7.7
109.06498	3.7
109.10152	4.3
111.04430	3.0
111.08071	8.8
113.05965	1.3
115.05455	1.7
117.06994	3.1
119.04902	1.8
119.08570	17.4
121.06506	4.8
121.10142	7.1
123.04395	0.9
123.08054	2.7
123.11698	1.3
125.09605	4.7
127.03894	0.7
129.06987	10.9
131.04895	1.4
131.08559	10.8
133.06480	4.2
133.10120	7.6
135.08061	1.5
135.11716	1.2
137.05957	1.2
137.09602	1.6
139.24039	0.5
141.06935	1.1
142.07759	2.4
143.08521	2.0
145.06480	6.3
145.10091	2.4
147.08029	4.8
147.11668	11.0
149.09602	6.9
153.09109	0.8
155.08592	1.2
157.06450	1.2
157.10101	12.5
159.08044	0.9
161.05925	0.6
161.09604	0.8
163.05933	0.8
163.11168	3.0
165.12738	2.3
165.94061	0.6
169.10135	0.9
171.08015	1.7
171.11734	1.3
173.09566	1.8
175.11176	12.8
176.82825	0.7
183.11641	0.9
185.09468	1.2
185.13268	1.1
187.07782	0.7
187.11206	0.8
189.09273	0.6
189.11203	1.7
193.12228	34.1
195.11713	1.1
197.09694	1.2
197.13264	1.1
199.11211	1.1
205.12143	0.9
211.11275	1.0
211.13243	13.0
213.12628	0.8
223.13184	0.8
227.12704	1.7
229.14331	1.3
231.13849	0.8
233.15298	1.6
235.13306	1.3
249.14920	1.9
255.13799	2.8
259.13281	0.9
267.15894	100.0
268.16211	1.1
273.14828	5.1
285.16916	13.5
301.14182	1.4
309.16904	1.4
323.19977	0.9
339.23203	1.6
341.21054	2.6
349.21518	2.7
367.22595	8.3
385.23679	12.6
403.24701	3.2
405.24310	1.0
415.24567	0.8
433.25803	17.7
441.26257	7.8
459.27362	80.9
460.27634	2.3
477.28427	44.7
478.28433	1.0
491.29843	1.3
501.28027	0.9
519.29370	3.2
525.28284	0.8
573.29938	1.2
585.30054	1.7
603.31244	1.7
621.32343	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	885.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.4
67.99340	0.7
69.03440	3.2
70.83215	0.6
71.08624	1.9
71.61167	1.1
73.02924	3.6
79.05501	1.2
81.03413	2.0
81.07055	1.8
83.08617	0.9
85.02900	5.3
85.10181	1.0
87.04522	0.7
91.03967	2.7
91.05443	0.8
93.07043	1.2
95.08627	1.6
97.02892	5.2
97.10223	0.6
98.21542	0.7
99.04436	1.3
101.02396	2.5
103.27737	0.6
103.72751	0.7
109.02930	0.8
109.10210	0.9
109.87090	0.6
119.08585	0.9
121.10126	0.8
123.08064	0.8
127.03941	2.2
135.11717	0.9
159.55023	0.6
163.11145	1.0
191.89046	0.7
203.05266	1.1
243.08498	2.3
300.05402	0.7
347.09479	1.9
365.10529	0.8
405.13672	5.1
452.90024	0.7
467.18915	8.5
497.30829	5.6
629.24243	8.2
659.35712	4.5
723.43323	2.1
867.98730	0.8
885.48010	100.0
886.48224	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	885.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	0.7
69.03435	2.3
69.34009	3.9
71.08630	0.7
73.02908	2.6
79.05506	0.9
81.03430	1.3
81.07059	1.2
83.08623	1.0
85.02903	3.2
85.10164	0.6
91.03965	2.6
91.05496	0.6
93.07052	1.4
93.13086	0.3
95.08605	2.5
97.02901	4.1
97.10156	0.3
99.04479	1.1
101.02390	1.4
105.07064	0.5
107.04980	0.4
107.08617	1.0
109.10180	0.7
121.10184	0.4
127.03906	1.3
127.37617	0.3
135.11720	1.7
144.38503	0.3
145.10202	1.0
163.11195	3.3
181.12276	0.6
185.04277	0.8
203.05328	0.4
208.80615	0.4
227.12779	1.9
243.08243	1.7
249.11026	5.5
249.13412	0.6
305.13626	1.8
313.27420	0.5
347.09637	2.4
365.10693	0.8
405.13614	5.3
467.18872	10.8
467.25174	0.6
497.30878	5.2
546.98840	0.5
561.37531	0.5
593.91779	0.4
629.24091	6.4
629.34393	0.4
630.24872	0.5
631.18469	0.4
659.36115	5.0
662.94208	0.4
723.42859	2.3
810.30396	0.4
842.42584	0.4
885.48041	100.0
886.48395	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	884.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21561	0.4
63.39492	0.3
65.03943	0.4
67.05163	0.6
67.05499	8.8
69.03413	1.5
69.07064	2.6
69.63013	1.8
69.63426	0.8
70.06587	3.7
71.01344	0.5
71.04972	1.4
72.08154	0.7
73.02908	1.1
79.05485	8.9
81.03411	22.7
81.07048	7.9
83.01322	1.6
83.04975	3.4
83.08611	7.3
84.04495	0.6
84.08132	0.5
85.02897	3.8
85.06547	0.5
85.07639	0.5
86.09692	2.3
91.03928	1.7
91.05470	7.3
93.07034	7.9
95.04962	9.3
95.08598	4.4
96.89852	0.3
97.02879	2.7
97.06511	1.6
97.10160	4.4
98.20673	0.3
99.04448	0.9
105.07027	5.9
107.04958	4.9
107.08585	4.7
109.02853	1.1
109.06518	2.6
109.10165	2.2
111.04421	1.3
111.08068	2.0
115.05437	0.5
117.07004	2.6
119.04951	0.7
119.08558	5.3
120.08055	0.4
121.06504	2.6
121.10107	3.7
121.32330	0.3
123.04465	0.9
123.08076	3.0
125.05964	0.7
125.09608	3.0
127.03955	0.8
128.06255	1.0
129.06996	3.4
130.07744	0.5
131.04889	1.0
131.08556	4.6
133.06479	1.7
133.10118	2.3
135.04373	0.6
135.08061	1.5
135.11671	3.4
137.05984	0.4
137.09637	1.1
139.11143	0.5
141.10127	0.4
142.07782	0.7
143.08510	0.8
145.05008	0.8
145.06488	1.7
145.10112	4.7
147.04414	1.1
147.08031	2.7
147.11656	2.2
149.05981	0.5
149.09648	1.7
153.09061	0.4
153.12704	1.2
155.08606	0.8
157.06403	0.5
157.10095	3.2
159.08044	0.6
159.11726	0.7
160.05167	0.4
161.05968	2.7
161.09615	0.5
163.03894	0.4
163.06091	0.7
163.11179	6.3
165.12741	0.4
169.09917	0.8
171.08012	0.6
171.11670	0.8
173.06033	0.8
173.09639	1.9
173.11821	0.4
175.11157	2.2
181.12268	1.0
183.08121	0.4
183.11708	0.6
185.09590	0.5
189.09163	0.8
189.11217	1.5
191.10680	1.5
193.12216	5.8
199.11333	0.4
203.14215	0.4
205.12225	0.9
207.11855	0.5
209.09944	0.4
209.11707	1.4
211.11223	0.8
211.12993	0.5
211.14746	0.4
213.09125	0.5
227.12671	2.0
229.12080	0.4
231.13828	1.6
235.13318	0.8
243.13756	0.8
259.13333	0.7
265.14273	0.7
267.13010	0.7
267.15884	14.6
269.15390	0.5
271.13245	1.0
273.14886	1.8
283.06332	0.5
283.15378	13.3
285.17157	0.4
287.16327	0.7
289.14191	2.1
290.27063	0.4
301.14212	0.4
303.15970	0.4
309.17111	0.6
319.15128	0.4
327.97076	0.3
337.21713	0.5
347.20276	0.6
355.22736	1.2
365.21179	2.4
383.22125	11.3
384.22391	0.5
401.23187	5.5
402.23553	0.4
419.24411	1.3
421.23746	1.1
431.24402	0.6
439.24698	1.5
457.25818	22.3
458.26080	0.9
475.26880	100.0
476.27225	2.7
493.27878	10.2
499.27063	0.8
517.27740	3.4
541.27582	0.9
571.29059	0.9
583.28992	0.7
601.29858	1.2
619.30768	0.8
831.34277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.448
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30317	0.6
66.72775	0.6
67.05500	12.1
69.03413	2.1
69.07059	3.8
70.06588	6.3
71.01327	0.6
71.04973	1.9
71.14825	0.6
71.60262	0.6
71.60693	0.8
72.08128	0.9
73.02908	1.1
77.03912	0.7
79.05486	14.2
81.03410	37.0
81.07051	13.2
83.04974	5.1
83.08604	10.9
84.04477	1.6
84.08118	1.5
85.02905	3.8
85.06504	1.4
86.09695	5.2
89.20927	0.6
91.03954	2.4
91.05467	12.5
91.05999	1.0
93.07029	18.1
95.04960	12.4
95.08596	15.6
97.02884	4.7
97.06525	3.7
97.10167	2.1
99.04454	1.8
103.05463	0.7
105.07023	7.7
106.07261	0.6
107.04956	6.5
107.08592	11.3
109.02879	0.7
109.06499	3.6
109.10155	3.6
111.04414	3.0
111.08077	4.3
111.71700	0.7
113.05969	0.7
113.80005	0.7
115.05451	0.7
116.73970	0.6
117.07011	4.2
119.04978	0.9
119.08566	10.1
120.08086	1.2
121.06508	4.5
121.10139	8.2
123.04427	1.0
123.08065	1.4
125.05966	1.0
125.09613	1.7
127.03937	1.0
127.77908	0.6
129.06985	4.9
129.10162	0.9
131.08549	4.9
133.06509	1.7
133.10107	5.3
135.08046	1.6
135.11673	23.3
137.05963	0.8
137.09622	1.3
141.10222	1.1
142.07726	1.1
143.08562	1.0
145.06487	0.9
145.10106	13.1
147.04385	0.7
147.08055	2.1
147.11679	3.8
149.09587	3.5
153.12723	2.0
157.10144	6.0
160.05037	1.2
161.05974	1.0
163.03949	0.8
163.11159	32.3
165.12744	1.3
169.09775	1.4
172.04387	0.6
173.09535	1.3
175.11159	5.1
181.12218	5.9
191.10611	1.3
192.07751	1.0
193.12233	11.8
209.09752	0.7
209.11632	1.6
210.10330	0.7
211.13222	1.8
227.12756	32.8
241.14302	0.9
247.13225	0.7
249.14758	1.0
267.15894	75.0
268.16245	2.0
283.15369	49.7
285.16980	2.1
315.18109	0.9
365.21191	1.0
383.22229	2.7
390.22333	0.7
401.23386	1.1
457.25839	5.3
475.26886	100.0
476.27310	3.6
493.28067	6.6
507.29382	0.7
517.27917	2.6
525.30511	2.3
583.28595	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	882.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42522	0.5
65.03915	0.7
67.05498	17.0
69.03426	3.7
69.07061	7.6
69.62922	3.3
71.04987	3.4
71.08624	16.7
73.02913	3.0
79.05483	12.7
81.03410	33.1
81.07050	22.1
83.04974	7.8
83.08608	17.9
85.02898	23.5
85.06512	1.8
85.10172	9.4
87.04417	0.8
89.05985	1.1
91.03942	6.9
91.05476	16.1
93.07037	9.0
95.04369	0.6
95.04962	14.7
95.08598	14.8
97.02891	6.7
97.06476	2.0
97.10165	5.0
99.04448	0.5
99.08025	1.1
99.11660	0.5
103.07575	0.5
105.07021	12.2
107.04965	3.0
107.08582	4.0
109.06471	1.8
109.10148	5.6
111.04431	1.1
111.08076	6.3
111.11687	0.5
113.05979	2.1
115.03854	0.6
115.05363	0.6
117.06993	0.9
119.07785	0.7
119.08573	10.6
121.06467	0.7
121.10123	5.1
123.08026	1.5
123.11699	2.7
125.09602	0.8
127.03894	2.2
129.07002	6.1
131.08549	6.7
132.09167	0.5
133.06477	1.2
133.10123	7.3
137.09555	1.0
137.13188	1.1
142.07768	1.9
145.04939	2.9
145.10095	1.0
147.08018	2.3
147.10646	0.7
147.11687	9.8
149.09601	4.2
157.10110	9.1
163.06036	2.8
163.11113	0.8
165.12732	2.0
175.09724	0.7
175.11172	9.5
190.45872	0.4
193.12227	27.4
194.12587	0.5
211.13271	42.7
212.13560	1.0
239.23669	1.8
249.14764	0.9
249.79904	0.5
257.24695	1.1
267.15884	14.7
285.16937	59.5
286.17294	0.9
313.27338	66.4
314.27765	1.0
363.53781	0.5
505.38809	14.9
506.38635	0.5
523.39905	100.0
524.40454	2.3
744.01764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	8.4
67.05502	9.8
69.03420	2.1
69.07074	5.0
70.98560	1.1
71.01392	0.9
71.04967	2.2
71.08626	12.3
73.02908	2.8
79.05494	8.2
81.03410	5.4
81.07047	12.3
83.01336	4.8
83.04955	5.4
83.08609	10.1
85.02895	10.9
85.10175	8.5
89.06013	1.3
91.03953	6.3
91.05479	5.0
93.07034	12.4
95.04956	4.3
95.08607	11.8
97.02865	5.4
97.06527	2.2
97.10168	3.7
99.04420	1.4
99.11750	1.6
105.07010	4.5
107.04945	3.1
107.08603	6.1
109.06488	3.3
109.10130	5.7
117.07026	2.4
119.08570	5.5
121.06483	1.9
121.10136	3.9
123.08071	5.0
123.11697	1.9
127.03925	2.4
131.08594	1.2
135.07985	1.2
135.11685	7.3
137.89650	0.9
143.08557	1.4
145.04967	3.0
145.10115	8.1
147.08069	1.1
151.07645	1.1
153.12671	1.4
157.49123	1.0
163.05984	3.6
163.11188	15.0
173.09669	1.6
181.12187	3.0
209.11700	4.1
227.12849	2.1
257.24652	1.4
261.05743	1.0
283.15384	100.0
313.27350	66.0
314.27606	1.9
521.38367	51.5
522.38824	1.9
652.20044	1.0
806.90991	1.2
816.59796	1.1
880.52368	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	880.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02890	2.2
67.05501	9.9
69.03399	1.3
69.07074	7.3
69.32191	5.1
71.04953	1.2
71.08629	13.5
73.02879	1.6
79.05488	10.4
81.03360	1.5
81.07054	13.9
81.99165	0.5
83.04944	2.0
83.08624	9.5
85.02888	3.5
85.10180	8.5
89.06021	0.9
91.03911	1.6
91.05484	3.4
93.07040	18.2
95.04968	4.4
95.08602	29.8
97.02898	3.7
97.06503	2.5
97.10183	3.6
98.20749	0.9
99.04404	1.6
103.05444	1.0
103.07526	0.9
105.07031	3.7
105.36535	0.5
107.04943	4.9
107.08588	16.7
109.06475	0.6
109.10146	4.6
111.04395	1.0
111.08060	0.7
117.06994	4.3
119.08585	6.2
121.06530	2.8
121.10144	7.8
123.11654	1.7
125.05957	1.6
127.03898	0.7
130.07722	1.0
133.10120	1.3
135.08057	0.8
135.11691	30.3
137.13214	1.1
139.07524	1.2
143.08521	0.9
145.04929	0.6
145.10121	17.6
153.12708	0.5
163.11176	44.5
173.09616	0.9
181.10774	0.6
181.12227	7.3
201.87201	0.5
227.12775	50.6
228.13097	0.9
231.06865	0.5
239.23619	1.3
257.24652	1.2
283.15387	83.5
284.15683	1.6
313.27353	82.7
314.27789	1.5
315.75665	0.5
376.45667	0.5
521.38385	100.0
522.38623	4.1
561.64996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	3.6
65.03925	1.6
67.05495	19.2
69.03423	5.2
69.07057	5.3
70.06590	9.7
71.01322	0.9
71.04976	4.1
72.08138	2.9
73.02897	2.2
74.06052	1.0
74.08058	0.6
79.05058	1.3
79.05487	18.9
81.03410	72.4
81.07047	18.9
82.03750	0.8
83.04978	7.7
83.08612	18.2
84.04490	2.2
84.08134	4.4
85.02896	13.9
85.06556	1.6
86.09702	5.0
91.03939	2.6
91.05473	22.9
93.06468	0.8
93.07037	14.7
95.04351	1.3
95.04961	26.1
95.08035	0.9
95.08599	8.5
97.02880	6.5
97.06525	4.5
97.10168	5.2
97.25291	0.6
99.04460	0.9
103.05436	0.9
105.07021	17.0
107.04950	7.6
107.08587	7.1
109.06494	4.9
109.10141	3.2
110.07101	0.9
111.04416	2.6
111.08061	7.5
112.40417	0.7
113.05996	1.1
115.05453	1.9
116.07119	0.7
116.98570	0.8
117.07003	2.7
117.20267	0.6
119.04942	1.9
119.07780	1.1
119.08567	13.9
120.08098	3.8
121.02783	0.9
121.06481	5.6
121.10142	7.8
123.04423	1.2
123.08067	2.9
123.11693	1.8
125.05941	1.1
125.09616	3.3
127.03928	2.6
128.06201	1.2
129.06990	11.7
129.10231	1.0
131.04861	1.0
131.08557	9.6
133.06454	3.1
133.10123	8.6
134.99622	0.7
135.04442	0.9
135.08009	1.3
135.11670	1.4
137.05974	2.8
137.09599	1.6
139.03934	0.7
141.06964	0.9
142.07768	2.7
143.08524	1.6
145.02739	1.0
145.05057	1.5
145.06456	5.7
145.10088	3.4
147.04391	2.9
147.08051	4.1
147.11679	10.8
149.09624	5.3
151.03870	0.9
151.11159	1.0
152.05609	1.1
153.01714	0.7
153.05472	0.8
153.09050	1.3
155.08524	1.4
157.06450	1.0
157.10112	12.7
159.07957	1.6
159.11650	1.1
161.05951	1.5
161.09532	1.0
163.03961	1.2
163.11151	2.9
165.12785	2.5
171.11636	1.2
173.09579	1.2
173.13104	1.0
175.07568	1.0
175.11169	10.8
177.05571	1.8
181.10048	0.8
189.11212	0.8
189.12813	1.0
193.12224	28.0
194.12592	0.8
195.11586	1.0
197.09615	1.0
197.13295	1.2
199.11227	1.0
205.12172	0.8
211.13281	12.1
213.12663	1.2
215.14159	0.8
219.13737	1.4
227.12672	1.0
229.14264	1.1
233.15265	1.4
237.12650	1.0
249.14888	2.2
255.13829	2.5
267.15894	100.0
268.16187	1.9
273.14859	4.3
285.16989	11.8
287.05505	1.3
301.14264	0.8
313.03241	1.7
339.23199	1.3
341.20898	1.0
349.21548	2.3
355.16010	0.9
357.24277	1.0
367.22824	6.0
385.23743	8.9
403.24680	3.3
405.24103	0.7
415.24847	1.1
433.25793	14.7
441.26224	6.2
449.09012	1.2
459.27383	70.6
460.27768	2.4
477.28433	49.5
478.28894	1.1
495.29202	2.0
501.28513	1.9
519.29065	1.9
557.08990	0.8
567.28961	0.9
573.30249	1.1
585.30182	1.9
603.31506	1.4
619.68817	0.8
621.32043	1.4
636.81628	0.9
669.14508	1.2
776.14825	0.9
786.22705	1.1
791.28802	0.9
872.45392	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	868.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	8.9
68.05025	1.2
69.03426	8.2
69.07069	4.5
70.06586	7.2
71.04987	91.1
71.08627	6.1
72.04518	1.1
73.02901	1.7
73.44656	0.7
79.05485	11.7
81.03413	3.4
81.07045	10.1
82.06553	1.0
83.04985	2.3
83.08604	6.1
84.08138	4.0
85.02901	1.6
85.10181	3.1
86.06085	4.3
88.03996	3.7
91.05469	4.9
93.07034	3.4
94.06593	0.7
95.04971	1.8
95.08584	5.7
95.09056	0.6
96.08112	10.4
96.13890	0.6
97.02912	0.7
97.04763	0.7
97.10153	6.3
98.06036	4.6
99.04474	0.6
104.07108	0.7
105.07038	1.1
106.06570	2.3
107.04964	0.7
107.08600	4.3
109.02893	2.5
109.10176	4.0
111.04424	1.5
111.08090	1.8
112.07584	6.3
112.92880	0.6
113.08405	0.6
114.05508	1.0
114.09181	1.0
117.07021	1.2
119.08597	1.5
121.10146	0.9
122.06164	0.8
124.07591	6.0
125.09661	3.1
133.10138	1.0
135.08057	2.9
135.11703	0.7
140.06998	0.9
142.08597	5.1
145.10126	1.1
147.08041	0.9
153.09158	2.6
158.08093	6.1
170.08229	1.5
184.07411	0.9
185.06082	0.8
189.11244	1.0
193.12347	0.7
227.12740	3.3
248.16478	0.8
271.15585	1.4
312.18030	30.7
313.27386	6.8
321.87299	0.7
330.19220	2.4
404.22998	2.3
509.37915	0.9
604.96191	0.8
612.23145	2.5
624.44226	1.1
630.24500	1.1
642.45697	100.0
643.46344	2.5
645.86859	0.8
669.82385	0.8
747.57477	0.7
807.34351	0.8
850.45282	0.9
868.47156	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	866.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04523	2.6
61.02924	2.7
65.03928	1.3
67.04250	0.9
67.05167	0.9
67.05499	12.9
68.05013	2.8
69.03419	2.8
69.07066	3.9
70.06588	28.7
70.91888	0.9
71.04980	1.6
71.06914	0.5
72.04507	0.8
72.08139	1.5
73.02905	1.0
74.06079	0.6
79.05487	13.4
80.05007	1.5
81.02966	0.8
81.03413	10.7
81.05782	1.3
81.07049	12.8
82.03747	0.6
82.06570	4.6
83.04974	3.4
83.07357	1.0
83.08617	6.4
84.04505	3.9
84.08141	5.8
85.02422	0.7
85.02902	9.2
85.08496	0.5
86.06058	1.4
86.09707	3.1
91.03934	1.7
91.05476	16.3
93.05794	0.8
93.07039	10.1
94.06564	28.2
95.04961	5.9
95.07351	2.3
95.08595	6.0
96.04498	1.4
96.08121	2.9
97.02901	4.3
97.06528	2.6
97.10152	5.8
98.06049	3.3
99.04424	0.7
100.03941	0.5
103.05441	1.0
105.07025	7.8
106.06567	0.6
107.04950	4.2
107.07339	2.6
107.08568	4.8
108.08112	6.4
109.02892	1.0
109.05260	4.2
109.06492	1.5
109.08883	0.6
109.10131	2.1
110.06049	5.7
110.09679	1.0
111.04449	0.7
111.08075	2.6
112.07597	1.9
113.06010	0.5
115.05382	0.6
116.06268	0.6
117.07008	3.0
117.15791	0.4
119.04939	1.0
119.08585	6.7
120.08110	6.4
121.06548	1.1
121.08907	0.9
121.10128	3.7
122.06010	1.8
122.09664	6.0
123.08072	2.1
124.07551	1.2
125.05952	0.5
125.09602	4.3
126.05510	2.4
127.03916	1.4
128.06151	0.9
128.65192	0.4
129.07025	2.2
129.10255	1.5
131.04906	0.7
132.08070	1.0
133.06506	1.0
133.10124	2.7
134.06006	1.3
134.09651	2.9
135.08044	1.1
135.11678	1.5
136.07567	4.7
136.11203	0.9
137.05995	1.5
137.07887	0.5
137.09639	1.5
138.09164	0.7
142.07784	1.4
145.10138	3.3
146.06017	0.6
146.64139	0.5
147.04391	1.3
147.08017	0.8
147.11697	3.3
148.07552	3.4
148.11263	0.5
149.08359	14.3
149.09604	3.0
149.12021	0.6
149.13190	0.5
153.01816	0.6
155.08557	0.7
157.10115	3.5
160.11217	0.5
162.09100	4.6
162.12798	1.2
163.09892	1.4
163.11159	2.3
164.14326	0.5
165.09154	0.8
173.06038	0.5
175.11165	3.0
176.10710	1.2
176.14326	3.7
177.11497	0.6
177.15160	2.1
178.15903	1.8
186.12770	0.5
189.11206	1.7
189.12750	0.5
190.12315	0.6
192.75443	0.4
193.12263	4.5
194.15407	1.6
197.11684	2.9
204.13815	4.7
205.14595	9.9
206.15323	1.3
209.05972	0.4
211.13322	2.0
222.14882	20.4
223.15562	0.9
227.12767	1.8
240.15923	10.3
259.09653	0.6
267.15878	2.8
276.06070	0.4
279.86313	0.5
285.16904	4.2
296.18555	11.9
296.21729	1.0
297.19250	2.1
303.04688	0.7
307.98746	0.5
314.19562	10.1
317.06512	3.6
318.06931	1.9
319.07187	0.5
342.07428	0.5
459.27078	0.6
470.16983	0.5
488.30200	2.9
506.31119	26.5
507.31372	1.3
510.30368	1.5
524.32159	100.0
525.32306	4.0
529.98145	0.5
542.33221	5.7
668.37024	1.2
686.37439	20.1
687.37628	0.9
704.38501	0.8
802.99377	0.6
848.27374	0.8
848.42523	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	861.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.3
67.05499	5.9
69.03423	3.3
69.07060	3.2
71.01389	0.5
71.04993	0.5
71.60466	0.4
71.60909	0.5
73.02901	3.2
77.59605	0.4
79.05480	5.0
81.03416	2.3
81.07045	5.1
83.04986	1.0
83.08601	1.0
85.02895	3.8
86.09706	1.0
91.03954	1.9
91.05478	4.1
93.07035	4.0
95.04979	1.2
95.08610	2.7
97.02876	3.6
97.06546	0.9
97.10152	0.5
99.04485	0.7
101.02398	1.4
105.07014	2.9
107.08592	2.2
109.06529	0.6
109.10167	1.4
117.07026	1.2
119.08543	2.2
121.10159	1.1
123.08017	0.4
123.11725	0.4
125.00002	0.5
127.03911	1.2
131.08595	1.3
133.10162	1.1
135.08049	0.6
135.11716	0.7
136.06133	0.5
143.08565	0.4
145.10187	0.6
147.11696	1.0
163.11124	0.6
184.07385	2.2
185.04189	0.4
243.08467	3.0
333.20300	3.5
389.23022	1.0
439.19547	2.1
453.21161	1.3
469.20535	0.9
538.01062	0.4
551.28174	11.6
551.36121	0.7
763.42944	0.7
861.49579	100.0
862.49493	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	861.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.1
62.70017	0.5
65.03941	0.8
67.05502	6.6
69.03429	2.1
69.07062	4.1
70.06609	0.6
71.04627	0.5
71.04990	1.1
71.61243	0.9
73.02903	2.9
79.05488	5.0
81.03423	2.2
81.07053	5.6
83.04984	1.0
83.08614	1.3
85.02899	4.3
86.09686	1.1
91.03938	1.7
91.05466	3.9
93.07050	4.5
95.04948	2.4
95.08605	2.9
95.16541	0.5
97.02899	4.1
97.06514	1.0
97.10163	0.8
99.04458	1.1
101.02388	1.7
105.06425	0.5
105.07021	2.6
107.04936	0.9
107.08593	2.6
107.69055	0.5
109.02878	0.8
109.06548	1.0
109.10152	0.9
111.08153	0.6
117.07060	1.3
119.08605	2.2
121.10129	1.5
123.11768	0.7
125.00039	0.6
127.03928	1.0
129.06999	0.7
131.08607	1.3
133.10181	1.8
135.11690	1.4
136.06213	1.4
137.05878	0.4
145.10167	1.2
149.09669	0.6
152.05672	0.5
159.11670	1.0
184.07416	0.8
185.04323	0.7
243.08417	3.9
308.76727	0.5
333.20337	3.1
357.67014	0.5
389.22766	0.8
439.19485	2.0
453.21036	2.2
469.20490	0.6
551.28284	11.7
551.36273	0.9
755.48364	0.6
763.42346	1.0
861.49561	100.0
862.49683	3.9
872.48706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.9
67.05502	8.0
67.62791	0.5
69.03423	2.9
69.07066	3.1
71.01359	0.8
71.04971	0.9
71.60760	1.0
72.15685	0.5
73.02907	3.0
79.05491	6.1
81.03419	3.3
81.07047	8.6
83.04976	1.6
83.08624	1.8
85.02911	4.3
86.09711	1.0
86.41538	0.6
87.04489	0.8
91.03959	2.3
91.05492	4.5
93.07035	4.4
95.04980	2.5
95.08600	3.4
97.02901	3.4
97.06521	1.1
97.10191	1.3
101.02380	1.5
105.07056	3.6
107.08583	3.7
109.06522	0.8
109.10133	2.8
111.08070	0.8
113.21141	0.6
115.76501	0.5
117.07005	1.4
119.08578	2.1
121.10152	1.8
125.09632	1.3
127.03951	0.7
131.08580	1.6
133.10162	1.8
135.08089	0.7
135.11679	1.4
143.08559	0.5
145.10062	1.1
147.08134	0.7
157.10089	0.7
159.11736	0.8
184.07303	2.7
193.63152	0.6
196.04561	0.6
223.13365	0.9
227.20090	1.0
228.20490	0.8
229.14410	0.7
243.08434	3.7
269.17621	0.8
274.26422	0.6
291.19714	1.3
331.18787	1.8
333.20245	1.3
335.25888	1.0
365.02936	0.5
453.20990	1.2
501.35278	0.7
517.39594	0.7
549.26624	5.5
551.28143	4.7
859.48047	100.0
860.48126	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	859.481
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02924	2.8
61.55123	0.4
67.05499	6.8
68.05840	0.4
69.03424	3.2
69.07053	4.0
70.34012	1.4
71.01349	0.4
71.04987	0.7
71.08630	0.6
73.02910	2.9
78.52130	0.4
79.05484	5.7
81.03436	2.8
81.07053	6.3
83.01298	0.4
83.04997	1.0
83.08619	1.7
85.02895	3.9
85.06583	0.5
86.09719	0.9
91.03963	1.9
91.05473	4.1
93.07047	4.8
93.56588	0.5
95.04977	1.9
95.08593	3.6
97.02898	3.7
97.06509	1.2
97.10152	2.1
99.04443	0.5
99.08102	0.7
101.02381	1.5
105.07016	3.5
107.04975	1.0
107.08584	2.9
109.02853	0.5
109.10159	2.1
109.18059	0.4
117.07023	1.7
119.08575	2.5
121.06556	0.6
121.10153	1.4
123.49951	0.4
125.00012	0.5
125.09663	1.3
127.03971	1.3
131.08586	1.3
133.10161	1.5
135.08035	0.7
135.11703	0.9
136.66843	0.4
137.09644	0.4
140.42636	0.5
145.10156	1.1
147.11725	0.8
149.09625	0.6
149.13342	0.9
159.11743	0.5
161.13258	0.5
163.11119	0.8
171.11705	0.5
175.11299	0.5
184.07227	2.4
185.04243	0.7
203.05104	0.4
211.29503	0.5
223.13361	1.7
243.08386	3.7
269.17487	1.2
270.18002	0.5
273.86880	0.4
291.19711	1.6
301.09018	0.6
301.28104	0.5
331.18823	1.3
333.20578	1.5
335.25778	0.5
351.25574	0.5
384.94116	0.4
387.21802	0.5
439.19409	0.6
453.21024	0.9
544.36792	0.6
549.26672	5.7
551.28253	6.5
591.73596	0.5
859.48059	100.0
860.48499	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	859.392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	7.7
67.05490	2.6
69.03431	5.0
69.07063	0.9
69.26267	0.3
69.30383	2.7
69.30809	0.9
70.06593	3.3
70.80451	0.3
71.01368	0.5
71.04987	1.0
72.08147	2.5
73.02913	5.4
74.11794	0.3
76.03998	0.3
79.05486	3.0
80.10384	0.3
81.03413	6.5
81.03848	0.5
81.07053	3.0
83.04986	1.5
83.08633	1.5
84.04511	0.3
84.08151	1.2
85.02901	10.3
85.06549	0.4
86.09699	1.6
87.04471	0.6
91.03951	4.8
91.05476	3.7
93.07050	2.3
93.61816	0.4
95.04955	2.4
95.08620	1.4
97.02885	8.6
97.06519	0.8
99.04468	1.6
101.02368	1.8
102.40263	0.4
103.03951	0.9
105.07024	3.4
106.95422	0.3
107.04970	1.2
107.08616	1.0
108.12002	0.4
109.02896	1.1
109.06502	0.5
109.10184	0.8
111.04451	0.4
111.08119	0.7
113.06015	0.4
115.03938	0.8
119.08567	2.2
120.08122	0.7
121.10174	1.1
123.08060	0.3
127.03905	2.8
129.07022	1.0
129.10223	0.7
131.08580	1.4
133.06596	0.4
133.10112	1.8
136.06206	0.5
142.07787	0.7
145.04987	0.7
145.10089	0.5
147.11720	1.2
149.09586	0.7
157.10190	1.3
162.07851	0.4
169.03409	0.4
175.11255	1.5
185.04268	1.2
193.12308	3.0
203.05301	1.0
208.73375	0.3
211.13313	2.1
212.48880	0.3
243.08440	2.9
245.51277	0.3
251.12628	1.6
267.15924	0.7
269.12576	0.7
271.07977	0.4
285.10172	0.8
285.17053	0.7
307.15051	1.8
347.09503	2.8
363.09064	0.7
365.10727	1.0
405.13654	6.7
438.18851	0.4
439.69302	0.5
440.68716	0.4
469.20462	17.0
474.14822	0.4
535.29462	0.4
592.38855	0.4
631.25677	13.3
697.33801	2.4
859.39264	100.0
860.39429	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	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.5
65.03940	4.3
67.05502	76.4
69.03421	10.4
69.07064	41.9
70.73945	3.1
70.74294	2.1
71.04989	8.0
71.08646	1.5
71.21148	1.7
73.02908	2.9
79.05486	67.1
81.03420	18.7
81.07053	100.0
83.04985	16.3
83.08617	19.2
85.02898	5.8
85.06529	6.1
87.00177	1.6
91.05473	64.1
93.07036	75.3
95.04961	19.1
95.08598	40.8
97.02871	5.5
97.06516	19.2
97.10165	15.3
99.04472	3.0
99.08083	4.5
101.02374	1.6
102.04601	1.6
103.03961	1.6
103.05432	2.4
105.07024	51.3
107.04960	9.6
107.08589	49.5
109.02894	2.3
109.06498	9.4
109.10152	19.1
111.04430	2.7
111.08076	7.6
115.05399	2.0
117.07008	23.9
119.08578	37.5
119.09435	1.9
121.06498	6.5
121.10140	22.3
123.08073	9.4
123.11699	6.5
125.09618	8.8
127.03922	3.6
128.06203	2.5
129.05528	2.5
129.06952	10.5
131.08548	28.4
131.25926	1.6
133.06485	2.4
133.10121	32.8
135.08047	5.3
135.11673	25.6
137.09595	2.4
138.89119	1.6
139.11162	1.6
141.06952	2.7
142.07799	1.9
143.08566	8.5
145.06453	2.4
145.10112	20.3
147.08080	1.6
147.11670	19.4
149.09618	18.1
149.13269	15.2
151.11182	4.5
155.08553	4.5
157.10139	9.9
159.11679	21.1
161.09656	3.7
161.13258	7.4
163.11224	11.9
164.49121	1.5
165.12727	2.1
167.08592	2.2
169.10132	5.7
171.10274	2.3
171.11681	8.0
173.04431	3.7
173.09653	2.3
173.11792	2.2
173.13254	7.3
175.11198	3.5
177.12741	6.3
179.14304	6.8
181.10152	2.3
181.12119	2.1
183.11687	6.4
185.13219	3.3
187.11266	3.2
187.14886	2.5
189.11160	4.3
193.12224	2.3
195.13788	11.8
197.13234	5.1
199.14867	2.2
201.12831	1.7
209.13251	2.0
211.14818	3.0
213.14752	2.1
227.12764	12.5
229.14226	1.9
229.19505	4.6
235.16899	2.1
239.17874	4.2
247.20547	6.5
251.16478	2.0
255.15877	16.3
257.19009	14.3
267.16101	3.6
269.17444	45.4
273.18478	2.6
275.20065	48.4
289.53561	1.5
291.19540	3.4
293.20914	4.8
309.20874	2.1
313.27148	1.7
321.24234	2.6
331.22714	3.4
349.23724	39.6
353.24518	1.8
367.24655	6.9
413.21414	2.9
433.30588	1.9
435.27151	2.9
439.26764	2.2
449.28903	25.1
451.32166	2.0
453.68945	1.6
463.30536	35.6
525.35590	6.6
529.35431	9.6
543.36804	39.2
544.35980	2.1
561.37384	6.4
607.34869	1.9
623.42889	7.4
637.07874	2.1
641.43970	4.3
808.93756	1.8
857.45880	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	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	3.4
64.80881	1.8
65.03929	6.7
67.05499	95.6
69.03429	12.9
69.07062	50.4
71.04983	8.1
71.22017	4.5
73.02897	2.8
79.05489	80.5
80.20024	1.7
81.03408	18.6
81.07049	100.0
83.04975	17.8
83.08611	23.0
85.02908	7.2
85.06531	5.2
86.09686	2.3
91.05473	62.8
93.07038	74.4
93.07625	3.9
95.04960	21.1
95.08601	45.9
97.02888	7.4
97.06524	24.3
97.10169	20.2
99.08079	4.0
103.05449	2.0
105.07024	55.7
107.04949	15.1
107.08582	54.0
109.02875	4.1
109.06482	10.4
109.10155	20.5
111.04463	3.7
111.08066	8.6
115.05428	3.1
115.69037	1.6
117.07013	26.0
119.07774	3.8
119.08570	42.8
121.06509	9.3
121.10137	20.4
123.08079	5.7
123.11703	5.0
125.00004	2.0
125.09628	16.1
127.03951	4.4
128.06169	2.9
129.05490	2.8
129.06993	10.3
130.07758	2.5
131.04929	2.4
131.08559	33.6
133.10120	38.4
135.08096	8.5
135.11652	18.4
137.09595	5.5
141.07013	3.8
143.08536	11.1
145.06450	2.1
145.10104	30.0
147.08044	3.2
147.11662	17.7
148.25270	2.0
149.09619	19.8
149.13289	12.8
151.11183	3.8
153.09061	2.3
155.08519	8.3
157.10129	11.2
159.11664	21.9
161.09560	4.7
161.13249	8.8
163.11142	13.1
165.12782	3.2
169.10143	6.5
169.38089	1.8
171.10316	3.8
171.11694	10.3
173.04376	2.3
173.13141	10.5
175.11143	4.4
177.12756	7.3
179.14212	5.0
181.12169	2.8
183.11690	5.1
184.07344	5.1
185.13271	3.9
189.11218	11.2
195.11780	3.1
195.13817	9.0
197.13312	4.3
199.14841	2.7
201.12735	3.5
213.16316	2.1
215.85011	1.7
217.16133	2.0
227.12749	20.8
229.14256	3.9
229.19505	4.4
233.15488	2.1
239.18004	5.9
243.08656	2.0
245.13715	2.6
247.20607	3.5
255.15802	11.5
257.19043	15.0
267.15979	2.3
269.17441	37.9
275.20053	57.1
291.19537	3.0
293.21036	5.1
321.24365	3.8
331.22513	3.4
349.19705	3.5
349.23734	48.5
367.24561	5.1
439.27032	2.4
445.29425	2.8
449.29086	14.3
463.30539	15.4
525.35919	2.9
527.36469	2.2
529.35162	12.4
543.36847	39.5
549.26099	3.1
561.37500	4.4
623.42761	12.5
641.43750	5.8
857.46539	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	856.453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	68.2
67.05502	54.4
69.03425	7.3
69.07067	9.0
69.52704	8.2
70.06610	1.2
71.01371	1.2
71.04983	2.5
71.08641	1.2
73.02911	25.5
79.05489	32.5
81.03413	8.1
81.07055	59.1
83.01329	1.3
83.04964	2.5
83.08605	7.4
85.02902	95.6
85.06543	2.3
87.04456	2.1
91.03953	73.1
91.05477	17.8
93.07043	41.5
93.61763	0.9
95.04969	5.0
95.08604	50.5
97.02888	42.7
97.06527	4.0
97.10163	5.0
99.04465	4.9
99.08090	1.3
101.02402	1.4
103.03927	1.6
105.07030	13.4
107.08589	28.1
109.02918	3.3
109.06501	1.8
109.10155	32.0
111.08083	2.4
111.11769	1.1
112.99804	1.0
113.09616	1.8
115.03965	5.3
117.05530	1.3
117.07033	7.3
119.08575	14.6
121.10137	29.4
123.08102	2.0
123.11697	14.5
125.09634	3.0
127.03909	36.8
129.05495	1.1
129.06969	1.1
131.08554	15.7
133.10129	10.9
135.11681	21.4
137.09576	1.1
137.13242	8.1
139.11205	2.0
145.04955	50.5
145.10117	12.2
147.11678	11.4
149.09662	1.4
149.13261	18.4
149.14371	1.7
151.11160	2.0
151.14842	3.0
153.12799	1.4
159.11697	14.7
161.13242	9.1
163.06012	98.6
163.11205	1.6
163.14812	12.0
165.12743	3.5
173.11852	1.7
173.13252	13.5
175.14845	4.1
177.12775	2.8
177.16389	6.4
179.14275	4.0
181.07109	1.1
184.07355	1.4
187.14807	8.2
189.16444	1.0
191.14294	2.9
193.12256	1.9
201.16367	3.0
204.08701	1.7
205.16006	2.7
215.17924	1.4
227.12596	1.4
229.14317	2.8
233.22707	4.1
243.15938	1.3
243.18507	1.3
243.18925	0.7
243.21074	39.2
261.22134	100.0
262.22589	1.2
263.23724	2.9
267.15881	3.1
279.23157	5.3
325.11298	4.1
335.25803	36.0
353.26855	81.0
354.27313	1.4
479.29932	2.4
497.31259	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	854.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.9
64.73466	1.0
65.03938	3.7
67.05499	54.3
69.03419	12.0
69.07063	36.3
71.04977	4.0
71.60867	1.5
73.02917	1.2
79.05488	46.4
81.03413	11.8
81.07050	52.6
83.04977	8.7
83.08615	14.3
85.02897	5.2
85.06543	4.0
91.05473	41.4
93.07039	44.1
95.04966	15.2
95.08596	22.3
97.02883	10.7
97.06529	8.8
97.10163	13.3
99.04457	1.4
99.08076	2.1
103.05475	1.2
105.04530	1.1
105.06304	1.2
105.06464	0.7
105.07019	29.3
107.04951	10.6
107.08591	29.7
109.06525	5.6
109.10146	14.3
111.04420	1.6
111.08051	4.0
115.05427	2.3
117.07013	15.1
119.04909	1.5
119.08574	21.7
121.06514	6.9
121.10117	11.2
123.08067	3.6
123.11704	3.6
125.09610	10.4
127.03899	1.9
129.07039	6.5
131.08542	17.2
133.06479	3.1
133.10118	21.9
135.08037	5.1
135.11705	10.1
135.37787	1.0
137.09601	2.8
139.11176	1.1
143.08525	4.8
145.06416	1.6
145.10097	13.5
147.08047	5.9
147.11650	8.2
149.09634	8.8
149.13258	8.5
151.11205	5.3
155.08502	2.0
157.10106	5.6
159.11681	9.9
161.09613	4.2
161.13245	3.3
163.11150	5.4
167.08571	1.2
169.10143	2.0
169.12242	1.1
171.10188	1.0
171.11650	2.9
173.09589	1.3
173.11769	2.2
173.13295	3.2
175.11194	4.6
177.12718	3.9
179.14374	2.6
183.11734	2.1
183.84923	1.0
184.07393	1.1
185.13214	2.5
187.11205	1.2
189.11194	7.2
195.13724	6.2
197.13326	1.2
203.14236	1.2
205.12244	2.1
223.13243	17.1
227.12781	8.6
229.14351	1.1
233.15381	1.3
239.17863	1.8
245.13702	1.1
245.19026	1.7
249.14766	2.6
253.14226	6.1
255.15724	6.3
257.19003	3.7
263.20056	1.3
267.15820	2.5
269.17447	24.5
269.99332	1.2
273.18512	18.2
275.20001	14.5
276.20401	1.1
291.19516	100.0
292.19800	1.9
293.21075	1.6
309.20566	1.7
331.22614	1.6
347.22220	4.2
349.23773	11.0
365.23215	40.4
366.23413	1.2
367.24594	1.9
461.28967	1.5
541.35260	3.2
545.34515	14.3
557.34088	1.5
559.36279	64.7
560.36005	1.7
576.22528	1.4
621.41321	1.5
639.42560	14.3
657.43152	3.4
854.45880	14.4
855.45001	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	854.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.4
65.03925	1.6
67.05497	47.8
69.03427	11.5
69.07060	36.1
70.14472	3.3
71.01333	0.9
71.04437	1.2
71.04980	3.9
73.02921	1.7
76.67953	1.0
77.03936	1.0
78.29148	0.8
79.05486	40.2
81.03410	10.3
81.07047	47.3
81.70357	0.9
83.04969	6.3
83.08608	12.5
85.02905	3.4
85.06523	2.9
91.04887	1.2
91.05470	32.3
93.07034	35.5
93.07620	1.7
95.01311	1.2
95.04964	12.5
95.08595	22.5
95.09152	1.7
96.08136	2.1
97.02891	9.9
97.06517	11.4
97.10163	17.0
99.04459	1.1
99.08070	1.2
103.05495	1.1
105.07018	27.4
107.04947	12.5
107.08578	29.5
109.02853	1.8
109.06509	5.7
109.10134	12.7
111.04422	1.9
111.08076	4.2
115.05437	2.1
116.06278	1.3
117.07001	13.4
119.04971	1.9
119.08575	22.6
121.06503	4.0
121.10142	10.3
123.08035	4.5
123.11702	2.5
125.09631	11.7
127.03906	2.6
128.06203	1.0
129.06978	5.8
131.08571	15.5
133.06477	4.3
133.10120	15.5
134.07219	1.2
135.08035	6.6
135.11662	8.0
137.09625	3.5
141.06975	1.6
142.07814	1.0
143.08546	5.8
145.05125	0.9
145.06477	2.4
145.10121	12.6
147.08025	7.5
147.11673	7.7
149.09615	10.4
149.13216	5.8
151.11205	2.8
153.09087	1.8
155.08546	1.4
157.10110	4.6
159.08110	1.0
159.11665	10.2
161.09615	3.6
161.13315	3.1
163.11195	7.3
165.09163	1.3
165.12869	1.6
169.10063	1.5
171.11688	2.9
173.09634	1.5
173.13303	3.3
175.11221	2.3
177.12743	3.0
179.14355	1.4
181.12399	1.3
183.11739	2.7
185.13293	1.6
187.11247	1.6
189.11215	8.3
195.11876	0.9
195.13838	3.4
197.13200	1.9
199.11235	1.5
205.12247	2.4
211.13191	1.4
223.13255	17.3
227.12735	15.0
229.14444	1.2
229.19528	1.4
239.17940	2.0
247.20612	1.0
249.14891	2.8
251.16461	1.1
253.14337	3.2
255.15768	5.9
257.18976	6.9
267.15887	1.3
269.17459	15.4
273.18497	14.0
275.20004	20.8
291.19516	100.0
292.19867	2.9
293.21149	1.3
297.21997	1.1
331.22748	2.3
336.28055	0.9
347.22253	2.2
349.23703	19.3
365.23206	41.6
366.23611	1.0
367.24738	1.4
390.29718	1.2
413.21707	1.3
461.28882	1.3
519.32892	2.1
525.90967	0.9
527.33667	1.3
535.32581	2.3
541.35455	2.3
543.36383	1.2
545.34680	13.4
559.36249	39.3
599.39355	1.6
621.41321	1.8
639.42480	24.3
640.42719	1.5
657.43225	2.6
703.39441	1.1
854.45825	6.1
855.44830	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	853.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	8.6
67.05495	9.1
69.03430	4.3
69.07066	2.0
70.06598	1.0
71.01350	1.1
71.04997	1.2
71.61075	0.7
73.02914	5.1
73.99904	0.5
77.58369	0.6
79.05488	4.2
81.03419	2.5
81.07064	5.3
83.04987	0.6
83.08610	1.4
85.02900	8.4
87.04452	0.7
91.03947	4.1
91.05479	2.1
93.07068	3.4
95.04967	1.3
95.08601	3.2
97.02901	8.9
99.04459	0.6
101.02381	2.1
104.29772	0.5
105.07053	2.1
107.08627	1.8
109.02886	1.5
109.10149	5.6
111.08067	0.7
115.03941	0.7
117.06985	0.7
119.08605	1.7
121.10166	1.0
121.57821	0.5
123.08186	0.5
127.03896	2.8
131.08578	0.7
133.10155	1.2
142.32634	0.5
145.04944	0.7
145.10155	0.7
149.01437	0.6
159.11685	0.8
173.11765	1.3
185.04192	1.1
195.10020	1.0
203.05347	0.9
229.14359	0.8
243.08482	1.8
275.20074	1.0
287.05423	1.0
291.19516	0.6
324.95609	0.5
335.25919	0.7
337.17764	0.6
347.09525	2.8
365.10767	0.7
405.13721	6.0
413.17844	6.3
424.89490	0.6
426.38089	0.7
449.98190	0.6
519.29315	5.9
575.23016	4.2
627.47351	0.8
681.34406	8.0
691.40625	1.3
853.45514	100.0
854.45819	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	852.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05171	1.1
67.05499	15.7
69.03432	8.0
69.07065	17.6
71.04966	1.1
71.61147	1.1
72.74284	0.8
79.05489	15.2
81.03403	3.8
81.06631	1.4
81.07053	15.2
81.42700	1.1
83.04979	2.1
83.08614	5.3
85.02878	1.0
85.06531	1.7
90.15633	1.0
91.05479	11.1
93.07033	13.4
95.04987	5.2
95.08601	7.2
95.84995	0.9
97.02888	8.3
97.06517	2.6
97.10155	7.2
105.07018	9.4
107.04957	6.1
107.08592	7.8
109.10155	6.1
111.04426	1.7
111.08078	1.4
117.07015	5.5
119.04953	1.4
119.08566	7.7
121.06479	2.7
121.10132	3.8
123.08047	3.7
125.09612	8.8
128.06186	1.1
129.07005	2.6
131.08575	5.1
133.06487	2.4
133.10114	3.9
135.08031	3.6
135.11670	1.2
137.09557	1.5
143.08549	2.7
145.10110	4.6
147.08029	3.9
147.11679	2.4
149.13237	1.7
157.10114	2.1
159.11673	2.1
161.09621	2.6
162.10393	1.2
163.11118	1.2
165.09145	1.8
171.10211	0.9
173.13168	1.3
173.45752	1.1
175.11162	2.0
177.12759	1.3
189.11200	3.9
205.12172	1.3
207.10100	1.1
223.13290	15.6
227.12849	5.2
227.17802	1.1
245.19009	1.5
249.14857	3.0
255.17386	1.9
263.19925	1.0
267.15900	1.6
273.18488	17.1
291.19516	100.0
309.20316	1.3
347.22076	3.9
365.23215	51.7
535.32452	1.8
557.34650	2.3
575.35400	1.8
637.41077	2.9
655.42029	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	848.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	2.8
61.02924	12.3
65.03927	1.9
67.05500	94.2
69.03414	2.9
69.07067	7.5
71.04989	3.3
71.08629	0.7
71.60707	0.5
73.02912	3.4
79.05488	17.9
81.03413	1.3
81.07051	33.7
82.07381	0.9
83.04974	1.2
83.08614	9.4
85.02419	1.2
85.02902	15.7
85.06546	3.2
91.03954	9.5
91.05473	13.6
91.06005	1.1
93.07037	23.2
95.04968	2.4
95.08601	25.9
96.04471	0.5
97.02888	6.8
97.06544	0.9
97.10152	2.2
99.04436	1.1
99.08076	1.0
103.03935	0.6
105.07023	7.8
107.08584	14.2
109.06512	1.0
109.10147	81.4
110.10500	0.6
111.08079	3.5
117.07023	3.0
119.08573	11.6
121.10138	11.6
123.08076	0.9
123.11710	4.4
125.09629	1.7
127.03912	3.5
130.07803	0.6
131.08563	6.0
133.10124	4.7
135.11676	7.9
137.09601	3.6
137.13245	1.4
145.04936	3.6
145.10123	4.6
147.11719	3.7
149.13234	5.6
155.10669	4.5
159.11694	4.4
161.13235	3.7
163.05992	3.1
163.14801	2.3
173.11761	22.6
173.13242	3.7
175.14781	1.6
177.16417	1.1
183.11708	0.8
184.07269	1.3
187.14813	2.6
189.11180	1.4
201.16310	0.9
227.12767	6.6
229.14339	100.0
230.14720	1.9
233.22583	0.9
243.21107	5.4
261.22119	17.6
277.21475	0.6
299.23691	0.8
317.24823	3.2
333.24142	0.6
335.25778	61.4
336.26083	1.0
340.11475	0.6
379.29691	1.6
397.30991	2.5
415.31781	1.2
471.34705	2.0
489.35721	42.6
490.35834	1.5
507.36847	6.1
848.50818	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	845.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.3
64.54591	0.9
67.05493	6.3
69.03432	4.6
69.07051	2.7
69.34605	7.7
69.35036	2.0
70.94641	0.9
73.02911	3.9
79.05479	5.7
81.03413	2.4
81.07042	5.7
83.08600	1.1
85.02906	4.4
86.09694	1.7
91.03965	2.4
91.05486	5.5
93.07034	5.1
95.04954	1.7
95.08604	4.0
97.02892	5.0
97.06580	1.1
101.02397	1.9
105.07036	2.9
107.08599	2.9
109.10207	0.9
117.07016	1.4
119.08598	2.8
121.10158	2.4
127.03925	2.1
131.08658	1.2
133.10147	2.5
135.11658	1.2
145.10153	1.2
159.11676	0.9
184.07388	3.7
185.04277	1.1
230.03163	1.0
243.08482	4.1
333.20355	2.3
373.10965	0.9
439.19827	1.6
453.21310	1.4
465.20898	1.1
535.28442	6.3
551.27979	6.8
659.11072	1.2
845.50122	100.0
846.50159	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	848.499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	3.0
61.02924	12.3
65.03947	3.3
67.05499	100.0
68.05832	1.1
69.03423	2.4
69.07069	9.4
70.07191	2.9
71.04994	3.8
71.08644	0.9
73.02912	3.5
77.29806	0.7
79.05485	24.8
81.03408	2.1
81.07050	42.7
83.04975	1.5
83.08613	10.1
85.02896	15.3
85.06545	3.8
91.03951	10.0
91.05473	15.4
93.07034	28.2
95.04955	3.7
95.08601	32.0
96.04482	1.0
96.08896	0.9
97.02888	7.7
97.06528	2.2
97.10170	2.1
99.04484	0.8
99.08091	0.8
105.07013	8.5
107.08586	17.1
109.10148	86.1
110.10468	1.0
111.08085	4.6
115.03966	0.8
117.07005	3.5
119.08566	13.3
121.10139	14.6
123.08047	0.8
123.11691	4.2
125.09632	1.9
127.03890	2.8
127.11230	0.9
131.08546	6.8
133.10109	6.0
135.11696	7.8
137.09567	4.7
137.13251	1.5
145.04948	3.9
145.10120	6.1
147.11668	4.2
149.09561	0.8
149.13275	6.0
151.14771	0.7
152.54816	0.6
155.10625	4.5
159.11696	3.6
160.23520	0.6
161.13249	3.7
163.05978	5.2
163.14871	3.0
169.10210	0.8
171.11708	0.8
173.11766	23.6
173.13292	4.4
175.14851	1.2
177.16298	0.7
179.14339	0.7
184.07414	1.0
187.14835	2.5
189.11246	0.9
192.45541	0.6
200.74785	0.6
201.16350	1.4
225.59006	0.6
227.12733	6.1
229.14330	98.5
230.14719	1.2
233.22701	1.1
243.21039	5.6
261.22128	22.6
262.22540	0.8
263.23715	0.7
317.24707	4.1
335.25769	84.2
336.26178	2.2
357.65573	0.7
379.29913	1.7
397.30945	2.1
415.31827	1.2
430.50333	0.7
437.94907	0.7
471.34705	2.0
475.67938	0.7
489.35724	82.7
490.36273	3.7
507.36761	6.1
511.02396	0.6
812.62964	0.7
848.49835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	1.0
61.02919	5.0
67.05499	7.3
69.03419	3.5
69.07050	1.4
71.04977	1.8
72.42789	0.5
73.02908	3.8
79.05482	2.9
81.03418	4.5
81.07045	3.3
83.04952	0.9
83.08603	1.1
85.02898	5.5
86.09698	1.7
87.04457	1.2
91.03942	2.9
91.05479	3.0
93.07033	2.1
95.04959	1.8
95.08596	1.5
97.02879	4.0
97.06545	0.7
99.04433	0.8
101.02368	2.0
105.07031	1.9
107.04970	0.6
107.08594	1.1
109.02882	1.3
109.06493	0.8
109.10142	6.6
111.08072	0.9
119.08585	1.8
121.10124	1.4
125.00015	0.9
127.03918	2.6
129.06938	0.9
131.08594	1.5
133.10133	1.5
137.09627	0.6
147.11649	1.2
149.09631	1.2
157.10103	1.5
173.11772	1.7
175.11176	0.7
184.07330	3.9
185.04227	0.9
193.12265	2.1
196.41808	0.5
203.05243	0.6
225.14784	0.8
229.14391	2.0
229.27582	0.7
243.08401	2.9
267.15982	1.3
283.15198	6.3
301.08963	2.0
309.89624	0.5
315.10522	0.6
339.17758	1.5
373.10986	1.0
381.18948	1.7
385.18362	2.1
399.19666	0.8
413.17786	14.5
414.17990	1.1
427.19360	2.5
465.28278	1.1
469.20633	2.0
483.22345	0.8
493.28055	0.6
499.21378	1.2
501.23026	18.1
502.23578	1.0
511.29013	1.7
529.22449	3.7
545.21558	0.6
573.25195	2.8
601.27698	1.1
613.31921	0.7
615.29974	0.9
629.31409	1.0
638.96936	0.7
673.33984	100.0
674.34155	3.1
701.37170	4.4
729.36310	3.7
745.36346	0.8
843.43414	12.3
844.42377	0.7
874.67126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	4.1
62.23195	0.5
67.05502	5.7
69.03424	3.4
69.07069	2.4
71.04977	0.7
71.05633	1.0
71.05997	1.0
73.02923	3.5
79.05502	5.2
81.03442	2.6
81.07049	5.1
83.04996	0.7
83.08618	1.2
85.02905	3.4
85.06535	0.6
89.52338	0.5
91.03944	2.8
91.05482	5.4
93.07053	5.9
95.04986	1.6
95.08638	3.0
95.98860	0.5
97.02879	4.1
97.06518	0.6
97.10177	0.8
99.04445	0.7
101.02392	2.0
105.07020	3.8
107.08576	3.0
109.02876	1.4
109.06513	0.6
109.10143	1.6
117.07008	1.3
119.08582	2.3
121.10157	1.8
125.00011	0.7
127.03857	1.3
129.03358	0.5
131.08601	1.1
133.10156	2.2
135.11702	1.9
145.10127	1.0
147.11736	1.6
159.11708	1.0
161.13266	0.7
184.07358	1.8
185.04305	1.0
185.13350	0.6
240.29347	0.5
243.08467	4.0
301.08990	1.4
307.80566	0.6
311.25824	0.7
315.10577	1.1
333.20227	4.0
399.88702	0.5
439.19528	1.2
453.21024	0.8
465.21469	0.7
535.28766	7.7
551.28064	6.7
596.95355	0.6
623.30176	1.1
842.90668	0.6
845.50153	100.0
846.50171	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	59.5
69.03426	14.2
69.07068	32.2
71.04984	6.3
71.61346	6.4
74.46371	4.6
79.05496	64.9
81.03439	10.9
81.07055	57.0
83.04957	6.1
83.08615	16.6
87.04485	7.4
91.05477	55.8
93.07049	41.7
94.22021	5.1
95.04977	19.4
95.08624	32.3
97.02892	11.3
97.06503	6.2
97.10179	18.0
99.08108	5.1
104.88302	4.6
105.07031	51.8
107.04951	6.3
107.08600	28.2
109.06519	5.8
109.10172	21.4
117.07012	24.6
119.08574	44.1
121.10150	16.6
125.09631	18.3
129.07019	12.0
131.08560	26.2
133.06511	8.8
133.10138	30.2
135.08055	8.6
143.08546	13.4
145.10150	22.2
147.11659	24.5
149.13281	7.5
151.11116	5.6
157.10136	7.6
159.11745	16.6
161.13246	14.7
169.10097	7.1
171.11670	5.9
173.78423	4.6
175.14719	5.7
183.11713	6.2
185.13286	8.7
186.81335	4.5
187.14769	6.4
189.11200	10.8
199.14832	7.7
213.16315	5.6
223.13252	18.4
227.12770	9.9
241.19519	18.7
259.20554	37.1
273.18497	11.7
283.20480	5.9
291.19537	100.0
315.23187	8.3
333.24271	35.9
365.23050	33.5
379.29990	6.7
406.27670	5.8
423.67917	5.9
525.35620	9.5
543.37048	7.0
623.42847	40.4
641.43732	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	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	4.3
67.05502	78.3
69.03421	11.0
69.07065	37.8
71.04989	11.1
77.92760	4.0
79.05489	81.3
79.05950	6.3
81.03407	15.5
81.07055	100.0
83.04967	10.5
83.08625	23.0
85.02897	12.8
85.06520	5.5
91.05482	90.7
93.07039	90.4
95.04956	24.3
95.08603	59.3
97.02903	4.3
97.06540	12.2
97.10158	10.3
103.15981	4.0
105.07023	95.1
107.04964	10.1
107.08571	48.0
109.06493	10.4
109.10167	24.2
111.08094	6.0
115.05448	5.3
116.63435	4.0
117.07015	45.4
119.08572	62.4
121.10151	37.0
123.08080	5.4
123.11736	7.0
125.09615	9.0
126.84872	5.1
126.99487	4.0
128.06189	8.7
129.06990	18.3
131.08565	44.8
133.10124	58.2
135.08047	9.9
135.11684	27.8
143.08572	23.6
143.81232	4.3
145.10107	36.3
147.08011	5.8
147.11668	36.7
149.09641	11.8
149.13261	13.3
155.08600	8.5
157.10095	24.3
159.11673	30.7
161.13255	17.6
167.08557	5.4
169.10167	16.5
171.11723	16.0
173.13252	17.2
175.14844	6.9
181.10051	6.7
183.11713	15.2
184.07326	7.6
185.13231	10.1
187.11205	5.6
189.12735	5.8
193.12109	4.3
195.11728	4.7
197.13240	9.6
199.14738	8.9
209.13269	5.5
211.14789	4.8
221.13304	5.4
225.16208	6.6
229.50789	5.4
231.20868	6.2
239.17902	6.8
241.19518	12.2
255.15973	14.4
259.20566	41.1
269.17444	12.4
273.18524	5.6
275.20056	18.4
315.23145	8.8
333.24231	45.1
349.23764	13.2
381.24316	5.0
406.77591	5.5
432.61633	4.7
435.32669	7.3
453.33682	5.9
513.36017	23.5
515.37769	4.8
527.37384	40.1
545.37860	5.8
607.43420	31.6
625.44293	17.8
643.45172	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	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64568	5.7
67.05499	88.0
69.03429	7.2
69.07060	32.7
70.78405	16.2
79.05489	78.5
81.03419	11.7
81.07052	87.3
83.04980	10.2
83.08611	20.3
85.02912	7.3
85.06556	8.4
87.04453	8.8
91.03909	6.3
91.05482	100.0
93.07040	97.1
95.04987	14.3
95.08610	55.2
97.02860	7.9
97.06551	8.7
97.10174	8.2
105.07030	74.3
107.04951	10.8
107.07027	6.6
107.08583	48.8
109.06532	9.8
109.10146	19.7
115.05434	5.7
117.07012	34.1
119.08572	60.7
121.10152	24.2
123.08089	6.4
125.09570	6.8
129.06981	16.2
131.08543	35.8
133.10118	53.9
135.08101	7.8
135.11710	34.4
141.06963	8.2
143.08557	22.3
145.10110	31.9
147.11652	32.9
149.09581	8.8
149.13219	14.2
155.08583	7.1
157.10115	18.3
159.11652	32.2
161.13257	15.2
161.74216	6.2
163.11194	9.5
169.10210	8.2
171.11662	18.4
173.13321	14.7
183.11732	9.4
185.13246	8.2
187.14890	8.2
195.13791	7.9
199.14771	5.8
241.19547	14.0
255.15907	17.0
259.20599	29.1
267.15982	6.8
269.17511	21.8
275.20016	14.8
291.19391	7.7
298.35199	6.2
315.23083	5.8
333.24332	31.6
335.25818	8.7
349.23807	8.6
360.03726	7.2
433.79456	7.2
435.32413	12.2
513.35474	13.6
527.37378	51.8
607.43579	14.8
625.44287	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	838.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	3.8
61.02915	1.2
65.03925	2.7
67.05499	81.7
69.03418	5.6
69.07063	18.3
69.49870	7.5
71.01344	2.2
71.04987	6.3
72.70813	0.9
73.02913	1.9
79.05483	35.9
81.03409	100.0
81.07050	35.1
83.04969	13.4
83.08611	27.8
83.09105	1.9
85.02897	9.8
85.06516	4.1
87.04446	3.1
91.05471	32.8
93.07034	21.5
95.04955	34.3
95.08036	1.5
95.08605	16.1
96.08935	0.9
97.02890	6.7
97.06506	6.6
97.10162	16.9
97.69858	0.9
99.04436	1.6
99.08064	1.4
102.51741	1.0
105.06367	1.6
105.07014	17.0
107.04948	17.0
107.08583	18.3
109.02869	2.0
109.06508	9.3
109.10147	54.1
111.04441	5.6
111.08072	9.4
112.33059	0.8
115.05462	2.3
116.04691	1.1
117.07016	6.6
119.04915	1.8
119.08572	25.4
121.06492	9.1
121.10142	10.4
123.04420	3.8
123.08028	5.4
123.11670	1.1
125.06018	1.2
125.09611	13.3
129.05463	2.2
129.06993	14.0
130.07727	1.2
131.04909	1.4
131.08566	12.8
133.06505	4.7
133.10147	8.5
135.04448	1.3
135.08058	3.2
135.11667	5.3
137.09642	5.4
139.11130	1.2
142.07736	2.6
143.08572	2.0
143.10706	1.1
145.06477	3.1
145.10097	7.9
147.04393	5.5
147.08034	7.3
147.11656	9.1
149.05904	1.4
149.09584	8.4
153.09138	1.8
153.12700	6.2
155.08508	2.0
155.10670	2.5
157.08731	1.3
157.10097	13.1
159.08054	1.2
159.11664	1.7
161.09599	3.1
163.11172	11.7
165.12756	2.0
169.10110	1.2
171.11742	1.3
173.09616	3.3
173.11723	14.5
173.13167	2.2
175.11156	11.2
175.14767	0.9
177.12642	1.3
181.12221	5.6
184.07324	1.3
185.09700	1.1
185.11642	1.1
185.13223	1.7
187.11119	1.3
189.09135	1.2
189.11192	5.9
189.12767	1.4
191.10666	5.2
191.14291	1.6
193.12221	33.4
195.11650	1.8
199.13249	4.7
201.12796	2.2
203.10675	1.4
203.12616	1.2
203.14378	1.9
205.12163	2.6
207.13841	2.3
209.11743	6.8
211.13248	8.1
213.12721	1.4
217.12279	1.7
217.14284	2.9
219.13757	6.2
221.15375	1.1
223.13188	1.9
227.12752	15.9
229.12245	1.9
229.14311	42.9
231.13792	2.6
232.14532	1.1
235.13292	3.1
241.12138	1.0
247.13358	3.4
249.14868	6.5
259.13275	5.5
261.18314	1.3
267.15887	89.0
268.16174	1.0
271.16989	1.1
273.14819	2.0
273.18521	3.0
283.15311	10.3
289.17911	1.6
293.17365	1.6
301.16547	9.1
309.16946	1.2
321.17163	1.4
329.21014	1.7
337.21231	0.9
347.22083	1.9
351.17957	1.5
355.22595	2.6
363.21576	1.5
365.21143	2.8
367.22787	3.2
373.23679	2.0
383.22089	6.2
385.23825	5.2
391.24667	1.6
399.23709	12.3
401.23093	7.8
403.24789	3.1
409.25809	1.8
419.24155	2.1
421.25806	20.0
421.31259	2.0
441.26419	1.4
447.27505	1.6
457.25827	2.7
458.26578	12.8
459.27475	4.4
475.26813	12.1
476.27588	15.4
477.28268	2.9
493.27844	10.2
499.58618	0.9
511.28766	3.4
518.32355	5.4
533.93524	1.0
545.34595	1.5
582.78949	1.1
591.35352	11.0
721.07190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80797	0.5
68.05008	1.5
69.43002	1.2
69.43408	5.3
70.06587	67.3
71.04964	2.6
71.06916	0.6
72.08129	1.2
73.80363	0.7
74.69999	0.6
74.82430	0.5
75.05200	1.0
75.05597	11.5
76.04005	0.6
81.03402	1.5
83.06083	2.2
84.04500	31.1
84.08128	1.5
85.02898	1.7
85.07658	2.0
86.06034	0.7
86.09684	1.2
91.05471	9.2
95.04974	1.0
95.06099	4.1
95.69508	0.5
96.04490	2.0
97.02914	1.2
97.07635	2.1
98.06052	1.0
98.20716	0.8
101.07131	14.1
101.82324	0.8
102.05524	3.9
103.05450	2.6
105.03366	2.5
105.07034	0.7
107.04939	1.4
108.15591	0.6
109.06490	0.7
110.07174	1.1
112.08720	22.5
113.07111	5.1
114.10329	0.8
115.08685	10.4
119.04919	7.6
120.08098	33.2
124.03958	2.3
124.08707	1.5
125.07153	0.6
127.03917	0.7
128.23686	0.6
129.06587	5.5
129.10213	1.1
130.04988	1.3
130.06508	1.0
132.08086	2.6
136.07570	86.1
136.67633	0.5
137.06026	0.6
137.07961	1.3
140.08188	2.6
141.06535	4.3
146.06033	1.1
147.04395	4.5
148.07584	4.2
148.08612	0.9
151.05049	1.0
152.03410	3.3
152.08165	2.0
157.10899	0.9
158.09338	1.1
165.62984	0.7
167.08192	1.9
169.06094	8.1
176.07028	0.8
177.10258	2.2
181.09717	1.8
186.08713	5.5
187.07187	2.5
188.10696	1.0
193.09708	16.5
195.07695	1.8
203.08192	1.8
205.09753	2.9
206.09222	0.6
212.10284	1.2
213.08714	2.4
215.08275	1.1
216.14963	1.4
217.13319	1.7
221.09180	3.8
222.12363	1.2
223.07211	1.2
227.11722	1.3
232.10828	0.6
238.12059	1.2
240.09799	1.5
241.08176	4.0
242.12839	3.5
243.11211	1.1
244.14476	3.6
252.10004	1.0
253.08128	0.8
258.10690	0.8
259.15527	14.9
261.12341	1.1
270.12463	0.8
271.15503	0.8
275.80356	0.7
278.15112	0.9
280.09280	1.5
281.07733	1.8
285.12314	0.9
287.15054	2.4
288.13480	0.6
297.12021	1.5
298.10165	3.4
299.76846	0.6
303.14493	5.1
304.12985	1.5
316.13013	0.9
316.17798	1.0
317.16190	0.7
323.13718	0.7
338.09897	1.3
344.17047	0.9
355.12567	0.9
360.16852	1.9
361.19882	1.4
381.03226	0.8
402.98468	0.7
417.18188	1.1
443.85596	0.7
444.23822	1.4
471.20065	1.0
490.19055	0.9
573.27716	1.4
804.32477	0.7
820.36792	0.8
821.35675	2.1
838.38336	100.0
839.38580	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	830.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17465	1.0
59.04985	5.0
61.02926	6.7
65.03938	2.2
67.05499	82.8
69.03400	3.5
69.07057	5.0
70.06582	6.4
71.04981	2.8
72.08144	2.3
73.02905	2.4
75.36695	1.2
79.05487	11.8
81.03411	59.2
81.07047	19.5
83.04979	3.7
83.08614	18.8
84.04501	1.7
84.08106	2.5
85.02905	10.3
85.06543	3.2
86.09700	3.3
91.03960	6.0
91.05473	15.0
93.07034	11.1
95.04959	19.0
95.08587	8.7
97.02890	6.9
97.06510	3.8
97.10149	3.4
99.04448	1.3
99.08099	1.4
105.07024	9.6
107.04957	4.5
107.08604	5.6
109.02851	1.5
109.06512	2.8
109.10150	74.8
110.10492	2.1
111.04424	2.2
111.08087	6.5
113.05951	1.6
117.06982	3.4
119.04939	1.6
119.08569	17.5
120.08083	1.6
121.06501	2.5
121.10138	4.8
123.04389	1.5
123.08089	1.3
125.09607	2.3
127.03909	2.3
129.07010	7.6
131.08588	5.7
133.06476	3.3
133.10110	5.0
137.05962	2.3
137.09575	4.8
145.04974	1.7
145.10112	3.6
147.04439	2.0
147.08032	2.5
147.11699	5.8
149.09601	3.3
151.44765	1.5
155.08585	1.8
155.10611	4.6
157.06456	1.2
157.10104	8.0
163.03891	1.3
163.05994	2.8
163.11168	3.4
165.12761	1.3
168.56886	1.1
173.05983	1.5
173.11726	25.5
175.11171	6.7
176.11613	1.4
181.93539	1.3
193.12225	21.5
211.13293	2.4
229.14334	89.6
249.14813	1.9
267.15897	81.3
268.16248	2.0
268.34912	1.3
301.14417	1.9
329.21198	1.6
342.22473	1.3
355.15643	1.4
403.24689	9.9
421.25830	100.0
422.25815	2.0
463.26846	3.7
470.39175	1.2
487.26657	2.0
517.27747	1.9
529.27869	2.0
547.28888	4.1
830.39331	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	831.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	7.0
67.05495	7.3
69.03424	5.2
69.07081	1.1
70.67054	1.4
70.67385	1.0
71.08630	1.1
73.02910	6.6
79.64786	0.7
79.81292	0.7
81.03419	2.9
81.07052	2.2
83.04974	0.7
83.08639	1.2
85.02888	7.2
85.03262	0.6
85.10175	1.4
87.04480	0.8
91.03945	6.5
95.08588	2.1
97.02879	6.4
99.04439	1.5
101.02370	3.1
103.14692	0.6
109.02890	0.9
109.10143	6.5
113.04140	0.7
127.03910	3.4
142.80058	0.6
145.04945	0.8
148.51900	0.6
161.17921	0.7
173.11745	2.6
185.04243	1.0
201.03786	0.8
229.14536	1.5
243.08415	3.8
281.82654	0.7
313.27386	1.3
347.09329	3.6
365.10626	1.3
405.13583	6.1
413.17834	12.5
420.36395	0.8
497.30984	7.0
540.19232	0.8
575.22980	11.9
659.36011	5.8
669.42047	3.4
831.46967	100.0
832.46820	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	835.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	0.6
63.64264	0.1
65.03936	0.3
65.88015	0.1
67.01857	0.1
67.05502	3.0
68.99772	0.5
69.03426	2.4
69.07072	0.2
70.06591	1.2
71.01342	0.1
71.04978	0.4
71.60964	0.1
72.08136	0.2
73.02922	0.8
79.05482	0.5
81.03417	4.1
81.07051	1.5
83.01350	0.2
83.04980	0.1
83.08627	0.1
84.04489	0.3
84.08138	0.4
85.02902	3.8
86.09711	0.3
91.05484	0.5
93.07059	0.6
95.04974	0.8
95.08601	1.0
97.02890	2.4
97.06506	0.2
99.04454	0.9
99.08085	0.1
103.03919	0.3
103.05499	0.1
105.03413	0.3
105.07035	0.3
107.04961	0.4
107.08584	0.5
109.02875	2.6
109.06503	0.3
109.10152	5.7
110.07153	0.2
110.10474	0.1
111.00823	0.4
111.04432	0.3
111.05560	0.1
115.03928	0.3
116.51801	0.1
117.07024	0.1
119.04961	0.1
119.08578	0.4
120.08099	0.2
121.01981	0.2
121.02859	4.7
121.06480	0.1
121.10136	0.2
123.35394	0.1
125.02332	0.1
125.05996	0.3
127.03915	4.2
129.07037	0.1
129.10216	0.3
129.50128	0.1
130.04990	0.1
131.04971	0.1
133.02875	0.4
133.04965	0.2
135.04388	0.1
135.07996	0.1
136.07591	0.2
137.02347	1.0
137.09612	13.4
145.02960	0.1
145.04958	0.9
145.06084	0.1
145.06531	0.1
145.10136	0.1
147.04396	0.7
147.07588	0.2
147.11612	0.1
150.41406	0.1
151.03909	0.1
153.01817	2.3
155.10614	0.8
157.06477	0.3
157.10194	0.1
161.05946	0.1
161.07228	0.1
163.03925	0.1
165.01845	1.4
165.09108	11.3
166.09586	0.1
169.06508	0.1
171.02901	0.3
171.04343	0.2
173.06023	0.2
175.03996	0.1
177.05446	0.2
183.02895	0.6
183.10190	1.1
185.05975	0.3
187.06030	1.2
189.05429	0.1
193.02916	0.1
197.06013	0.2
199.03874	0.1
201.11151	1.3
203.07089	0.1
205.07115	0.7
213.05475	1.2
218.34561	0.1
219.06496	0.1
231.06525	0.7
241.04942	1.2
245.04399	0.2
258.05231	0.8
259.06021	0.2
259.09628	0.1
263.05701	0.1
263.12885	0.2
267.15958	0.2
269.04318	0.2
286.04703	0.3
287.05484	100.0
288.05853	2.0
291.12292	0.2
299.05435	0.5
303.05042	0.2
309.13330	1.3
311.05429	0.4
325.07047	0.3
327.14377	2.7
329.06534	1.7
345.15494	0.1
349.06961	0.1
353.06393	0.6
377.06473	0.3
395.07562	0.6
449.10364	0.2
455.09488	0.2
462.74841	0.1
473.10535	0.3
491.11624	0.3
631.19745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61645	0.8
61.02922	4.6
61.97257	0.7
65.72913	0.7
67.05502	4.9
69.03405	3.6
69.07073	2.5
70.56620	2.9
71.01334	0.8
71.16844	0.8
73.02917	3.5
79.05486	6.6
81.03415	2.8
81.07037	5.3
83.08605	1.0
85.02892	4.5
85.10160	0.9
86.09698	0.9
89.38725	0.8
90.13703	0.7
90.38808	0.7
91.03960	3.8
91.05482	6.2
93.07028	6.4
95.04964	3.5
95.08596	5.2
97.02872	4.2
97.06531	0.7
99.04460	0.7
101.02380	1.5
105.07020	4.5
107.08618	2.6
109.10158	1.3
109.15582	0.7
110.39165	0.8
117.07032	1.1
119.08589	3.1
120.99361	0.8
121.10126	1.8
127.03931	1.9
129.05421	1.0
131.08589	1.8
133.10149	3.3
135.11717	1.2
145.04927	0.9
145.10133	0.9
147.11699	2.2
159.11761	0.9
161.13237	1.0
184.07320	3.7
185.04231	1.6
193.12189	1.2
225.28342	0.9
243.08429	4.1
265.10352	0.8
301.08972	2.2
301.14572	1.0
313.27478	2.0
315.10489	1.3
355.13818	1.2
465.21051	2.5
525.22937	1.6
535.28857	14.2
607.30939	1.8
621.32343	1.1
829.50616	100.0
830.50922	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	829.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.7
65.55080	0.6
67.05499	7.5
69.03422	3.9
69.07054	1.5
69.37239	5.3
69.37661	1.6
73.02918	4.8
79.05482	4.5
81.03419	2.5
81.07053	5.7
83.04970	0.7
83.08617	0.7
85.02900	5.0
91.03961	3.1
91.05469	3.6
93.07039	4.9
95.04951	1.3
95.08601	4.6
95.61973	0.6
97.02903	4.7
99.04459	1.0
101.02361	1.4
105.07021	2.3
107.08584	2.5
109.02865	0.9
109.10142	3.3
115.03922	0.9
117.07040	0.7
119.08577	2.6
121.10146	2.0
127.03915	1.7
131.08607	1.2
133.10147	1.4
135.11656	1.0
145.10147	0.8
189.73599	0.7
243.08447	2.7
333.20300	4.0
399.22220	0.7
455.98035	0.7
519.29370	7.9
551.28003	5.2
829.50598	100.0
830.50830	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	826.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.7
61.02921	9.4
65.03926	1.0
67.05499	56.9
68.16806	0.4
69.03418	1.3
69.07058	4.7
69.48550	2.3
69.48959	0.8
71.04981	2.8
71.08626	15.3
73.02911	3.3
79.05484	0.9
79.99323	0.3
81.03411	0.5
81.07050	13.7
83.08614	9.5
85.02896	10.1
85.06539	1.7
85.10176	8.6
87.04501	0.4
89.06034	0.8
91.03955	6.8
91.05473	3.4
93.07036	1.9
95.04967	0.4
95.08598	12.2
97.02881	6.5
97.10155	1.8
99.04433	0.8
99.08038	0.5
99.11707	0.5
103.07562	0.6
107.08614	1.1
109.02887	0.4
109.10144	57.7
110.10480	0.5
111.08098	2.1
111.11701	0.6
113.13273	0.4
115.03927	0.7
119.08568	3.7
120.90619	0.4
123.11710	2.1
125.09676	0.6
127.03915	2.9
137.09595	2.6
137.13240	1.0
145.04942	3.2
155.10658	2.5
163.06000	4.2
173.11722	15.9
203.67987	0.3
229.14328	100.0
230.14706	1.4
239.23624	1.3
257.24680	1.1
261.33624	0.3
313.27332	77.8
314.27496	1.8
353.50043	0.5
373.18509	1.0
467.37302	67.2
468.37549	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	827.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24314	0.9
59.04987	2.3
61.02916	6.0
65.03922	0.9
66.46875	0.8
67.05504	7.9
69.03432	4.1
69.07059	3.3
69.30794	6.1
69.31203	2.3
70.06579	4.1
71.04993	2.9
72.08144	6.1
72.93808	0.9
73.02908	3.6
79.05487	7.6
81.03420	7.4
81.07057	6.2
81.07442	0.8
83.04986	1.2
83.08624	2.7
84.08135	1.2
85.02894	8.4
86.09713	4.6
87.04475	0.9
91.03953	2.5
91.05478	7.5
93.07042	6.4
95.04951	3.8
95.08617	3.5
97.02871	6.5
97.06522	2.5
97.10180	1.8
99.04480	2.6
101.02412	2.2
105.07029	5.5
107.04994	1.5
107.08606	3.4
109.02863	1.3
109.10172	2.6
111.04459	0.9
111.08070	1.0
117.07034	1.9
119.08575	4.3
121.06512	0.7
121.10165	4.2
123.08094	1.4
124.99976	1.5
125.09629	1.5
127.03947	2.0
129.07027	2.2
131.08591	3.5
133.10143	2.7
145.10172	0.9
147.04462	1.1
147.08009	1.0
147.11702	2.2
149.09637	2.4
157.10129	1.5
163.11278	1.3
165.09177	1.0
175.11223	2.8
181.12312	0.9
184.07321	9.6
185.04364	1.1
185.34245	0.8
193.12326	2.3
214.43153	0.8
229.14580	0.9
241.79309	0.9
243.08315	4.1
267.16183	1.2
271.06448	1.1
283.06390	1.3
283.15237	3.5
299.05811	1.0
315.10419	0.9
339.17596	1.0
349.19894	2.8
373.02957	0.8
375.66727	0.8
388.45520	0.9
501.23071	15.2
542.38733	1.0
567.27936	7.5
573.24414	1.2
587.27466	1.1
827.43866	100.0
828.43945	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	826.4938
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
61.02919	6.6
65.16457	1.9
66.07052	1.5
67.05498	16.3
69.03429	8.7
69.07061	5.6
69.27619	4.8
69.28034	12.6
70.06601	8.2
70.44664	1.7
71.04988	100.0
73.02908	3.4
79.05485	16.7
81.03391	3.5
81.07047	14.0
83.04954	1.8
83.08630	4.5
84.08149	6.5
85.02897	8.0
85.54313	1.5
86.06075	4.7
86.09704	1.6
88.04007	4.5
91.03970	2.3
91.05487	7.7
93.07055	9.3
95.04987	3.0
95.08618	6.0
96.08138	10.4
97.02907	5.5
97.06565	1.8
97.10191	4.1
98.06053	3.5
98.20704	2.7
102.05542	2.3
105.07047	4.5
107.08603	7.3
109.10165	2.8
112.07619	6.7
117.07043	1.8
119.08604	4.1
121.10161	3.3
124.07612	6.0
125.09608	4.1
127.03938	2.0
131.08525	2.5
135.11691	1.7
142.08612	7.8
145.10165	2.0
152.78389	1.7
153.09174	2.6
158.08150	8.2
170.08237	3.4
184.07307	3.3
189.11293	1.9
220.45212	1.7
227.12805	2.6
293.79999	1.7
300.48520	1.6
312.84631	1.6
335.25900	4.9
643.18262	1.7
826.49274	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	4.5
65.03938	6.6
67.05499	96.9
69.03422	7.5
69.07063	29.6
70.85965	4.1
70.86330	1.3
71.05005	6.5
73.02889	1.3
77.03888	1.3
78.04638	1.2
79.05486	76.5
80.33276	1.3
81.03410	11.4
81.07049	100.0
83.04969	11.2
83.08611	13.4
85.02885	5.4
85.06521	4.5
86.09687	4.2
91.05470	63.9
92.05768	1.5
93.07033	84.7
95.04965	14.9
95.08596	57.3
97.02872	6.1
97.06516	9.4
97.10132	8.1
99.04449	2.1
99.08079	3.8
104.10708	1.4
105.04463	1.7
105.07020	42.1
107.04945	6.3
107.08585	44.4
109.02861	2.4
109.06494	8.9
109.09441	2.5
109.10140	26.9
111.08067	5.2
113.09594	1.5
115.05511	1.6
117.07003	19.4
119.08572	33.3
121.06468	2.5
121.09303	2.1
121.10131	34.4
123.08049	4.4
123.11703	8.5
124.99966	1.5
125.09632	3.2
127.03871	2.2
128.06232	1.6
129.05487	1.9
129.06985	8.4
131.08548	27.7
133.10120	28.1
135.08026	5.5
135.11681	17.6
135.76244	1.3
137.09595	2.8
141.06946	2.2
143.08525	7.3
145.04900	1.7
145.10106	20.1
147.08047	2.1
147.11664	16.2
149.09653	8.1
149.13249	13.0
151.11171	2.4
155.08542	3.1
157.10088	7.0
159.07968	1.8
159.11678	17.7
161.13240	8.6
163.11162	4.8
163.14801	2.9
169.10068	3.2
171.11681	4.8
173.04457	3.1
173.09561	1.4
173.13193	8.9
175.14835	2.5
177.12737	3.4
183.11693	3.3
184.07304	12.8
185.13239	3.6
187.14780	3.7
189.16383	1.9
195.11639	1.3
195.13722	3.2
197.13234	2.5
199.14786	4.1
201.16415	2.2
203.14371	1.8
213.16530	1.6
217.15808	3.6
219.17465	3.7
229.14272	3.2
239.18015	4.0
243.21130	2.3
247.20575	1.5
255.15871	4.2
257.18912	9.2
259.20407	1.6
261.22150	12.8
269.17438	25.1
275.20050	25.7
283.18924	1.5
291.19568	1.7
293.20984	1.9
309.20566	9.3
317.24646	2.7
323.67014	1.4
331.22556	2.2
333.24265	1.8
335.25763	92.2
336.26227	4.0
349.23700	19.7
367.24768	4.2
489.35654	2.8
498.10632	1.3
512.29401	1.7
515.37280	8.8
529.38831	46.2
530.39026	1.9
543.40338	4.7
569.41943	19.6
609.45056	20.2
627.45721	6.0
750.29248	2.1
825.46790	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	822.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	18.0
59.04995	3.6
61.02909	3.4
61.13353	2.1
62.20833	2.3
65.03935	5.2
67.05164	3.7
67.05501	52.2
69.03411	8.9
69.07063	28.3
69.71877	2.0
70.06571	7.7
71.04967	4.3
73.02893	4.1
79.05491	51.7
80.56450	2.1
81.03415	86.0
81.07052	75.0
83.04976	15.7
83.08612	30.9
84.08144	4.2
85.02872	12.1
85.06499	2.7
86.09715	3.3
91.03931	3.1
91.04962	3.4
91.05481	49.6
93.07037	46.3
95.04964	41.4
95.08594	23.5
97.02876	7.4
97.06539	17.3
97.10143	24.2
99.04438	4.8
105.07017	34.7
107.04943	21.6
107.08584	30.2
109.02912	2.8
109.06528	15.9
109.10133	21.5
111.04440	14.2
111.08065	9.1
115.05544	2.3
117.07002	15.5
119.08570	36.2
121.06490	10.2
121.10138	20.4
123.04414	2.7
123.08035	21.6
125.05962	2.7
125.09615	23.4
128.06161	2.9
129.07016	15.5
131.08549	25.4
133.06458	6.7
133.10104	17.6
135.08058	11.0
135.11719	12.7
137.05925	3.1
137.09584	7.1
139.11244	2.6
141.06943	3.2
143.08543	9.0
145.06493	5.2
145.10132	15.0
147.08038	16.0
147.11696	13.0
149.09587	13.9
153.09171	4.7
153.12733	3.9
155.08444	4.3
157.10123	15.9
159.07991	5.2
159.11682	5.3
161.09593	10.1
163.11200	16.7
165.09140	3.2
165.12718	4.9
169.10164	4.0
171.11658	5.1
173.09712	5.5
175.11142	12.1
177.12769	3.6
181.12204	6.8
183.11699	3.7
184.07367	4.5
185.09515	3.1
185.13335	2.9
189.11246	13.9
189.12654	3.5
191.10692	4.7
193.12212	29.2
205.12122	4.4
209.11758	3.8
211.13255	6.6
217.15846	3.7
219.13762	4.4
222.61211	2.1
223.13303	4.5
227.12619	13.2
229.14311	4.7
239.59560	2.3
249.14827	3.5
267.15900	100.0
269.17355	3.6
273.18433	32.8
283.15460	2.6
289.17700	2.5
291.19537	41.3
309.20657	7.1
313.21606	3.5
329.21182	3.8
347.22025	9.4
365.23135	21.5
383.24399	15.3
403.24741	2.9
421.25821	2.6
433.25757	4.0
435.27353	3.2
437.25302	3.6
447.28082	9.4
459.27432	3.5
461.28751	4.9
463.30219	8.2
465.29791	4.6
467.19034	2.7
477.28723	3.0
483.31024	6.7
501.32263	2.9
521.32495	3.8
539.33789	20.0
557.34705	98.9
558.34314	3.1
575.35797	54.3
589.36865	2.7
822.47437	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	821.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	20.3
57.07061	1.2
58.96981	0.8
59.04982	1.0
61.02924	70.8
65.03938	2.0
67.05502	27.9
69.03425	29.0
69.07069	6.7
70.33964	3.1
71.01344	3.5
71.04981	5.0
73.02499	1.1
73.02914	20.7
75.04460	2.2
75.31460	0.7
79.05489	19.2
80.58400	0.9
81.03416	22.8
81.07054	32.1
83.01332	1.5
83.04974	4.0
83.08611	3.2
85.02901	100.0
85.06554	1.0
87.04460	3.1
91.03953	52.8
91.05475	13.5
93.07042	20.4
93.45579	0.8
95.04959	4.7
95.08603	22.9
97.02888	73.2
97.06547	1.8
97.10175	1.4
99.04450	13.5
99.08079	1.2
101.02374	4.9
103.03934	9.5
103.05449	0.7
105.04499	0.7
105.07015	9.9
107.04980	1.3
107.08585	12.6
107.58044	0.7
109.02875	12.7
109.06532	2.7
109.10155	10.6
111.04430	3.7
115.03906	6.2
117.05509	2.2
117.06999	4.3
117.78107	0.8
119.08580	9.8
119.28457	0.7
121.10124	10.4
123.04408	1.1
123.08071	1.3
123.11704	5.1
125.09592	1.0
127.03906	36.7
129.05431	3.9
129.07010	2.1
131.08556	7.4
133.10109	9.1
135.08054	1.3
135.11681	8.6
137.05948	0.9
137.09589	1.5
137.13187	1.1
141.05513	1.2
143.08635	2.6
145.04953	27.7
145.10101	7.6
145.59120	0.8
147.08040	0.9
147.11696	5.4
149.13269	5.7
155.08632	0.8
157.10135	2.0
159.06544	3.1
159.11696	5.6
161.09579	0.9
161.13208	4.8
163.06010	18.1
163.11343	0.9
163.14835	2.0
165.12811	1.2
169.04901	0.8
169.10086	1.8
171.06660	0.9
171.08141	0.7
171.11717	2.8
173.13254	4.6
175.14845	2.1
177.12752	0.8
179.14304	0.8
183.06535	10.2
185.13284	1.7
187.14850	2.4
197.13309	1.6
199.14780	1.6
201.07597	5.6
201.16380	1.0
209.11633	0.9
211.14944	1.4
229.14262	0.8
233.18797	0.9
233.22798	1.2
241.19670	1.4
243.21115	5.1
259.20682	2.6
261.22137	17.1
271.20554	0.9
273.22198	1.1
277.21695	2.1
279.23260	1.2
285.22238	2.1
301.21564	1.2
303.23270	2.3
313.21658	0.9
315.23264	2.1
317.24814	1.0
327.23340	1.9
335.25787	48.4
336.26276	1.2
341.24771	2.1
345.24152	1.1
351.23346	1.2
353.26953	1.5
363.25421	3.0
369.24246	3.7
377.27011	2.9
387.25516	2.4
389.26779	1.6
419.27917	1.7
443.27872	5.2
461.29135	3.6
479.30148	8.1
480.52930	0.9
491.47025	1.0
497.31094	3.0
622.09222	0.8
764.15289	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	811.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.2
59.05004	0.7
61.02921	5.0
64.38268	0.4
65.03934	0.5
67.05495	5.4
69.03423	3.6
69.07061	3.4
70.66644	1.4
71.04980	1.4
72.93770	0.8
73.02915	3.1
79.05481	5.5
81.03414	4.2
81.07046	5.5
83.04989	1.3
83.08627	1.5
85.02901	5.2
85.06527	0.5
86.09710	1.1
87.04480	0.9
91.03951	2.3
91.05473	4.6
93.07045	4.5
94.66321	0.4
95.04958	1.9
95.08586	2.0
97.02877	4.8
97.06537	1.7
97.10166	0.8
99.04465	0.8
101.02384	1.8
103.03955	0.8
105.07020	3.2
107.04943	0.8
107.08604	3.0
109.02826	0.5
109.06543	1.1
109.10152	1.3
111.08135	0.6
117.07002	0.5
119.08591	1.8
121.10153	1.9
123.11745	0.5
125.00011	0.4
125.09660	0.7
127.03939	1.2
129.07024	1.4
131.08580	1.3
133.10139	1.9
135.11679	0.7
145.10124	1.2
147.11691	1.4
149.09650	1.7
157.10165	1.1
159.11757	0.5
163.11174	0.5
165.12575	0.4
171.11761	0.5
173.11732	0.4
175.11240	1.2
184.07330	4.0
185.04207	1.0
193.12111	1.9
199.16026	0.4
204.27896	0.4
225.14938	0.5
243.08360	4.0
248.48384	0.4
265.05185	0.7
267.06729	0.6
267.15958	0.9
269.12708	0.4
283.06259	2.3
283.15149	3.7
285.07767	0.8
301.07333	0.8
306.07770	0.7
333.20349	2.0
339.17911	1.1
389.23245	0.7
414.89371	0.4
439.19424	0.8
441.20892	0.5
453.20807	0.8
469.19705	0.9
485.40955	0.4
489.99399	0.4
490.06955	0.5
501.23041	13.5
502.23422	0.4
551.28339	7.4
552.28387	0.6
626.57831	0.5
641.31439	1.1
702.25183	0.5
732.24823	0.4
811.44427	100.0
812.44775	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	813.4898
Annotation	Glabrin C
Peak:m/z	Relative Intensity
69.92153	6.5
69.92567	6.4
79.85966	2.2
111.07931	4.5
151.09834	8.4
202.23445	2.2
266.50885	2.3
276.92395	2.4
381.69611	2.2
432.37689	2.4
517.30487	2.4
535.27057	2.7
813.49139	100.0
814.48975	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	808.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.9
57.03424	4.3
59.04995	2.2
60.04516	1.2
61.02922	8.3
65.03948	0.8
65.11301	0.8
67.05502	12.0
67.05833	1.3
68.05037	1.8
68.76559	0.7
69.03426	10.0
69.05791	1.2
69.07064	4.5
69.59988	6.3
70.02941	0.8
70.06588	21.3
70.06949	1.6
70.07333	0.7
71.01355	0.9
71.04987	100.0
71.14647	0.8
72.04462	0.8
72.08151	2.9
73.02919	4.3
79.05485	14.2
79.05895	1.1
80.05000	1.7
81.03409	19.7
81.03841	1.2
81.07046	10.7
82.06580	1.5
83.04982	3.6
83.08614	8.3
84.04510	1.6
84.08138	10.1
85.02895	8.9
85.06551	1.7
86.06060	8.7
86.09697	5.3
87.04475	2.6
88.03981	3.9
91.03958	2.8
91.05470	12.9
93.07039	11.2
94.06558	1.7
95.04961	6.4
95.08624	3.0
96.08127	14.9
97.02877	9.0
97.06503	5.2
97.10174	8.5
98.06038	5.3
98.97594	1.0
99.04436	1.4
101.02402	1.6
102.05527	0.8
103.05448	0.9
105.07011	6.8
105.07543	0.7
106.06557	2.7
107.04965	3.3
107.08572	7.1
109.02859	1.9
109.06528	4.1
109.10177	4.4
110.09682	1.0
111.04468	0.9
111.08109	2.9
112.07594	5.2
114.05446	0.9
114.09138	1.0
115.05488	1.4
116.07112	1.3
117.07015	1.9
119.08555	6.3
120.08105	3.8
121.06517	1.0
121.10123	4.4
122.06050	1.4
123.08121	1.6
124.07582	13.9
124.08350	1.1
125.09615	7.6
127.03953	1.7
129.07024	3.7
129.10252	1.7
131.08591	4.6
133.06526	1.1
133.10130	4.0
134.97527	0.8
135.04401	0.8
135.08087	2.7
136.06184	2.0
136.07578	1.4
137.06024	2.4
137.09618	1.3
138.09160	1.0
141.07857	1.4
142.08624	11.5
143.08592	1.0
145.06453	0.9
145.10123	1.6
147.08075	0.8
147.11711	3.3
148.07596	2.0
149.09596	4.2
152.05676	4.3
152.06941	0.9
153.09148	2.4
157.10197	2.1
158.08138	9.4
163.03961	2.3
163.11229	2.0
170.08092	5.0
175.11172	1.3
185.44290	0.8
189.11249	4.0
193.12206	6.2
197.15381	1.0
225.14896	1.1
227.12761	6.1
248.16521	1.6
259.09555	0.8
267.15894	8.8
285.10193	2.1
285.17035	0.9
295.05142	0.8
309.76718	0.8
337.11719	1.1
370.20239	0.8
437.25427	2.2
450.20822	0.8
475.27087	0.9
578.33105	1.5
596.34198	2.5
614.27112	1.9
646.36139	1.2
758.39612	8.8
790.42078	7.5
808.43188	70.5
809.43396	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	809.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.6
57.03418	2.6
59.04980	0.7
61.02927	5.4
61.97393	0.5
67.05500	6.5
69.03427	4.0
69.07062	4.1
70.06583	1.0
71.04987	2.1
71.60443	0.5
71.60796	0.6
73.02918	3.3
79.05478	5.0
81.03416	6.7
81.07044	6.1
83.04985	2.0
83.08626	2.2
84.37531	0.5
85.02897	5.4
86.09707	0.8
87.04475	0.9
91.03938	2.8
91.05482	6.3
93.07042	4.8
95.04958	3.2
95.08605	2.9
97.02883	5.5
97.06528	1.3
97.10203	1.7
99.04446	0.8
101.02396	1.7
103.03944	0.7
105.07032	4.2
107.04961	1.3
107.08588	3.4
109.02873	1.5
109.06505	0.7
109.10175	1.8
111.04398	0.7
111.08113	1.2
117.07032	0.9
119.08581	3.1
121.06514	1.1
121.10156	2.1
123.08077	0.9
125.09618	1.2
127.03910	1.1
129.05495	0.6
129.07007	1.6
131.08525	2.7
133.06325	0.6
133.10109	3.0
135.08012	0.8
145.10164	1.3
145.20915	0.5
147.08087	0.6
147.11748	2.2
149.09636	2.7
151.11237	0.6
157.10138	1.5
163.11142	0.9
175.11171	1.1
184.07404	1.8
185.04333	0.6
193.12279	1.9
211.13327	0.9
223.13391	1.6
226.03418	0.6
229.14320	0.5
243.08401	4.0
267.15955	1.9
268.16409	0.8
272.78073	0.5
277.21857	0.6
283.15115	3.4
285.10211	1.1
291.19647	1.5
324.11719	1.1
324.88101	0.6
331.18912	1.8
331.85431	0.7
336.21707	0.6
339.18045	1.0
351.18341	0.8
357.16147	0.8
386.13492	0.6
441.21109	0.7
471.22559	1.2
501.23022	14.6
513.18878	0.6
549.26666	7.1
562.38831	1.2
639.30035	2.5
705.38135	0.7
771.07098	0.6
793.41931	0.8
809.42859	100.0
810.43304	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	806.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	17.7
57.07056	2.7
59.04987	1.9
65.03932	3.7
67.05499	71.4
67.87865	1.8
69.03415	12.1
69.06715	2.6
69.07065	28.2
71.04976	9.4
72.51617	1.8
79.05057	4.3
79.05486	60.2
81.03413	100.0
81.07055	64.0
83.04987	12.6
83.08135	2.8
83.08613	34.1
85.02872	6.6
85.06509	6.2
91.05473	56.1
93.07037	54.0
93.07613	3.8
95.04964	43.6
95.08611	32.1
97.02863	7.4
97.06534	13.7
97.10171	25.9
99.08094	3.7
103.05441	2.3
105.06315	1.5
105.07021	46.6
107.04953	15.1
107.08584	47.1
109.02903	2.6
109.06505	12.4
109.10150	18.5
111.08070	14.1
113.09631	2.8
115.03592	2.6
115.05424	5.0
117.07011	17.1
119.08570	36.5
121.06507	10.8
121.10130	23.8
123.04401	3.2
123.08047	8.1
123.11713	5.5
125.09608	19.0
128.06203	3.9
129.06979	19.4
130.07758	2.2
131.08556	29.3
133.06479	5.0
133.10124	28.6
135.08041	5.9
135.11664	13.6
137.09608	5.2
141.06996	5.8
142.07797	4.2
143.08551	6.7
145.06499	5.0
145.10091	19.7
147.08023	9.0
147.11678	20.9
149.09627	19.0
149.13324	4.6
151.11220	4.4
153.09077	2.2
155.08591	4.5
157.10086	20.8
159.08012	2.9
159.11594	10.3
160.51587	2.0
161.09561	2.7
161.13245	4.7
162.43028	2.1
163.11108	9.8
165.12746	4.4
169.10106	4.4
171.11650	7.9
173.09642	2.9
173.13234	3.8
175.11150	11.9
177.12737	6.4
181.10089	2.3
183.11682	5.6
184.07349	4.4
185.13251	4.5
189.11192	8.8
193.12230	28.0
195.11676	3.1
195.13660	2.3
197.13283	3.9
199.14946	2.6
203.14413	3.0
209.11696	2.6
211.13220	5.0
219.13786	2.5
227.12703	17.4
229.14371	6.3
239.17966	3.8
249.14799	2.6
251.16293	2.3
253.14407	3.2
255.15868	9.3
257.18939	7.4
267.15906	81.3
269.17462	14.8
273.18448	3.1
275.19995	28.0
283.15210	3.1
291.19501	5.2
293.21133	6.5
299.19882	2.2
317.21072	2.5
331.22903	3.0
349.23724	24.9
367.24832	2.2
369.24271	3.3
387.25037	2.5
421.25485	4.0
431.29330	3.5
437.24924	4.5
443.27896	8.6
447.27341	27.1
449.30276	4.7
459.27234	3.9
461.28976	59.2
462.29099	2.5
467.31247	3.5
493.31766	11.6
523.34082	3.6
541.35236	66.2
542.35864	4.1
558.02972	2.1
559.36169	21.8
591.38403	3.4
715.01941	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	806.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05836	3.4
57.03438	27.5
57.07076	4.1
59.04983	9.0
61.02911	4.0
65.03942	3.0
67.05498	100.0
68.05835	3.6
69.03424	14.3
69.06718	2.7
69.07062	34.6
69.49866	21.0
71.04993	15.3
71.08627	13.3
73.02908	3.5
79.05486	75.8
81.03412	94.8
81.07050	77.2
82.03751	4.1
82.19000	2.2
83.04977	17.8
83.08608	37.3
85.02894	14.2
85.06559	5.7
87.04444	7.9
87.93207	2.4
91.03928	2.9
91.05474	72.1
92.05763	2.7
93.07041	65.5
94.07346	2.7
95.04963	41.9
95.08608	40.8
96.08896	2.5
97.02873	9.8
97.06533	12.6
97.10175	15.1
99.08070	11.7
105.07021	54.9
107.04934	16.8
107.08588	39.7
109.06490	14.3
109.10148	49.0
110.10504	2.6
111.04420	4.5
111.08054	16.0
111.71530	2.3
115.05440	3.3
117.07000	24.4
119.07785	4.1
119.08566	47.5
120.08923	3.0
121.06485	13.7
121.10146	25.8
123.04399	3.3
123.08058	8.7
123.11665	5.7
125.09616	12.6
128.89957	2.4
129.05469	3.0
129.06995	16.9
131.08568	34.2
133.06480	8.1
133.10109	35.4
134.10422	3.1
135.08057	8.8
135.11665	13.6
137.09575	7.9
141.06999	3.5
142.07764	4.6
143.08578	11.4
145.06464	3.0
145.10098	22.4
147.08029	8.2
147.11687	22.8
149.09612	14.9
149.13231	8.5
151.11131	6.6
153.12755	2.5
155.08530	7.6
157.10114	21.6
159.11688	11.5
161.09570	2.9
161.13202	3.7
163.11183	13.4
165.09004	3.0
165.12761	4.4
165.48026	2.2
167.10728	2.8
169.10081	4.7
171.11662	9.6
173.09634	5.4
173.11728	13.6
173.13188	5.4
175.11160	14.7
175.14789	2.8
177.12747	5.1
179.10550	2.6
181.10010	3.5
183.11661	5.7
185.13251	3.9
187.11263	3.3
189.11212	9.2
189.12729	4.1
191.10657	4.2
191.14285	2.7
193.12212	37.9
195.11650	5.0
195.13747	2.3
197.13251	4.8
199.13214	4.2
199.14940	2.6
203.14314	3.8
209.11691	3.2
211.13213	21.8
219.13812	4.4
227.12766	18.6
229.14323	27.1
249.14737	4.0
253.14340	6.9
259.20663	11.0
267.15903	96.3
268.16290	4.0
269.17267	5.9
273.18314	2.9
275.20038	16.4
283.15320	9.1
284.15717	3.3
285.16885	13.8
293.21103	79.6
301.16403	5.7
313.21368	3.2
315.23184	5.2
327.09277	2.4
333.24249	5.5
349.23734	6.8
351.22620	3.0
367.24777	34.8
385.23584	3.6
387.25208	2.9
421.25748	4.2
435.27014	3.2
438.25787	3.1
439.26877	15.2
445.25568	5.2
459.27188	8.5
461.28796	10.6
463.26611	2.6
477.28323	6.9
511.28964	3.8
525.35565	9.7
541.35089	14.7
543.36658	24.2
559.36273	78.2
609.36005	9.8
725.14447	2.8
761.09821	3.1
807.40405	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	804.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81063	1.0
57.03431	10.2
59.54995	0.8
60.73632	0.8
63.93250	1.0
65.03929	1.9
67.05497	29.6
69.03432	7.9
69.06714	1.6
69.07065	20.1
70.34064	3.7
71.04977	3.6
79.05489	27.7
81.03413	60.0
81.07050	26.4
83.04965	6.9
83.08614	19.1
85.02897	4.0
85.06511	2.8
89.05547	0.8
91.05476	26.3
93.07043	22.2
95.04961	23.9
95.08599	10.0
97.02895	9.2
97.06517	4.0
97.10168	12.5
99.04445	1.0
105.07027	20.9
107.04946	9.5
107.08598	14.0
109.02842	1.2
109.06515	5.9
109.10158	10.0
111.04421	2.0
111.08075	4.9
115.05415	1.4
117.06993	8.3
119.04922	1.7
119.08569	19.3
121.06472	5.3
121.10124	8.2
123.08076	4.8
123.11690	1.5
125.09618	9.4
129.06999	9.4
131.08560	10.8
133.06477	4.7
133.10123	11.1
135.08025	4.5
135.11679	3.4
137.09641	2.1
142.07779	2.1
143.08560	2.5
145.06578	1.4
145.10107	7.2
147.08040	7.1
147.11674	7.5
149.09631	6.0
149.13248	2.4
151.11177	2.1
153.09041	1.6
155.08562	1.0
157.10104	9.0
159.08032	1.3
159.11661	2.7
161.09631	2.8
161.13246	1.1
163.11185	4.9
165.09056	1.5
171.08081	0.8
171.10219	1.2
171.11700	1.8
175.11162	7.3
177.12700	1.5
181.12192	1.3
184.07295	1.9
189.11243	5.0
189.12755	1.0
191.10811	1.3
193.12241	14.8
195.13760	1.6
199.13326	1.2
205.12231	1.9
209.11653	1.0
211.13246	1.7
219.13812	3.6
223.13272	15.2
227.12756	8.5
229.14333	2.5
245.19002	1.2
249.14903	3.7
253.14363	2.7
267.15897	76.1
273.18466	9.4
283.15472	5.7
285.17007	1.3
291.19519	75.0
292.19806	1.5
309.16824	0.9
313.21695	1.9
347.22119	2.2
365.23218	48.3
367.22876	1.1
389.23148	1.0
437.25269	2.7
445.25909	5.6
459.27386	6.5
463.26706	2.9
465.29803	1.2
477.28516	3.5
483.30646	1.4
527.37262	1.4
539.33765	5.9
557.34692	100.0
558.34961	3.1
575.35748	2.6
607.35229	1.3
702.41925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	25.9
61.02924	6.7
65.03932	4.7
67.05499	97.2
69.03416	8.0
69.07063	23.2
71.04996	9.5
71.60705	4.6
71.61124	6.8
73.02921	4.5
79.05493	68.9
81.03418	18.9
81.07050	62.3
83.04948	9.4
83.08626	13.8
85.02902	7.1
85.06539	15.2
91.03931	5.2
91.05471	66.5
91.06006	5.7
93.07033	61.1
95.04970	59.5
95.08595	47.0
97.02867	8.1
97.06532	12.8
97.10175	6.0
103.05487	4.1
105.07026	60.9
107.04944	22.8
107.08573	42.8
109.06498	52.4
109.10168	16.5
111.08078	7.3
113.05988	35.2
117.07002	37.8
119.08575	50.0
121.06492	11.7
121.10175	18.6
123.08064	14.2
127.03925	5.9
128.06244	4.6
129.06990	22.2
131.08557	50.7
133.06464	3.6
133.10139	37.9
135.08044	38.2
135.11688	15.5
141.06960	10.7
143.08540	21.4
145.06506	7.0
145.10104	32.6
147.08043	6.6
147.11662	17.1
149.09576	8.4
149.13335	8.6
151.11180	6.4
155.08548	5.5
157.10123	17.1
159.08118	6.4
159.11667	28.7
161.09610	9.1
161.13245	13.3
163.11206	7.0
169.10135	10.1
171.11674	15.6
173.13287	13.1
175.11188	7.5
175.14833	8.4
177.12694	8.6
181.10135	4.9
183.11703	10.9
185.13174	7.9
187.11221	9.9
187.14743	5.3
189.12773	4.2
189.16449	4.0
195.11949	4.4
195.13747	4.0
197.13246	6.7
199.14873	9.3
201.16309	4.7
217.15891	9.7
233.15219	3.8
241.14516	4.6
241.19464	5.2
255.17683	4.0
257.18973	6.5
259.20618	13.4
273.18488	24.9
275.20032	10.1
279.15836	31.0
291.19516	64.8
299.19888	4.0
327.26926	5.3
333.24194	30.7
347.22186	6.6
365.23279	10.2
448.87308	4.0
531.38104	4.8
543.36627	5.5
583.39514	5.1
605.41602	12.2
623.42963	100.0
641.44440	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	795.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.5
59.05000	0.8
61.02922	5.1
67.05499	5.4
68.76744	0.5
69.03431	3.2
69.07062	1.8
69.32442	5.5
70.06584	1.3
71.04976	1.3
71.97892	0.5
73.02917	3.8
73.96288	0.4
76.18909	0.5
78.92393	0.5
79.05492	5.6
79.59667	0.5
81.03442	3.5
81.07052	5.4
83.05013	0.7
83.08614	1.7
85.02906	6.7
85.06543	0.6
86.09702	0.5
87.04472	0.9
90.14493	0.5
91.03961	2.6
91.05476	6.0
93.07041	5.7
95.04948	2.5
95.08601	3.7
97.02892	4.7
97.06517	1.1
101.02386	2.2
103.03937	0.6
104.21738	0.6
105.07024	3.4
107.08574	3.1
108.39203	0.6
109.02895	0.6
109.10159	1.1
111.08109	0.9
117.07042	0.6
119.08547	3.0
121.10143	2.1
123.11666	0.7
127.03925	1.6
129.07033	1.2
131.08578	1.7
133.10162	2.1
135.11708	1.0
147.11728	1.5
149.09634	1.7
157.10158	0.6
159.07907	0.5
159.11671	0.6
161.13318	0.6
184.07397	1.4
185.04204	1.1
193.12204	0.9
225.14909	0.6
229.73233	0.5
243.08394	4.3
279.93344	0.5
283.15240	5.4
301.09079	1.5
315.10620	1.0
323.18491	1.0
339.17899	1.0
373.11212	0.6
395.20627	0.7
427.19824	0.7
465.21024	0.9
501.23053	10.3
529.22119	0.6
535.28662	8.3
535.36475	0.5
573.25500	1.9
690.41254	0.6
795.44940	100.0
796.45270	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	797.516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.7
61.02925	7.0
65.03941	0.7
67.05500	6.5
69.03432	5.1
69.07059	1.1
70.44080	1.3
70.44473	1.4
71.04993	0.7
73.02907	5.0
76.79715	0.5
79.05487	4.5
81.03419	1.8
81.07041	6.1
83.08646	0.7
85.02892	5.7
87.82947	0.6
91.03957	4.4
91.05458	3.3
93.07034	5.2
94.08583	0.5
95.08607	5.3
97.02894	4.6
99.04448	0.8
101.02384	2.5
103.03964	0.7
105.07071	1.4
107.08596	2.3
109.02885	1.0
109.10182	1.2
117.07047	0.6
119.08600	1.7
119.56573	0.5
121.09393	0.5
121.10176	2.4
123.11655	0.7
127.03927	1.5
131.08530	1.3
133.10129	1.2
135.11667	0.7
144.49214	0.5
145.10101	0.6
149.13171	0.6
158.12115	0.5
161.13321	0.6
178.98079	0.5
185.04213	0.7
210.85400	0.5
243.08447	1.9
382.09064	0.6
443.95993	0.6
469.85300	0.5
519.29218	14.4
519.36969	0.7
542.90778	0.6
797.51611	100.0
798.51941	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	793.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.4
56.96571	0.4
57.03431	1.7
59.04990	0.3
61.02922	2.2
65.03930	0.4
65.14342	0.2
67.05502	4.5
68.05022	1.7
69.03416	2.2
69.07066	1.6
70.06589	43.1
71.01332	0.2
71.04996	2.9
71.61163	0.4
72.08150	100.0
73.02908	1.3
73.06558	0.5
73.07935	0.3
73.08492	0.3
74.06055	0.5
74.37701	0.3
79.05492	4.2
80.05013	5.0
81.03414	9.4
81.05772	0.3
81.07056	4.2
82.03777	0.3
82.06580	2.4
82.87399	0.3
83.04969	1.4
83.08611	2.5
83.24724	0.3
84.04502	0.8
84.08142	3.8
85.02888	2.8
85.06567	0.5
85.07648	0.6
86.06065	0.9
86.09686	1.5
88.07642	1.3
91.03956	0.9
91.05477	4.4
93.07052	3.2
94.06557	1.7
95.04966	3.5
95.08604	1.4
96.04485	0.6
96.08132	2.1
97.02885	4.8
97.06528	1.8
97.08891	0.3
97.10162	1.4
98.03223	0.5
98.06059	0.6
98.09687	0.6
99.04388	0.3
101.02468	0.3
105.07035	3.6
105.10296	0.8
106.06561	1.3
107.04953	1.5
107.08598	2.1
108.08122	1.4
109.02859	0.8
109.06516	0.8
109.10136	1.1
110.05988	0.4
110.07156	0.4
110.09672	12.8
111.04423	0.6
111.08077	1.3
112.07603	0.8
112.11223	0.3
114.09163	0.7
115.05511	0.5
117.07014	0.8
117.10230	0.3
119.04963	0.3
119.08566	2.5
120.08112	1.6
121.02882	0.8
121.06487	0.8
121.10127	2.0
123.04439	0.4
123.08051	0.6
123.11712	0.4
124.07603	0.8
124.11227	0.4
125.09646	1.5
126.05542	0.4
126.09158	0.8
127.03930	0.8
127.04847	0.3
127.12323	0.9
128.10722	3.8
129.06975	1.1
129.10271	0.7
131.08545	1.8
132.08092	0.7
133.06465	0.4
133.10117	1.6
134.09665	1.0
135.08044	0.4
135.11707	0.7
136.06209	0.4
136.07558	0.8
137.05969	0.8
137.09607	0.5
138.09041	0.3
142.07695	0.4
142.08711	0.4
143.11766	0.6
145.06419	0.5
145.10115	0.9
147.04404	0.5
147.08112	0.4
147.11653	1.4
148.07545	0.4
149.09608	1.4
150.09161	0.4
151.03966	0.4
153.09129	0.3
157.10129	1.6
163.11180	0.5
164.14342	0.8
165.09132	0.3
171.82785	0.3
174.12761	0.5
175.11082	1.4
189.11230	0.3
192.13805	3.7
193.12262	1.7
194.15506	0.3
198.11198	1.1
203.10483	0.3
204.17503	0.4
208.13225	0.4
210.14813	1.4
212.04939	0.3
227.12724	0.5
232.17014	1.3
244.16957	0.5
246.18449	0.5
248.16400	0.7
259.09518	0.5
262.17938	0.8
264.19550	1.0
266.17368	1.0
267.15906	5.0
279.20728	0.6
280.19092	0.7
282.20633	1.3
284.18521	1.2
285.16891	0.4
287.05505	1.3
299.82205	0.3
301.11612	0.5
303.04922	2.1
324.21475	0.4
335.23053	0.6
384.25153	0.5
458.28864	0.7
459.27319	1.3
474.28180	0.5
475.26968	0.3
476.29999	8.7
477.28836	0.4
492.28790	0.5
494.31027	3.3
516.32971	1.0
527.34631	0.9
528.33667	0.4
540.34802	0.7
545.35889	3.5
546.33813	0.4
563.36768	4.0
564.35352	1.3
581.37964	14.4
620.34015	0.3
638.35229	4.2
639.35498	1.0
656.35815	0.9
689.39020	0.8
692.40021	0.4
702.39722	1.1
707.40936	2.9
708.40253	0.5
725.42133	4.1
726.39679	0.5
743.43195	20.4
775.44617	1.1
793.43250	0.4
794.39893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11281	0.9
57.03438	1.6
61.02934	4.2
61.23380	0.8
67.05500	6.3
69.03394	2.0
69.07056	2.3
71.05000	1.0
71.60744	1.4
72.08157	1.2
73.02917	2.4
79.05478	4.9
81.03423	4.8
81.07044	5.2
83.08630	1.7
85.02891	4.2
86.09689	1.6
91.03950	1.0
91.05482	5.4
93.07048	4.0
95.04977	3.0
95.08612	3.1
97.02900	3.0
97.06568	1.0
99.04494	1.2
99.08095	1.0
101.02429	0.9
105.07048	3.6
107.04947	1.1
107.08592	2.9
109.06483	1.1
109.10162	2.2
117.07056	1.2
119.08602	2.8
121.10178	2.1
126.66470	0.7
127.03893	1.0
129.07033	1.4
131.08601	2.0
133.10156	3.1
135.11707	1.0
145.10158	1.3
147.11694	1.7
149.09654	2.0
157.10120	1.6
159.11765	0.8
159.54234	0.9
161.09660	1.0
171.11809	1.1
184.07355	4.5
193.12296	1.1
243.08521	2.6
253.14381	1.4
283.15277	2.3
315.19547	1.9
347.13596	1.0
371.22119	1.4
410.19272	1.1
501.23099	11.1
533.27191	6.9
571.58386	1.0
793.43420	100.0
794.43701	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	792.561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
55.05265	0.9
55.05508	14.5
57.03431	10.4
57.07054	2.4
61.02901	2.4
62.33534	0.6
62.51145	0.6
65.03948	2.8
67.05498	64.3
69.03422	1.8
69.07060	14.7
71.04977	2.3
71.08614	0.9
73.02914	0.8
77.03919	1.0
79.05484	38.5
81.03397	1.2
81.07049	59.5
83.04958	2.2
83.08614	7.9
85.02889	2.0
85.06510	1.7
91.03939	0.8
91.05475	23.6
93.07036	44.9
95.04965	4.3
95.08597	46.1
97.02869	1.5
97.06504	2.5
97.10151	3.4
99.08082	1.6
103.05444	0.8
105.07019	17.8
107.07854	1.2
107.08581	25.1
109.06505	1.1
109.10144	19.8
110.42667	0.5
111.08041	1.7
112.79676	0.7
117.07011	6.5
119.07781	1.0
119.08572	14.1
121.10131	22.7
123.08073	1.5
123.11681	7.8
125.09627	1.1
129.06978	2.4
130.15919	1.4
131.08549	11.7
133.10118	13.7
135.11673	15.1
137.13255	3.2
138.87555	0.7
140.07024	0.6
143.08540	1.4
145.10115	10.4
147.11665	9.5
149.13242	9.4
151.11165	0.7
151.14844	0.6
157.10133	2.2
159.11668	8.3
161.13255	7.5
163.14774	4.3
171.11662	2.1
173.13225	6.8
175.14841	4.1
177.16364	1.7
185.13196	1.8
187.14804	2.8
189.16391	1.2
199.14832	1.7
200.56685	0.6
201.16347	1.9
213.16341	1.4
215.17993	0.9
217.19441	0.9
231.21014	0.9
239.18079	0.6
241.19682	2.6
243.21037	6.2
259.20532	6.4
261.22110	17.2
263.23676	1.2
279.23172	0.8
315.23059	1.1
315.26514	0.8
317.24860	3.3
333.24127	5.3
335.25763	100.0
336.26111	2.3
337.27319	9.5
461.54327	0.6
521.43304	2.1
539.44122	1.0
595.47156	16.0
596.46973	0.9
613.48187	10.0
780.63409	0.7
792.52911	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	791.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.5
55.05497	1.5
56.05019	0.7
56.96565	0.7
57.03432	0.8
61.02925	1.6
65.89075	0.7
66.03466	1.2
67.05494	3.4
69.03424	3.6
69.07069	1.2
69.83394	3.6
70.06590	15.2
71.04981	2.3
72.08142	2.9
77.03912	0.9
79.05491	2.5
80.05047	0.8
81.03410	3.8
81.07042	2.5
82.06563	0.9
83.04969	1.1
83.08595	1.5
84.04501	0.9
84.08131	6.1
85.02888	5.1
86.06069	1.1
86.09682	3.1
91.05469	3.2
91.66944	0.7
93.03401	2.4
93.07030	3.6
94.06564	4.7
95.04948	2.7
95.07316	2.1
95.08588	1.5
96.08116	4.7
97.02886	3.8
97.06516	1.3
97.10175	1.0
99.04446	1.0
100.05931	0.7
100.07557	1.0
101.08368	2.1
101.10761	0.7
102.05501	0.8
102.09171	0.8
105.07014	1.9
106.06514	1.0
107.08545	1.4
107.14774	0.7
108.04476	4.3
108.08129	5.2
109.02856	1.4
109.06525	0.7
109.10134	1.9
110.09673	7.0
111.04462	0.7
117.10219	1.4
118.06552	1.6
118.11043	6.1
119.04904	1.3
119.08546	1.5
120.04456	3.2
120.08108	7.6
121.06472	0.7
121.10118	1.2
122.06010	5.8
122.09722	1.0
124.07589	9.8
127.03917	1.0
129.10225	1.7
131.08534	0.8
133.10126	1.0
133.91692	0.6
134.05963	3.8
136.07568	7.1
137.05977	1.4
138.09116	11.2
142.08705	0.8
144.04439	0.9
145.02869	0.9
146.05991	71.8
147.06314	1.5
148.07547	6.3
150.09123	2.1
152.07039	1.7
153.01830	1.0
157.23666	0.7
160.03949	1.2
162.05449	1.4
164.07069	2.1
166.08624	21.4
167.07164	0.9
167.08737	0.8
172.03957	4.8
172.07545	1.0
174.05516	0.8
177.05501	0.9
178.04996	0.7
182.09627	1.2
184.07388	2.0
186.09102	0.7
190.04973	17.0
191.05391	0.8
197.10696	1.8
199.08730	1.0
199.12253	2.0
209.10699	1.6
210.11429	1.4
211.08670	3.8
211.12305	1.1
212.09409	2.1
223.12186	1.2
224.09276	1.0
225.10178	5.4
225.13812	0.8
226.10979	1.3
227.11774	11.6
236.09282	1.0
237.10153	2.7
238.10936	2.5
239.11804	2.8
241.09648	0.9
241.13362	2.6
251.11842	3.3
252.12468	1.0
253.09776	2.6
253.13284	4.2
255.11310	1.0
257.12839	1.2
265.09647	1.1
266.10489	0.8
266.14142	0.7
267.11383	1.6
269.12790	7.1
271.10834	3.7
271.14401	10.8
273.12323	3.2
279.11398	1.8
281.12808	3.2
283.10809	4.2
284.11514	3.2
285.09946	0.7
285.12393	7.5
286.13052	3.1
287.05435	1.0
287.13892	23.5
295.10767	1.4
297.12347	9.8
299.13870	100.0
300.14297	3.1
302.07675	0.8
303.04910	1.3
307.10852	1.1
309.12296	0.8
311.14023	1.4
312.15002	1.0
313.12411	0.7
314.12872	2.0
315.13504	2.5
316.14435	3.1
317.15121	1.0
321.12192	1.0
323.10330	1.8
325.11664	5.2
326.16318	1.0
327.13580	0.9
328.10901	1.2
328.14526	0.9
330.15936	5.5
331.16800	4.6
339.04984	1.0
339.13278	2.9
342.12091	2.0
342.16074	1.2
343.12714	4.0
344.13721	1.5
344.17551	1.3
346.19141	1.3
355.13272	0.9
356.13925	3.8
357.14609	1.7
358.15463	6.3
359.16217	1.2
370.15454	1.7
371.16254	1.5
372.17172	4.6
373.17862	5.2
378.18161	8.7
384.13437	1.0
386.18616	1.9
390.18073	8.7
398.14816	4.3
399.15707	8.6
402.18054	2.9
404.15674	1.2
414.18042	5.3
416.15677	4.8
420.19125	11.8
428.15634	1.0
432.19168	37.1
433.19009	1.3
440.15961	2.3
446.16837	2.5
458.17062	8.1
461.19025	4.4
477.15274	3.0
487.17133	1.8
495.16495	2.1
525.24683	0.9
539.25897	1.0
551.19318	2.4
567.26276	3.5
569.20209	1.3
585.27002	45.6
586.27307	1.5
586.98889	0.8
587.20313	0.9
593.23547	2.0
611.24921	24.9
612.24323	0.9
629.26447	2.0
747.33173	1.7
773.30475	6.0
791.33179	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	790.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.2
55.05507	24.1
57.03435	12.4
57.07061	2.3
59.04986	2.5
61.02911	2.2
65.03922	3.0
66.50247	1.3
67.05500	51.1
69.03415	4.8
69.07059	16.6
70.12183	2.5
70.12581	5.6
71.04981	8.2
71.08639	1.8
72.08128	1.4
73.66021	1.6
79.05484	53.2
81.03412	44.6
81.07046	46.2
83.04972	6.3
83.08611	17.2
85.02883	5.1
85.06525	3.9
91.05470	52.2
93.07036	50.8
95.04958	22.3
95.08605	29.5
97.02888	4.1
97.06513	5.9
97.10146	11.0
99.08076	3.0
103.05468	1.5
105.07021	44.4
107.04958	9.3
107.08592	27.4
109.06541	6.4
109.10145	18.8
111.04426	2.9
111.08073	5.6
112.99145	1.4
115.05436	3.3
117.07001	19.2
119.08569	40.2
121.06496	5.6
121.10135	22.1
123.08101	4.6
123.11677	2.4
125.09626	9.7
128.06200	2.7
129.06982	16.5
130.07852	1.5
131.08557	26.4
133.06494	3.0
133.10121	26.1
133.11082	2.4
135.08040	5.5
135.11679	10.0
137.09619	3.2
141.06982	2.8
142.07777	3.8
143.08565	11.2
145.06499	2.7
145.10110	22.5
147.08035	4.8
147.11664	20.6
148.77982	1.3
149.09621	5.1
149.13263	4.2
151.11145	2.9
155.08539	6.2
156.09277	1.7
157.10124	14.2
159.08060	2.9
159.11679	17.1
161.09625	1.8
161.13248	10.2
163.11189	5.3
165.12732	2.7
166.04913	1.5
167.08653	2.5
168.09335	1.6
169.10153	7.1
169.63492	1.4
171.07999	1.6
171.11665	12.1
173.09625	3.3
173.11848	2.7
173.13263	8.6
175.11183	4.8
175.14835	2.8
177.12808	4.2
179.14284	1.4
181.10178	3.5
183.11691	4.9
184.07298	7.8
185.09644	1.7
185.13263	9.2
187.14812	2.3
189.11235	4.1
191.10867	1.3
193.10504	1.2
193.12187	6.7
195.11688	4.9
197.09656	1.6
197.13292	5.5
198.51208	1.4
199.14844	4.7
201.25864	1.3
207.11739	2.5
209.13367	3.1
211.14885	2.1
213.16441	1.8
217.15927	2.2
227.12750	8.1
229.14398	6.3
231.21071	1.7
239.18018	1.4
241.19524	5.1
247.09021	1.5
251.16307	1.8
259.20511	15.7
267.15881	18.7
269.17319	1.6
269.26935	1.6
273.18478	2.3
275.20117	3.6
283.15341	3.4
283.20450	2.2
284.40454	1.5
291.19537	2.6
293.21094	6.6
299.14719	2.1
299.20386	1.5
299.23602	6.6
301.21429	1.6
309.21146	1.4
315.23401	1.6
329.21368	1.6
332.15289	1.9
333.24289	10.6
357.24207	1.8
367.24719	1.9
403.24686	2.7
407.24075	1.8
415.29666	3.7
417.25992	1.6
421.25903	8.4
433.30984	10.9
435.27414	6.1
451.31970	11.4
469.14883	1.6
469.32983	5.7
503.34027	1.9
507.34613	4.2
512.06543	1.3
517.35095	4.1
525.35693	47.4
539.37408	1.9
543.36761	100.0
544.36816	2.0
557.38489	11.1
575.39642	13.5
605.12817	1.4
791.39825	2.3
800.27814	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	790.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.8
55.05508	39.0
56.96574	4.3
57.03424	15.0
61.02911	7.3
66.45222	4.4
67.05505	57.2
68.69306	3.9
69.03423	7.5
69.07059	24.5
70.06583	19.9
71.04983	8.8
71.60302	5.4
72.08120	5.3
73.02910	4.3
79.05491	59.4
81.03415	63.2
81.07047	100.0
83.04983	24.6
83.08617	31.8
84.08106	4.4
85.02901	34.2
86.09716	10.0
89.61584	3.6
91.05486	57.1
93.07047	40.1
95.04958	42.4
95.08614	25.9
97.02888	7.4
97.06511	18.2
97.10172	22.7
105.07032	41.6
107.04954	19.7
107.08604	32.2
109.06497	17.4
109.10147	15.1
111.04456	11.5
111.08062	11.9
115.05463	4.3
117.07026	18.1
119.08563	34.8
121.06474	8.4
121.10125	20.3
123.08042	20.4
125.09609	22.8
127.03891	5.9
129.06990	16.9
131.08539	28.4
133.06493	8.3
133.10100	22.0
135.08070	10.0
135.11665	16.8
137.09561	7.7
143.08562	5.8
145.06425	5.5
145.10107	18.5
147.08049	13.1
147.11665	20.3
149.09596	11.8
149.13220	4.7
153.12767	8.7
155.08434	4.8
157.10103	21.4
159.11620	7.0
161.09731	8.2
163.11153	17.4
173.09573	7.6
175.11179	17.6
184.07343	46.9
189.11206	15.4
191.10594	5.5
193.12238	42.4
211.13289	60.8
215.29614	4.5
223.13203	5.0
227.12804	28.1
249.14815	6.3
267.15848	30.7
273.18439	35.9
283.15387	6.9
285.09937	5.9
285.16992	70.4
291.19492	75.5
347.22076	12.7
365.23233	38.4
383.24222	9.8
412.01566	4.3
465.29678	4.6
495.99454	4.3
539.33197	8.7
557.34863	38.9
575.35583	51.6
593.36774	27.7
816.40228	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	790.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.2
55.05508	0.3
56.96565	0.1
61.02927	0.2
63.54185	0.1
65.03930	0.6
67.05494	0.5
67.50630	0.1
69.03421	0.7
69.07046	0.3
70.06590	1.7
71.60388	0.2
72.08148	0.4
73.02892	0.1
79.05489	0.5
80.04936	0.1
81.03419	0.9
81.07052	0.4
83.04974	0.2
83.08604	0.1
84.04509	0.3
84.08129	0.6
85.02907	0.7
86.09697	0.5
88.03994	0.2
91.05479	0.6
93.07039	0.2
94.04202	0.2
94.60297	0.1
95.04958	0.5
95.08591	0.4
97.02882	100.0
97.06507	0.4
98.03203	0.4
98.05996	0.1
99.04431	0.2
103.05444	0.2
105.07029	0.4
107.04949	0.2
107.08566	0.2
109.02833	0.2
109.06506	0.2
109.10104	0.2
111.04429	0.6
114.05525	0.4
115.03936	0.1
115.05449	0.4
117.07022	0.2
119.04992	0.2
119.08554	0.2
120.08119	0.3
121.02857	13.5
121.06524	0.2
122.03661	0.2
125.33641	0.1
127.03903	0.2
128.06189	0.2
129.06999	0.5
129.10199	0.3
131.04919	0.2
131.08603	0.2
133.02844	0.5
133.10176	0.2
136.07603	0.2
137.05957	5.6
143.04922	0.7
145.06464	0.1
147.04439	0.3
149.09517	0.1
151.01973	0.1
151.03902	2.4
151.07520	0.2
153.31421	0.1
157.06511	0.4
160.05156	1.2
161.06007	0.3
163.03864	0.3
163.07567	0.3
163.11102	0.2
165.09097	0.2
172.05173	0.2
175.06020	0.3
175.07533	6.5
177.05510	0.2
187.07529	2.3
189.09126	0.4
191.07021	0.2
193.12117	0.2
198.57294	0.1
205.08548	1.3
211.13245	0.1
217.04941	10.0
219.08331	0.2
231.08112	0.2
235.05980	5.6
235.09488	1.0
248.08331	0.2
253.07028	4.7
255.06717	0.2
263.10715	0.2
267.15860	0.4
271.09702	0.2
287.05432	0.3
291.10165	0.3
303.05066	0.3
311.12839	0.1
323.12692	0.3
341.13889	0.3
357.13446	0.2
459.27341	0.2
649.22754	0.1
671.11481	0.1
790.41803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.5
55.05503	15.3
57.03435	9.3
57.07069	1.9
57.32975	1.1
59.04995	1.9
61.02911	2.6
65.03943	2.0
67.05499	32.8
69.03418	4.0
69.07061	17.2
70.06588	2.8
70.77383	2.4
70.77795	2.5
71.04993	4.8
71.08621	4.3
72.08150	3.2
73.02898	1.3
79.05485	29.1
81.03409	37.0
81.07047	36.5
82.51018	1.3
83.04964	6.9
83.08612	12.4
85.02907	3.5
85.06554	2.4
86.09707	1.7
87.04446	2.2
91.05468	37.8
93.07034	28.2
94.07372	1.3
95.01337	2.7
95.04954	16.6
95.08595	21.7
97.02866	3.8
97.06506	10.7
97.10159	3.8
99.08072	2.8
105.07021	37.0
107.04940	9.5
107.08575	13.4
109.02829	1.7
109.06507	4.7
109.10143	8.8
111.04453	2.2
111.08085	5.2
117.07015	11.4
119.08560	23.8
121.06483	4.1
121.10105	8.5
123.08075	3.9
123.11677	2.2
125.09620	3.0
127.03945	2.1
129.07031	6.1
131.08556	15.9
133.06480	2.1
133.10106	20.1
135.08064	3.7
135.11641	6.9
137.09599	2.6
142.07784	1.5
143.08575	3.3
145.10109	11.5
147.08040	2.5
147.11658	10.4
149.09592	7.0
149.13217	3.7
151.11195	1.8
155.08527	2.3
157.10114	5.9
159.11668	7.3
161.09569	2.3
161.13240	3.9
163.11197	4.9
165.12785	1.5
167.08658	1.2
169.10121	3.0
171.11597	2.9
173.09642	1.5
173.11798	2.0
173.13208	2.9
175.11192	5.6
177.12737	9.5
179.14287	3.4
183.11681	1.5
184.07318	4.1
185.11790	1.2
185.13258	1.3
187.11176	2.1
187.14902	1.4
189.11264	1.3
193.12215	9.2
195.11707	1.5
211.13281	2.9
219.17419	5.4
223.13219	1.7
227.12817	1.7
229.14291	2.6
252.01918	1.4
257.18979	3.8
259.20627	2.3
267.15866	47.5
273.18362	1.3
275.20053	27.3
277.21716	1.6
283.15515	1.7
285.16946	2.8
291.19635	2.7
293.21017	5.8
311.85583	1.2
349.23700	22.7
456.84894	1.6
461.28976	1.7
479.30246	1.6
489.36020	2.0
514.36084	1.7
529.38586	4.0
541.35205	100.0
542.35645	3.6
559.36279	8.0
607.43768	1.8
608.43433	2.7
611.46576	4.5
626.44769	6.8
629.48047	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	787.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	17.2
55.05514	34.8
57.03426	11.1
57.07076	6.4
60.76950	2.8
61.02917	12.8
65.03940	4.8
67.05162	5.5
67.05499	69.8
69.03430	16.8
69.07060	28.2
69.41757	27.8
71.01334	3.0
71.04977	7.8
73.02904	7.7
75.84734	3.2
79.05490	57.5
81.03413	19.0
81.07047	62.2
82.46487	2.8
83.04971	6.7
83.08624	16.3
85.02893	14.8
87.24630	3.1
91.03976	5.6
91.05474	45.4
93.07031	48.8
95.04980	14.7
95.08599	45.9
97.02887	14.2
97.06525	19.0
97.10176	17.0
98.20683	5.5
99.04419	4.4
99.07272	2.8
99.08076	4.6
105.07024	50.8
107.04930	7.3
107.08578	26.3
109.06533	8.9
109.10168	25.1
115.05461	5.4
117.06985	24.1
119.08566	30.1
120.37476	3.4
121.10161	21.5
123.08074	4.4
123.11717	7.6
125.09612	9.5
128.06219	4.4
129.06990	18.9
131.08562	32.5
133.10124	28.0
135.08054	8.4
135.11688	15.9
141.06947	7.5
142.07704	3.8
143.08601	18.3
145.06465	3.7
145.10121	34.0
147.11671	16.8
149.09650	9.5
149.13223	6.7
151.11151	5.5
155.08566	14.2
157.10066	27.2
159.08063	4.8
159.11690	19.9
161.09569	5.2
161.13226	8.5
163.11124	3.7
167.08522	8.9
169.10117	19.3
171.11714	14.3
173.13255	10.9
175.11255	4.9
181.10106	8.9
181.75357	3.2
183.11664	14.7
185.09665	4.1
185.13249	13.1
187.11287	4.4
187.14761	6.0
189.11200	5.2
195.11722	10.1
197.13275	14.4
199.14740	6.5
200.99414	3.4
201.16396	3.8
207.11621	4.1
209.13167	6.7
211.14827	9.1
213.16394	4.7
223.14743	6.6
225.16385	6.0
227.12672	7.4
227.20042	10.8
228.20496	3.7
229.14265	4.5
239.18045	4.8
241.19595	4.2
250.53119	3.3
257.18994	6.5
259.20581	10.4
273.18466	6.9
275.19974	13.6
315.23010	3.8
333.24115	5.2
349.23874	5.4
384.30612	3.6
510.98813	3.9
513.35632	22.9
515.38489	6.8
533.39838	4.2
607.43353	40.3
625.44598	100.0
626.29480	3.8
715.45135	4.1
769.47906	5.6
787.48883	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	787.2076
Annotation	Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
55.05490	0.2
55.12759	0.1
57.03430	0.2
60.20298	0.1
61.02911	0.7
63.02368	0.4
65.03929	0.3
67.05506	0.2
68.99789	0.6
69.03428	0.9
69.07055	0.2
69.80257	1.0
70.06589	1.6
71.04963	0.2
72.08144	0.3
73.02917	0.3
75.92580	0.1
78.04720	0.3
79.05476	0.4
81.03413	3.3
81.07053	0.2
84.04485	0.2
84.08128	0.5
85.02893	1.8
86.09698	0.7
89.03911	4.5
91.03947	0.3
91.05463	0.6
93.07014	0.5
95.04948	0.2
97.02896	0.9
97.06548	0.2
98.20718	0.3
99.04445	0.4
103.05432	0.3
105.03371	0.3
105.07013	0.3
106.04158	0.2
107.04922	0.4
107.08595	0.2
109.02879	0.9
111.00806	0.8
111.04446	0.2
117.03373	13.1
118.92489	0.2
119.04922	0.4
119.08639	0.2
120.08077	0.2
121.02862	2.9
121.06512	0.2
122.09676	0.2
123.08012	0.2
124.47521	0.1
127.03890	0.5
129.06990	0.3
129.10237	0.5
133.02846	0.6
134.03630	1.2
135.04405	1.8
137.02324	0.7
137.74474	0.2
140.10675	0.4
145.02837	36.8
147.04413	1.3
149.05977	4.6
153.01817	4.1
157.06465	0.3
163.03868	0.8
165.01810	2.0
171.04413	0.4
177.05458	76.7
178.05815	0.4
183.02882	0.7
185.05917	0.4
186.05457	0.8
195.06454	1.1
203.07051	0.2
203.10362	0.2
213.05473	1.3
231.06529	0.8
241.04846	0.9
253.14279	0.2
258.05240	1.1
259.06140	0.4
269.04303	0.2
287.05481	100.0
288.05896	0.9
299.05420	0.6
311.05313	0.2
321.09717	3.9
329.06430	0.9
339.10757	3.8
353.06564	0.4
426.31836	0.5
449.10645	0.3
564.48773	0.2
575.26270	0.2
654.68579	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	787.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	18.7
55.05502	37.8
57.03424	18.3
57.07051	6.9
61.02905	8.2
65.03921	12.5
65.04536	4.7
67.05496	88.8
69.03421	29.0
69.07067	49.3
71.04971	14.0
71.08618	8.3
71.60912	5.9
73.02914	7.7
79.05492	70.3
81.03419	49.2
81.07056	100.0
83.04964	18.1
83.08597	19.1
85.02868	18.3
85.06528	10.0
91.05479	86.2
93.07039	87.0
95.04949	23.2
95.08602	60.2
97.02892	25.5
97.06516	33.2
105.07013	67.1
107.04928	12.6
107.08586	42.9
109.02852	11.8
109.06503	14.7
109.10142	29.6
111.04407	6.6
111.08038	10.6
115.05365	4.9
117.06987	25.5
119.08552	58.9
120.84551	4.6
121.06499	6.6
121.10169	30.5
123.08060	9.9
123.11678	9.3
125.09579	7.4
127.03864	12.2
129.06982	18.3
131.08566	44.1
132.08920	5.6
133.10098	47.1
135.08070	12.1
135.11678	21.3
139.11169	5.2
141.06892	6.0
142.07861	5.1
143.08546	26.4
145.10110	31.5
147.08031	10.0
147.11664	31.8
149.13248	10.5
151.11169	5.8
155.08501	8.6
157.10088	18.9
159.11678	23.1
161.13280	14.1
163.11118	9.8
165.12802	6.1
167.08557	8.8
169.10123	15.3
171.11679	13.2
173.04419	19.7
173.13231	18.7
179.14302	8.4
181.09975	8.0
183.11674	9.3
185.13179	9.8
187.14719	7.8
195.11734	8.8
197.13202	12.2
199.14761	9.0
211.14821	10.4
213.16496	6.8
227.12708	6.3
241.19507	14.2
257.18900	6.0
259.20560	13.0
264.37088	5.2
267.15909	10.3
273.18408	13.4
275.20047	22.8
291.19632	7.4
333.24200	14.0
335.25607	9.8
337.16571	5.5
349.24051	13.9
354.80051	5.0
365.23325	5.9
527.37256	12.6
533.39648	7.0
607.43439	48.8
625.44550	72.5
628.46082	7.1
640.68152	5.9
689.41602	10.3
787.46448	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	10.1
55.05502	44.7
55.99934	3.6
57.03429	9.8
57.07066	7.1
61.02901	14.3
65.03934	3.9
67.05499	60.1
69.03429	15.6
69.07066	27.3
69.20290	3.4
69.38072	35.1
71.04985	8.3
73.02910	6.7
76.89554	3.0
77.91138	3.3
79.05485	53.3
81.03412	18.9
81.07048	51.6
83.04963	8.4
83.08598	14.2
85.02898	11.2
85.06517	3.5
91.03940	4.4
91.05460	36.7
93.07043	41.9
95.04953	15.6
95.08599	36.6
97.02862	14.1
97.06546	5.3
97.10153	26.0
105.07012	35.9
107.04955	7.8
107.08582	29.5
109.06464	5.4
109.10131	18.7
115.05417	4.9
117.07014	25.4
119.08546	24.9
121.06514	6.3
121.10119	15.2
125.09589	18.6
127.03896	5.0
128.06206	9.4
129.06987	24.9
131.08534	23.1
133.10109	18.3
135.08014	5.5
135.11693	9.9
141.06985	12.8
142.07759	7.3
143.08540	24.2
145.06401	4.8
145.10141	21.2
147.11697	11.9
149.09564	4.7
154.07692	5.3
155.08517	21.3
156.09245	3.9
156.91794	3.8
157.10126	23.9
159.11623	12.7
161.09625	4.0
161.13246	5.3
165.07037	4.7
166.07776	3.8
167.08536	12.1
168.09319	5.3
169.10107	14.2
171.08022	3.5
171.11690	13.7
173.04509	4.2
173.09569	3.6
173.11778	4.8
173.13217	6.0
179.08458	5.7
181.10097	14.1
183.11652	18.6
185.09583	4.7
185.13223	9.5
187.11102	5.1
187.14813	4.1
189.11182	13.8
193.10118	5.7
195.11649	14.1
197.13237	13.1
199.14861	6.8
207.11668	6.2
209.09293	3.5
209.13232	11.6
211.14810	6.7
221.13379	4.8
225.12679	3.7
225.16330	7.0
227.12730	14.2
264.07581	3.5
266.70145	3.5
271.17319	3.3
271.20221	4.3
273.18796	4.0
275.19940	5.4
291.19498	10.1
309.22128	4.2
379.29996	5.9
438.78345	3.9
513.36633	11.0
529.34729	3.7
531.37885	9.8
549.38812	5.4
553.35083	4.2
605.41803	24.6
623.42981	100.0
749.45892	4.2
767.47559	5.8
785.48401	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	785.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
55.05513	12.0
56.96572	2.5
57.03426	6.4
61.02924	26.2
67.05499	29.5
69.03424	10.5
69.07053	8.1
70.06580	8.0
71.04983	3.3
71.60065	1.7
71.60439	2.3
72.08150	3.4
73.02900	10.2
79.05485	24.0
79.68988	1.7
81.03407	10.2
81.07052	29.7
83.04970	4.1
83.08601	7.5
84.08101	2.2
85.02908	30.3
85.06534	2.9
86.09684	3.5
88.44886	1.6
91.03944	19.2
91.05475	31.0
93.07035	24.2
95.04951	7.5
95.08598	17.2
97.02883	19.9
97.06503	5.8
97.10181	3.9
101.02341	2.1
105.07015	20.8
107.04945	5.4
107.08587	10.5
109.02859	3.3
109.06480	5.0
109.10150	8.6
111.08103	2.7
112.53963	1.6
115.05495	2.6
117.07002	20.0
119.08569	10.9
120.08134	1.9
121.06480	5.5
121.10139	7.7
123.08070	2.2
124.71814	1.7
125.09621	2.6
127.03886	7.1
128.06203	5.2
129.07001	18.4
131.08557	25.3
133.06487	4.2
133.10135	10.6
135.07974	4.0
135.11658	5.4
137.05983	2.6
137.09561	2.1
141.06960	7.7
142.07738	2.6
143.08569	18.0
145.05000	4.1
145.06433	4.6
145.10121	16.1
147.08047	3.1
147.11661	6.8
149.09589	3.9
155.08546	12.4
156.09351	2.1
157.06453	2.0
157.10124	10.5
157.41226	1.7
159.08049	4.0
159.11644	8.9
163.05995	3.2
163.11145	2.8
165.06996	2.9
167.08536	6.9
169.10109	12.6
171.08105	3.1
171.11691	6.8
173.09651	2.6
173.13303	2.7
175.11218	2.2
177.12691	1.8
179.08586	2.8
181.10091	7.9
183.11685	7.0
185.09622	2.9
185.13242	7.5
187.11160	1.9
193.10086	2.9
195.11674	8.6
197.13266	4.2
199.11072	2.1
201.12682	1.9
209.13254	5.6
211.14862	2.9
213.12730	2.3
215.14403	2.3
221.13249	6.4
223.14833	3.2
225.12755	2.4
225.16356	2.3
233.15196	2.0
239.14326	3.2
241.15971	2.6
269.10580	1.9
269.19421	1.7
285.09918	1.9
294.12085	2.0
323.23700	5.1
333.22110	9.2
341.24460	2.7
351.23181	32.0
369.24173	21.6
387.25275	12.0
415.28387	2.2
425.26730	7.9
433.29480	2.5
443.27908	100.0
444.28113	3.9
461.28976	60.6
462.29507	2.5
605.33447	3.9
623.34235	4.3
700.68048	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	783.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.0
56.05018	1.3
56.96561	0.8
57.05816	0.9
60.04524	1.1
61.01147	0.9
61.02919	1.0
65.03914	1.2
66.80393	0.8
67.05502	2.3
69.03422	1.9
69.07066	1.3
70.02966	1.0
70.06589	28.3
71.05000	1.1
71.06907	1.0
71.59552	0.8
71.60013	1.3
72.08152	2.5
74.06069	0.9
79.05489	2.3
81.03407	6.3
81.07063	2.8
83.04976	1.0
83.08607	1.5
84.04511	2.3
84.08139	10.8
85.02899	2.8
86.09704	7.2
87.05555	4.2
87.10050	1.1
91.03980	0.9
91.05482	3.5
93.07041	3.7
94.06596	1.1
95.04969	4.5
96.08106	1.4
97.02890	2.1
98.03239	0.8
98.06062	2.2
102.05551	1.1
104.05321	1.0
105.07034	2.1
108.08083	1.2
109.02855	0.9
109.06498	1.0
110.07167	1.1
115.08752	0.7
119.08603	1.4
120.08090	2.6
121.06493	1.1
122.05995	3.8
124.07594	11.5
126.05515	2.7
127.03902	1.1
129.10233	5.7
133.10135	1.4
136.07568	100.0
137.05981	1.5
137.07932	2.0
138.09100	1.4
140.07050	1.9
146.06134	1.1
148.07492	0.9
152.07057	24.7
152.14230	1.0
154.09694	0.9
159.09126	0.9
163.03883	1.1
164.07059	96.3
165.07410	2.0
165.09061	1.1
169.15742	0.8
170.08141	8.3
182.08124	25.0
182.09749	1.2
184.07332	1.0
186.09041	1.0
193.12239	2.6
202.08533	0.9
214.12238	1.0
251.08855	0.9
255.11119	1.5
267.08990	1.4
267.16016	3.6
272.07877	2.6
285.16962	1.9
287.13898	29.0
301.11816	8.0
303.04993	2.1
305.14938	38.7
319.12790	5.5
337.14468	1.2
399.10934	1.2
418.21826	0.9
543.76996	0.9
734.05750	1.0
783.33771	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05496	2.1
56.96566	0.7
57.03429	2.9
60.08130	0.6
61.02925	3.9
61.95383	0.7
67.05503	5.8
69.03430	3.5
69.07066	2.9
70.06625	0.8
71.04981	1.0
73.02918	4.1
78.26401	0.7
79.05493	4.6
81.03399	4.8
81.07054	5.8
83.04990	2.2
83.08631	1.0
85.02893	5.6
86.09710	2.3
91.03940	2.1
91.05482	4.4
93.07033	4.5
95.04979	2.5
95.08620	2.4
96.26898	0.8
97.02882	4.9
99.04488	0.7
101.02389	1.6
105.07024	3.5
107.08585	2.4
109.02857	1.5
109.06551	1.2
109.10153	1.7
111.08089	0.9
117.07034	1.3
119.08592	2.8
121.06509	0.7
121.10152	1.4
123.07990	0.8
125.00043	1.9
127.03937	1.1
129.05513	0.8
129.07054	0.9
131.08546	1.4
132.09222	0.7
133.10176	1.0
135.08092	0.7
135.11722	1.6
145.10249	0.7
147.11691	2.0
149.11491	0.7
157.10104	1.0
171.13867	1.1
184.07346	9.8
185.07713	1.6
193.12271	1.2
229.66324	0.7
243.08493	2.0
253.13271	0.9
269.12390	2.1
283.06192	1.1
333.20135	1.1
453.21368	1.2
469.20224	6.0
517.90649	0.7
551.28204	5.0
615.70935	0.8
779.41821	100.0
780.41754	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	779.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.1
57.03436	1.7
60.31561	0.4
61.02925	5.2
65.67814	0.4
65.98913	0.4
67.05501	4.4
69.03411	2.3
69.07063	1.7
71.04996	0.9
71.60777	0.5
73.02908	2.9
77.20798	0.4
79.05484	3.3
81.03422	2.8
81.07051	4.7
83.04994	0.7
83.08616	0.7
85.02905	4.6
85.06551	0.5
86.09693	1.3
91.03960	2.6
91.05470	2.9
93.06043	0.5
93.07040	3.9
94.01371	0.5
95.04981	1.5
95.08595	3.4
97.02894	4.7
99.04458	1.1
101.02392	1.9
103.03960	0.7
105.07043	1.6
107.08585	2.4
109.02938	1.0
109.10175	1.4
115.69381	0.4
117.07066	0.5
119.08617	1.3
121.10150	2.3
123.08113	0.5
125.00027	1.3
127.03947	1.5
129.06992	0.8
131.08583	1.5
133.10149	0.9
135.11691	0.6
147.11710	1.2
147.88544	0.4
149.09650	0.8
157.10112	0.6
175.11047	0.5
184.07310	5.6
193.12309	0.7
205.37708	0.5
243.08434	1.8
258.92557	0.4
267.16013	0.5
283.15164	5.1
304.47098	0.5
338.27573	0.5
339.17682	0.6
351.24051	0.4
406.01767	0.6
426.42102	0.5
501.23022	6.9
502.23560	0.5
519.29242	6.4
779.45428	100.0
780.45709	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	779.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56039	0.6
55.01870	0.9
55.05508	2.0
57.03424	2.3
61.02922	4.7
67.05504	4.0
69.03422	3.0
69.07073	2.6
69.62786	5.2
70.06590	1.3
71.04991	0.9
73.02914	3.6
79.05482	4.6
81.03418	3.6
81.07042	5.0
83.04977	1.4
83.08620	1.8
85.02903	6.8
86.09695	2.0
87.04447	0.9
91.03954	3.0
91.05473	4.5
93.07028	3.6
95.04966	2.9
95.08613	1.7
97.02886	4.1
97.06559	0.8
97.10168	1.0
101.02388	1.9
105.07043	3.0
107.04964	0.9
107.08603	2.5
109.10153	1.5
117.07025	1.2
119.08601	2.3
121.10168	2.2
123.11726	0.7
124.66000	0.6
127.03932	1.2
129.06989	1.3
131.08586	2.0
133.10188	1.3
145.10138	1.1
146.27901	0.6
147.11662	1.3
154.39262	0.7
157.10153	1.3
165.23198	0.6
170.30081	0.7
184.07387	3.6
193.12300	1.2
243.08430	2.8
251.12592	0.7
260.62592	0.7
269.12546	1.0
301.09299	0.7
333.20630	1.3
439.19699	1.0
469.20358	6.2
551.28265	5.7
642.60480	0.9
779.41815	100.0
780.42072	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	777.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.6
56.96549	0.8
57.03431	0.9
67.05486	1.4
69.03421	1.1
70.06578	1.9
71.11871	1.1
79.05497	1.4
80.07182	0.5
81.03423	1.6
81.07042	0.8
85.02914	1.0
86.09702	1.4
91.05472	1.3
93.07042	0.9
93.31804	0.5
95.08608	0.7
97.02895	0.9
103.26356	0.6
105.07020	0.7
107.08588	0.9
109.10160	0.9
121.10101	0.6
125.61214	0.6
127.03980	0.5
129.10265	0.8
131.00183	0.8
135.11742	0.6
145.10207	0.9
148.07544	0.7
148.22763	0.5
149.01227	1.2
153.01868	0.7
267.08987	6.7
267.16312	0.5
285.10052	6.9
293.05249	0.5
305.22025	0.6
308.11905	0.7
309.10275	0.8
323.11548	0.9
467.15811	0.8
471.31332	0.6
477.15619	0.8
485.16913	5.8
517.20819	1.0
610.24225	1.0
673.35175	0.7
677.28650	0.7
701.64661	0.6
777.36615	100.0
778.37079	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	777.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.05503	4.2
57.03423	2.2
61.02914	4.2
65.97154	0.8
67.05498	8.1
68.09962	0.9
69.03415	4.0
69.07065	3.8
69.32382	7.8
70.06590	0.9
70.10960	0.6
71.08616	0.8
73.02896	3.8
79.05486	7.3
81.03407	5.3
81.07039	6.7
82.07394	1.3
83.04981	2.0
83.08624	2.0
85.02892	4.8
85.06496	0.9
86.09718	1.2
91.03941	2.4
91.05462	4.6
93.07036	6.4
95.04965	2.0
95.08583	4.7
97.02878	3.6
97.06548	1.5
97.10183	1.8
98.20728	1.4
99.04452	0.8
101.02384	1.7
105.07043	4.4
107.04949	1.7
107.08568	3.6
109.06490	1.1
109.10159	1.8
115.03957	0.7
117.07072	1.2
119.08606	3.0
121.10152	2.7
127.03969	1.1
131.08578	2.5
133.10136	1.7
135.08075	0.8
135.11748	4.0
138.99017	0.8
145.10114	2.5
147.11690	1.3
157.10196	1.1
163.11179	4.5
181.10504	0.7
181.12056	1.0
184.07378	1.7
189.11240	0.7
193.12283	1.2
211.13339	1.5
219.10068	1.1
221.16031	0.7
222.45151	0.7
227.12834	2.8
243.08372	4.0
249.11031	5.8
285.16992	1.6
305.13577	1.5
368.29285	0.8
439.19324	1.0
453.20691	1.1
467.18915	9.8
469.20200	1.0
480.30420	1.6
551.28284	5.6
562.38330	2.2
629.77002	0.8
777.40216	100.0
778.40308	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	776.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
55.05508	39.6
57.03433	18.5
57.07069	2.2
59.04980	2.6
61.02917	3.5
65.03928	4.3
67.05499	100.0
69.03419	3.5
69.06712	1.4
69.07063	17.4
70.66858	1.7
70.67255	1.7
71.04990	4.9
73.02907	1.8
73.22472	0.8
76.79343	0.8
79.05485	45.6
81.03423	6.1
81.07050	57.3
83.04964	4.8
83.08608	18.1
85.02892	12.9
85.06523	2.6
86.09686	1.1
87.04451	5.2
91.03937	1.8
91.05470	25.5
93.07036	42.4
95.04971	7.2
95.08598	42.0
97.02880	3.2
97.06492	4.3
97.09536	1.2
97.10164	22.4
99.08080	2.1
103.03941	1.0
105.07030	15.8
107.04954	2.5
107.08589	29.0
109.06515	3.2
109.10147	49.9
111.04465	1.5
111.08072	2.9
113.09648	0.9
117.06995	6.9
119.08584	13.2
121.06586	1.1
121.10122	19.5
123.08082	2.4
123.11671	5.5
123.92110	0.9
125.09626	17.3
125.10526	1.3
129.06995	2.7
131.08569	11.4
133.10114	10.3
135.08049	1.4
135.11681	13.0
137.09619	2.5
137.13289	1.2
139.11206	2.7
143.08571	2.5
143.10696	2.9
145.10100	9.4
147.08063	1.3
147.11653	7.5
149.09563	1.4
149.13225	4.3
151.11253	1.2
153.12770	1.2
155.08603	1.2
155.10652	2.5
157.10114	1.4
159.11685	5.5
161.13211	4.4
163.11182	4.0
163.14828	2.9
171.11674	1.0
173.09592	1.5
173.11720	12.8
173.13255	5.9
175.11099	1.1
175.14795	1.9
177.16322	1.6
181.12204	1.9
184.07411	1.9
185.13264	1.0
187.14825	2.3
189.11197	1.8
191.10638	1.0
193.12238	3.0
199.13277	10.8
199.14848	1.5
209.11676	3.6
211.13210	1.1
217.14246	2.0
227.12801	7.2
229.14320	38.8
243.21109	3.4
245.13814	2.5
259.20490	1.4
261.22141	14.1
267.15912	3.7
271.20337	1.0
277.21710	1.5
283.15405	2.1
289.21429	1.5
301.16440	13.0
317.24768	1.8
327.23126	2.4
331.16528	0.9
335.25772	63.7
363.25183	1.2
451.32578	1.1
459.34747	1.6
477.35696	8.5
489.35822	15.2
519.02643	0.9
541.07520	0.9
543.36688	2.2
561.37793	5.6
577.91956	1.0
579.38831	2.0
774.22101	1.0
776.41797	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	776.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.4
55.05256	2.7
55.05507	39.3
57.03436	13.1
57.07081	1.7
59.04990	2.7
60.08161	1.8
61.02936	3.5
65.03931	3.2
67.05499	100.0
69.03424	5.0
69.07059	20.2
71.01352	2.2
71.04987	3.1
71.12933	3.5
72.08128	2.0
79.05053	3.1
79.05489	43.0
81.03407	9.1
81.07053	62.2
83.04974	6.8
83.08614	17.9
85.02901	14.8
85.06528	3.2
86.09702	8.0
87.04456	6.2
91.05474	29.2
93.07034	44.8
95.04948	6.8
95.08598	39.6
97.02888	6.0
97.06509	6.0
97.10158	20.5
99.44559	1.5
105.07012	14.0
107.08593	28.2
109.06521	3.7
109.10150	48.2
111.04436	2.3
111.08051	4.4
117.06992	7.8
119.08566	17.9
121.10121	22.6
121.10926	2.5
123.08010	2.6
123.11694	6.4
124.99999	5.9
125.09623	19.4
129.05412	1.6
129.07028	4.4
131.08543	11.0
133.10118	10.4
135.11696	11.5
137.09634	3.9
139.11172	2.8
143.08546	2.1
143.10620	3.7
145.10126	10.3
147.11667	6.9
149.09610	2.3
149.13272	5.5
149.70514	1.5
151.11082	1.8
155.08595	1.8
155.10619	4.2
157.10132	2.0
159.11687	7.0
161.13274	3.7
163.11197	6.2
163.14804	2.3
169.10013	1.8
171.11700	1.5
173.11729	12.3
173.13268	4.6
175.14809	2.7
184.07329	28.7
185.13301	2.4
187.14790	1.9
191.10629	2.6
199.13269	11.1
209.11696	4.6
217.14410	3.1
227.12752	4.1
229.14340	39.9
243.21046	4.1
245.13715	1.9
259.20416	2.1
261.22095	12.8
283.15359	2.9
299.14923	2.7
300.15350	1.7
301.16440	16.8
315.23117	1.9
317.24847	2.3
327.23203	1.9
335.25757	72.1
336.26178	3.2
337.26596	2.1
459.34952	2.0
477.35809	10.0
489.35785	12.3
504.49222	1.9
543.36481	2.5
561.37854	8.8
579.38965	3.2
755.59778	2.0
776.42242	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	776.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.3
55.05262	2.3
55.05510	38.2
57.03439	18.0
57.07066	3.9
59.04979	1.9
61.02921	4.2
65.03934	2.8
67.05501	100.0
69.03432	2.4
69.07059	20.1
71.01366	2.5
71.04990	5.3
71.61179	3.1
78.71770	1.8
79.05057	3.4
79.05489	51.3
81.03426	7.4
81.06570	4.1
81.07055	67.9
83.04973	6.1
83.08612	17.4
85.02902	16.3
85.06540	3.9
85.57935	1.8
86.09698	4.3
87.04450	7.5
91.05471	29.5
93.07038	51.4
95.04960	10.8
95.08600	42.0
97.02858	3.2
97.06495	3.9
97.10160	23.0
99.08140	2.0
103.03888	2.4
105.07030	17.9
107.08587	32.0
109.06545	5.3
109.10149	56.2
109.30635	1.8
111.08072	4.5
117.07009	6.0
118.41038	1.9
119.08599	15.4
121.10133	22.4
123.08099	3.4
123.11691	5.1
125.09615	25.6
129.06982	2.2
131.08546	14.9
133.10118	9.5
135.11713	13.7
137.09586	3.4
143.08537	2.7
143.10704	2.9
145.06470	2.2
145.10147	11.6
147.11679	7.6
149.09680	2.5
149.13274	6.7
151.11107	2.8
157.10121	2.3
159.11731	6.2
161.13326	4.1
163.11174	6.1
163.14822	2.7
173.11737	19.5
173.13226	4.8
175.11253	2.1
175.14864	2.7
184.07329	9.1
199.13286	13.4
209.11644	3.3
217.14253	2.7
227.12756	6.5
229.14320	50.1
229.16525	2.8
243.21034	6.7
245.13969	3.9
261.22168	12.3
263.81781	2.0
267.15891	4.4
268.12390	2.1
277.21912	2.5
283.15488	2.2
301.16425	18.5
317.24692	2.4
335.25784	74.0
477.35870	12.3
489.35934	16.4
543.36877	2.9
561.37701	7.6
776.42615	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	776.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
55.05510	13.2
56.05026	1.6
56.96570	1.4
57.03437	6.0
57.54654	0.8
60.83549	0.8
61.02923	7.5
65.03936	1.5
67.05501	15.5
68.05016	2.3
69.03432	11.7
69.07068	3.8
70.02968	1.6
70.06591	30.7
71.01371	1.3
71.04990	100.0
71.59796	1.0
71.60223	1.4
72.08150	3.8
73.02908	4.2
79.05489	20.0
80.05025	2.0
81.03415	17.9
81.07056	13.4
82.06593	2.1
82.07343	1.1
83.04984	4.9
83.08613	8.6
84.04487	1.3
84.08140	10.1
85.02898	16.5
85.06518	1.6
86.06060	7.9
86.09728	3.2
88.03996	4.9
91.03955	3.4
91.05478	16.7
92.05800	1.0
93.07042	10.5
95.04968	7.9
95.08618	5.2
96.08133	13.2
97.02904	8.7
97.06536	4.4
97.10158	11.7
98.06045	5.6
99.04440	1.6
101.02402	1.6
102.05556	1.0
102.09224	1.0
103.05454	1.2
105.07050	8.0
106.06564	3.9
107.04971	3.6
107.08580	8.6
108.08120	1.6
109.02904	2.6
109.06532	2.5
109.10134	5.6
110.07162	1.1
111.04422	1.1
111.08096	3.5
112.07619	6.1
114.09208	1.0
114.70224	0.9
115.05435	1.0
117.07046	2.3
119.08552	4.5
120.08130	2.4
121.06498	5.8
121.10159	3.7
122.06045	1.2
123.08096	2.3
124.07586	23.4
125.09605	9.2
126.09141	1.3
127.03988	2.3
129.07031	2.1
129.10202	1.1
131.08557	4.8
133.06511	2.1
133.10173	3.4
135.08063	2.8
135.11679	1.6
136.07570	2.0
137.05986	1.5
137.09622	1.4
138.09163	1.1
140.07091	2.3
141.07884	1.5
142.08638	15.4
145.02872	3.5
145.10144	2.4
147.04482	1.4
147.08098	1.9
147.11729	4.6
148.07562	1.6
149.09647	2.6
153.09122	1.2
157.10156	3.6
158.08095	10.0
163.03989	1.5
163.11206	2.6
165.09084	1.7
167.07097	1.8
170.08205	3.2
175.11266	2.5
177.05478	7.9
178.00804	1.0
189.11238	4.3
193.12204	8.5
210.15120	1.3
211.13324	5.4
227.12799	10.7
245.13976	1.2
248.16446	1.4
254.17523	2.5
267.15961	4.3
285.17010	4.8
314.13876	7.9
329.11362	2.4
346.97351	1.0
398.63065	1.2
437.25546	2.9
520.32648	2.0
564.35376	2.9
572.46558	1.1
582.35638	1.2
596.34320	4.1
614.35577	4.1
625.32544	0.9
726.40491	3.2
729.37195	1.1
752.77960	1.0
758.42242	3.5
776.40601	95.0
777.41827	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	774.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33976	1.4
55.01860	4.0
55.05508	18.2
57.03436	20.3
57.07066	1.7
61.02916	1.8
65.03921	2.1
66.04673	1.3
67.05500	67.7
69.03413	3.3
69.07062	14.2
71.04983	4.4
79.05489	43.9
79.82511	1.1
81.03412	88.4
81.06568	3.0
81.07049	61.4
83.04967	6.5
83.08614	24.1
85.06515	3.9
91.05475	39.1
93.07037	48.6
95.04968	31.6
95.08603	43.4
97.02869	3.2
97.06541	6.3
97.10162	8.5
99.08077	2.5
105.04539	1.3
105.07028	29.2
107.04976	8.3
107.08582	30.8
109.06505	4.3
109.10155	21.8
111.08073	8.5
115.05463	1.8
117.07030	9.7
119.04903	1.5
119.08588	23.3
121.06510	3.9
121.10134	23.9
123.08072	3.6
123.11700	6.2
125.09607	3.7
129.07008	11.9
131.08571	16.6
133.06456	2.9
133.10104	15.2
135.08073	2.3
135.11700	12.0
137.09616	3.0
137.13243	2.3
142.07706	2.5
143.08559	1.8
145.10104	10.1
147.08098	4.0
147.11685	12.0
149.09634	5.5
149.13217	6.9
157.10133	11.0
159.11694	8.2
161.13289	6.9
163.11159	1.7
163.14809	3.6
165.12772	2.2
173.13249	5.8
175.11183	11.2
175.14848	2.1
177.12733	1.7
179.14317	1.5
184.07260	1.8
187.14790	3.6
189.11201	4.0
193.12219	24.0
211.13248	2.3
223.13345	1.3
227.12772	6.4
243.21008	6.4
249.14830	2.2
261.09421	1.3
261.22153	19.6
267.15897	100.0
279.23166	1.9
285.22021	2.4
301.25278	6.0
309.17032	3.6
317.24731	3.2
335.25772	82.4
336.25989	1.8
386.03931	1.3
403.24515	2.4
421.25439	2.1
435.27255	1.6
435.32626	5.2
449.29095	1.8
453.33578	9.0
471.34387	4.1
527.37305	58.1
545.38287	41.8
546.38641	1.8
569.38165	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	775.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05513	3.1
57.03425	2.4
61.02923	5.4
67.05504	9.0
67.35735	0.7
69.03427	3.8
69.07064	4.0
69.31887	0.6
69.32230	7.2
71.04984	1.0
73.02917	3.7
74.90175	0.7
77.13979	0.6
79.05488	8.3
81.03420	4.9
81.07047	8.1
83.04974	1.0
83.08595	0.9
85.02908	5.2
86.09699	1.5
89.22955	0.7
91.03970	2.5
91.05480	7.7
92.05785	0.7
93.07036	5.1
95.04969	2.6
95.08610	4.8
97.02904	5.6
97.06548	1.8
97.10188	1.2
99.04462	0.8
99.87620	0.6
101.02391	2.2
105.07016	4.5
107.08595	2.5
109.06506	1.0
109.10157	1.6
117.07005	1.6
119.08532	3.1
121.10175	0.8
123.08089	0.9
125.09675	0.6
127.03927	1.6
129.07028	1.6
131.08571	1.3
133.10147	2.1
135.11710	1.1
137.09688	0.7
140.23531	0.6
143.08536	1.0
145.10123	1.5
147.11685	2.5
152.75195	0.7
161.13310	0.7
171.11790	0.9
184.07317	3.2
185.04202	1.0
243.08476	3.5
247.13126	1.4
261.95248	0.7
268.37775	0.7
333.20468	1.9
337.27478	0.8
406.93326	0.8
465.20840	8.2
551.28442	5.6
560.36676	1.0
582.27002	0.8
775.42334	100.0
776.42670	2.1
793.89343	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	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.3
55.05507	34.9
55.93521	2.3
56.89037	2.6
57.03436	19.7
57.07068	3.5
61.02920	6.1
65.03929	9.0
67.05502	88.3
69.03427	15.1
69.07066	34.2
70.06576	3.7
71.04987	15.3
71.05781	4.5
73.02911	5.2
79.05484	74.6
81.03411	95.6
81.07052	100.0
83.04974	27.3
83.08617	40.2
85.02908	33.1
85.06554	5.6
86.09709	6.6
91.03974	2.7
91.05473	83.9
93.07041	77.8
95.04971	43.9
95.08607	41.8
97.02860	13.0
97.06540	17.6
97.10152	10.5
99.04434	2.6
99.08121	6.0
105.07027	63.3
107.04951	18.3
107.08595	35.5
109.06505	13.4
109.10143	15.0
111.04436	4.8
111.08073	13.0
113.06051	3.3
115.05447	5.1
117.07014	19.7
119.08574	39.4
121.06515	6.1
121.10140	27.4
122.10606	2.3
123.08079	7.7
123.11744	6.8
125.00021	3.1
125.09639	7.3
127.03909	7.2
127.07516	2.9
129.07001	18.6
131.08577	35.0
133.06497	5.9
133.10123	37.4
135.08026	8.1
135.11655	16.6
135.27051	2.3
137.09621	6.8
141.05588	2.3
141.06946	3.8
142.07785	3.5
143.08566	4.6
145.06511	2.6
145.10123	17.9
147.08041	5.9
147.11676	32.8
149.09586	20.1
149.13286	16.7
150.09932	2.8
151.11082	3.3
152.79848	2.3
155.08609	4.8
157.10114	23.6
159.11655	15.7
161.13217	3.4
163.11191	10.3
165.09126	2.8
165.12758	7.7
169.10127	3.4
171.08023	2.6
171.11758	4.5
173.13341	6.6
175.11169	19.4
177.12787	6.8
184.07362	17.0
193.12236	54.4
195.13840	5.2
211.13269	75.1
227.12738	5.4
239.17862	4.7
255.15863	14.1
257.18988	6.6
267.15906	43.8
269.17438	47.9
270.34885	2.4
275.20044	23.2
283.15402	2.5
285.16956	86.8
286.17447	4.0
288.05930	2.9
293.21332	4.6
293.43469	2.4
349.23685	23.3
367.24701	5.2
413.21704	2.6
443.27982	3.9
447.27390	10.5
461.28979	40.9
462.05429	3.1
465.28558	19.0
479.30014	91.1
480.30154	6.2
541.35071	17.8
559.36444	23.2
623.33905	5.8
743.22339	2.7
775.38788	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	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	13.0
55.05508	44.7
57.03432	20.8
57.07060	4.0
61.02908	9.6
65.03904	4.4
67.05498	86.3
69.03412	14.8
69.07064	50.1
70.06550	4.4
71.04973	9.9
71.60298	6.2
73.02882	4.6
79.05058	6.5
79.05491	92.4
81.02982	2.6
81.03410	84.8
81.07051	100.0
83.04983	28.5
83.08609	32.8
85.02895	34.7
85.06552	6.1
86.09693	6.9
91.05476	91.6
93.07034	60.5
95.04956	42.0
95.08598	42.8
97.02865	11.4
97.06516	21.4
97.10155	17.1
99.04448	4.7
105.07015	68.9
107.04936	21.3
107.08577	47.6
109.06495	14.3
109.10151	25.2
111.08035	16.5
113.05968	4.3
115.05442	4.7
117.07030	22.1
119.08573	47.6
121.06491	6.3
121.10120	26.9
123.08051	9.4
123.11693	7.8
123.36505	3.5
125.09612	15.3
127.03886	7.3
129.07001	24.4
131.08572	32.6
133.06494	5.1
133.10110	38.7
135.08060	9.4
135.11664	14.7
137.09610	8.5
143.08606	5.2
145.04681	3.7
145.10071	19.8
147.08037	6.4
147.11653	29.1
147.17404	3.4
149.09599	27.2
149.13223	13.8
157.10085	20.4
159.11766	20.1
161.13235	8.2
163.11189	13.4
165.12729	5.0
169.10141	3.6
171.11690	7.9
171.13763	22.7
173.13243	7.9
175.11246	20.0
177.12660	5.6
179.14206	4.4
184.07353	20.3
185.13266	5.9
189.11177	11.1
191.72139	3.2
193.12228	57.9
211.13258	72.6
227.12718	26.3
239.17975	5.4
255.15933	16.2
257.18976	12.0
257.27219	3.8
265.18832	3.6
267.15948	44.3
269.17502	26.1
275.20010	45.5
285.16916	64.7
293.21072	6.2
348.67023	4.0
349.23743	42.2
367.24725	4.7
413.21732	4.2
447.27487	7.1
455.26437	4.9
461.28976	27.9
465.28714	19.7
479.30081	60.7
514.16895	3.9
541.35339	20.7
553.18549	4.2
559.36383	49.5
774.36554	6.8
775.37701	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	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05507	9.2
55.86070	1.1
57.03423	4.2
57.07064	4.8
57.72375	1.0
61.02924	13.3
61.77814	1.3
67.05504	22.8
69.03434	7.9
69.07061	9.2
71.01345	2.0
71.08622	3.6
73.02924	8.6
79.05492	13.9
81.03419	5.9
81.07055	19.3
83.04982	1.6
83.08621	6.0
85.02906	14.2
91.03955	6.3
91.05478	11.6
93.07036	13.6
95.04965	1.9
95.08600	16.7
97.02901	11.2
97.06490	1.6
97.10161	2.3
99.08097	1.3
101.02351	2.6
105.07032	12.3
107.08578	10.3
109.02915	2.3
109.10155	8.7
115.05379	1.6
117.07012	8.5
119.08577	12.7
121.10148	4.6
123.11731	1.5
127.03927	3.4
129.07019	5.7
131.08582	12.7
133.10118	8.4
135.11694	3.1
137.13251	1.4
141.06987	2.5
142.07715	1.4
143.08534	10.1
145.10126	10.5
147.11708	6.0
149.13306	1.7
155.08545	5.5
157.10130	11.1
159.11685	7.6
161.13228	3.5
167.08592	1.8
168.09312	1.3
169.10081	8.9
171.11673	8.0
173.13254	3.9
175.14851	1.6
181.10129	4.0
183.11700	5.3
184.07310	3.0
185.13252	6.4
187.14859	3.8
189.16426	1.4
195.11736	2.8
197.13260	4.4
199.14839	4.9
201.16338	2.3
209.13321	2.3
211.14835	2.9
213.16429	3.6
223.14922	2.2
225.16400	4.0
227.18021	2.9
229.19669	1.9
239.17886	2.1
241.19507	2.6
243.21214	1.5
251.17958	1.3
253.19479	1.9
284.17755	1.4
313.27213	1.4
353.28412	1.4
427.31787	1.3
472.31204	1.5
519.41779	4.6
537.42859	4.4
593.45428	8.9
611.46698	100.0
612.46960	2.0
635.45551	1.4
773.52332	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.8
55.05261	1.8
55.05506	25.0
55.67128	0.9
57.03433	15.1
57.07051	2.5
57.21630	0.9
59.04979	2.5
61.02913	4.6
62.15446	1.1
62.49887	1.1
65.03941	1.9
67.05500	52.7
69.03419	6.7
69.06716	1.5
69.07064	21.4
70.06609	1.2
71.01341	1.8
71.04987	7.7
73.02905	2.5
77.80889	1.1
79.05488	51.5
81.03415	25.6
81.07052	65.2
83.01333	7.7
83.04972	19.5
83.08613	21.7
85.02890	9.2
85.06538	4.3
86.09700	1.3
91.03989	1.2
91.05479	43.5
92.05822	1.3
93.07038	64.0
94.27567	1.0
95.04971	19.1
95.08046	2.1
95.08601	27.6
96.04473	1.9
97.02900	8.0
97.06522	14.1
97.10172	5.4
99.04424	2.3
99.08070	2.4
101.02345	1.2
103.05462	2.1
105.07025	33.2
107.04949	13.9
107.08582	34.2
107.70106	1.1
109.02864	1.2
109.06516	8.7
109.10141	12.8
111.04424	4.1
111.08070	6.6
113.06041	1.5
117.07012	17.1
119.08578	20.0
121.06508	7.1
121.10124	17.0
123.04529	1.0
123.08054	11.1
123.11704	2.9
124.00493	1.1
125.05971	2.0
125.09615	4.5
127.03883	3.1
128.06236	1.3
129.07019	6.5
130.07765	2.4
131.08556	17.3
131.75148	1.2
133.06473	2.8
133.10118	22.1
135.08058	6.8
135.11681	18.5
137.09592	4.1
139.07527	1.6
141.07010	1.6
143.08577	2.6
145.06454	2.1
145.10117	20.8
147.08031	5.0
147.11687	6.8
149.09618	9.0
149.13269	7.8
151.11182	3.8
153.12743	2.3
155.08545	2.2
157.10144	5.4
159.08011	1.4
159.11699	8.1
161.09627	2.4
161.13329	2.2
163.11179	25.5
165.09145	1.0
165.12761	1.8
169.10110	2.1
169.12204	1.3
171.11623	2.7
173.04417	1.9
173.09711	2.5
173.13235	2.8
175.11150	3.2
177.12746	3.3
181.12248	3.5
183.11584	1.4
184.07314	3.0
185.13206	1.2
187.11200	1.5
189.11217	2.9
191.10698	1.7
193.12254	7.2
195.13770	5.0
197.13136	1.2
209.11800	5.7
211.13223	7.1
227.12772	10.0
239.18103	1.2
250.95973	1.1
253.14352	8.7
255.15813	7.7
257.18976	5.6
267.15921	6.9
269.17438	27.2
273.18518	5.5
275.20047	18.4
283.15390	61.6
285.17053	5.7
287.05548	9.6
291.19586	10.1
293.21042	2.5
331.22580	1.3
347.21954	1.6
349.23764	11.7
365.23297	7.8
367.24698	2.4
413.21530	1.3
437.24930	1.9
453.24930	1.3
459.27197	3.0
463.26886	24.9
477.28455	100.0
478.28604	2.6
481.28104	2.1
539.33545	2.4
557.34698	22.2
575.35645	16.8
621.32941	2.4
707.83337	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	771.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05509	11.7
57.03439	4.3
57.07065	0.7
59.04998	0.6
60.27434	0.5
61.02921	14.9
65.03934	1.4
67.02281	0.5
67.05500	23.6
69.03424	7.8
69.07064	9.7
71.01347	1.3
71.04980	2.1
71.05611	0.8
71.05952	1.0
71.08640	1.0
73.02917	9.4
79.05486	17.1
81.03404	4.6
81.07051	20.7
82.07397	0.9
83.04981	1.4
83.08610	6.0
85.02895	13.6
85.06540	1.1
87.04448	0.7
90.02918	0.6
91.03953	5.4
91.05474	14.4
93.07034	17.4
93.71205	0.6
95.04967	3.8
95.08604	18.6
97.02888	12.1
97.06525	2.6
97.10171	3.4
99.04443	1.6
99.08085	1.2
101.02382	2.6
105.07021	11.9
105.07675	1.0
105.31026	0.6
105.40268	0.6
107.04959	2.5
107.08591	11.3
109.02879	1.3
109.06504	1.8
109.10151	7.1
111.04434	0.9
111.08083	1.6
114.02240	0.6
115.03918	0.8
117.07014	7.6
119.08573	13.0
120.41830	0.6
121.06525	0.7
121.10130	7.5
121.82655	0.5
123.08031	1.3
123.11680	1.8
125.09641	1.4
127.03898	3.1
128.06216	2.8
129.06996	10.6
129.07889	0.8
130.07809	0.6
131.08557	12.0
133.10120	10.4
133.11063	0.8
135.08064	1.0
135.11705	4.4
139.11176	0.7
141.06989	4.9
142.07753	1.8
143.08531	11.5
145.06544	0.7
145.10123	12.4
147.11670	6.2
149.02338	1.0
149.09668	0.7
149.13274	2.6
151.11198	0.7
153.06921	1.0
154.07692	0.6
155.08557	11.2
155.09834	0.7
156.09279	0.8
157.10124	11.5
158.10794	0.7
159.11670	8.8
161.13243	4.4
163.11162	0.8
163.14810	0.9
165.06972	1.5
166.07774	1.0
167.08546	4.1
168.09309	1.8
169.10118	12.2
170.10873	1.0
171.11690	10.1
172.12210	0.6
173.04492	1.0
173.13293	5.6
175.11171	0.8
175.14793	1.8
179.08568	1.4
181.08638	0.9
181.10123	5.9
182.10887	0.8
183.11676	11.8
183.13185	0.9
184.12392	0.7
185.13272	7.8
186.13747	0.6
187.14795	3.5
189.16316	1.2
193.04970	0.7
193.10094	3.2
194.10786	1.2
195.07985	0.7
195.11696	6.0
196.12370	1.1
197.13264	8.4
199.11447	0.6
199.13307	0.7
199.14845	4.8
200.95563	0.6
201.16467	2.1
205.10123	1.1
207.11736	3.7
209.13251	6.1
211.14806	6.5
213.16444	3.7
215.17975	0.8
219.11736	1.3
221.13344	2.4
223.14766	4.0
225.12805	0.6
225.16345	3.5
227.18025	1.8
233.13290	0.9
235.14780	2.3
237.16402	3.5
239.17990	2.0
241.19710	0.9
247.14882	0.8
249.16438	1.3
251.17973	2.2
253.19624	1.2
255.21339	0.7
261.16373	0.8
263.18011	1.0
265.19519	0.8
267.21124	0.6
275.17722	1.0
279.21130	1.2
293.22815	0.6
295.20209	0.7
309.22192	1.1
311.23779	1.4
321.22287	1.6
323.23627	1.2
337.25305	1.0
339.26947	0.9
351.27008	0.8
393.27673	0.9
421.30630	0.7
433.31137	0.8
447.32584	1.2
449.33154	0.6
467.36157	0.6
475.35773	0.7
499.39404	1.2
501.35651	0.8
509.35840	0.7
513.35901	1.0
515.37567	1.1
517.40430	7.1
521.36511	0.7
525.35339	0.8
527.37494	1.6
529.39838	0.9
530.38971	0.6
535.41357	2.9
536.40564	0.6
539.37280	2.0
540.38184	0.9
541.38812	1.1
545.38409	1.4
581.41101	0.9
591.44098	6.4
607.43610	2.0
609.45087	100.0
610.45593	4.3
612.47095	1.2
621.44568	1.4
633.45331	0.9
651.46185	1.0
699.45831	0.8
717.47113	1.4
735.48492	1.1
753.49182	1.9
771.50391	17.6
772.51135	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	770.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	13.5
55.05290	3.3
55.05502	33.2
57.03412	12.8
57.07067	3.7
61.02918	5.3
65.03912	4.6
67.05496	87.2
69.03403	10.8
69.07060	33.0
69.26942	37.9
71.04962	3.5
79.05484	100.0
81.03408	27.2
81.06579	3.9
81.07047	67.5
83.04968	23.3
83.08630	18.8
85.02868	4.6
85.06509	4.4
86.09710	3.5
91.05473	84.5
93.07030	87.7
95.04969	31.9
95.08595	45.6
97.02882	6.5
97.06541	22.4
97.10148	15.2
98.21587	6.1
99.04459	3.2
105.07013	67.2
107.04945	18.0
107.08582	48.3
109.06536	8.9
109.10132	24.0
113.09762	3.1
115.05451	3.4
117.06992	23.0
117.34943	3.1
119.08561	38.8
121.06480	11.4
121.10146	16.9
123.08027	3.8
125.09636	9.7
129.06989	20.7
131.08546	20.9
133.06465	3.6
133.10133	32.3
135.08020	6.4
135.11655	21.7
135.24367	3.2
141.06949	4.8
143.08546	12.3
145.10091	20.9
147.08015	4.0
147.11678	38.1
149.09598	13.2
149.13263	8.9
151.11172	4.5
159.11656	13.0
161.09642	7.7
161.13226	14.2
163.11217	19.8
165.12857	3.9
171.11670	26.1
173.04356	3.8
173.13129	5.2
177.12810	4.6
179.14230	6.1
181.12135	3.8
189.12701	11.1
207.13783	35.2
227.12753	31.7
239.17921	5.4
253.14301	16.7
255.16040	3.9
257.18970	8.8
267.15881	4.0
269.17465	14.7
273.18430	5.5
275.20041	34.3
279.94174	3.5
281.17435	83.1
283.15381	11.4
291.19403	6.4
307.31158	3.3
349.23749	23.4
365.23071	6.2
451.27023	7.9
459.31018	4.2
461.28836	19.0
475.30515	79.6
479.26270	6.2
555.36792	48.4
573.34448	15.0
619.34399	5.0
764.76855	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	771.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
55.05254	0.8
55.05507	10.9
57.03428	4.8
57.07064	1.8
61.02922	16.8
63.21444	0.5
65.03934	1.5
67.05498	21.6
69.03072	0.7
69.03426	8.7
69.07060	10.3
69.47282	2.6
69.47696	1.1
71.01349	1.0
71.04980	1.9
71.08634	0.5
71.69795	0.4
73.02542	0.8
73.02916	8.7
74.36984	0.4
76.39389	0.5
77.03915	0.6
79.05484	14.2
81.03408	4.6
81.07047	19.4
83.01315	0.5
83.04977	1.5
83.08614	5.5
85.02415	1.0
85.02899	12.3
85.06525	0.8
87.04428	0.5
91.03944	6.6
91.04893	0.6
91.05470	13.6
93.07036	15.5
95.04971	2.3
95.08600	17.1
97.02885	11.5
97.06531	1.6
97.10155	2.3
98.21413	0.9
99.04453	1.8
99.08100	0.9
101.02364	2.4
103.05497	0.6
105.04451	0.6
105.07018	13.4
105.78594	0.5
107.04957	0.7
107.08588	10.4
109.02866	0.9
109.06500	0.7
109.10148	7.2
109.59225	0.5
111.08095	1.3
115.03923	0.8
115.05457	1.4
115.33960	0.4
117.07005	8.1
119.08569	11.2
121.10130	5.9
123.08086	1.0
123.11712	1.6
125.09630	1.2
127.03911	2.8
128.06232	2.2
129.06993	9.7
129.12798	0.4
130.07758	0.6
131.08549	11.9
133.10120	8.6
133.11086	0.8
135.08087	0.7
135.11700	4.5
137.13251	1.0
141.06963	3.5
142.07790	1.9
143.08545	12.3
144.09343	0.6
145.10106	10.0
147.11678	4.9
149.13252	1.5
153.06992	1.1
154.07800	1.2
155.08537	9.2
156.09346	1.6
157.10123	10.7
158.10925	0.8
159.11690	7.7
161.13245	3.4
163.14827	1.4
165.07039	0.8
166.07808	0.8
167.08560	4.4
168.09337	1.2
169.10126	13.0
170.10883	1.0
171.11679	10.4
173.09767	0.6
173.13231	5.6
175.14835	2.2
177.12779	0.7
177.16307	0.5
179.08542	2.1
180.09383	0.7
181.10112	6.7
182.10876	1.2
183.11667	9.9
184.12315	0.6
185.13216	7.2
187.14777	2.8
189.12833	0.8
189.16423	0.8
191.08604	0.5
193.10129	2.6
194.11032	0.7
195.11694	7.7
196.12462	1.1
197.13252	8.5
198.14006	0.6
199.11319	0.7
199.13312	0.7
199.14824	4.6
201.16360	1.8
205.10161	1.0
207.11626	2.7
208.12419	0.9
209.13249	5.3
211.14815	6.5
213.16386	2.8
215.18018	0.8
219.11722	1.0
221.13214	3.1
223.14841	4.5
225.16374	3.6
227.18047	2.3
233.13228	1.4
234.14030	0.5
235.14896	2.5
237.16386	3.4
239.17924	2.6
241.19658	1.1
247.14809	1.3
249.16357	1.5
251.17928	2.3
253.19469	0.8
257.18991	1.0
263.18082	0.7
265.19522	1.3
267.21271	0.9
269.18851	0.7
279.17447	0.5
279.20987	0.7
283.20486	0.8
297.22006	0.8
309.22061	0.9
321.21741	0.6
323.19986	0.6
323.23511	0.8
325.25259	0.8
327.23047	0.7
333.24768	0.6
335.23431	0.9
337.25354	1.0
341.24789	0.6
349.25229	0.9
351.26855	1.1
353.24603	0.8
355.26489	0.6
363.26614	1.2
365.28470	0.8
377.28363	1.0
379.30203	0.9
381.27753	0.5
391.29803	0.7
393.27344	0.7
405.31589	0.8
407.28860	0.7
421.90710	0.6
447.32220	1.1
449.33615	0.8
451.32596	0.5
467.36011	0.5
475.34573	1.1
485.33109	0.7
499.39423	1.3
501.35526	1.0
513.35406	0.7
515.37360	0.6
517.40631	6.2
523.37836	0.5
525.35449	0.8
527.37000	0.7
535.41553	3.0
539.37213	1.7
541.38879	1.6
545.37811	0.6
555.41998	0.8
573.42969	0.8
591.44080	6.7
593.44763	0.6
607.43408	1.5
609.45074	100.0
610.45129	3.7
611.46185	0.8
621.44720	1.5
633.44965	0.8
675.45752	0.6
717.46344	0.8
735.47687	1.1
753.49158	1.8
771.50739	15.6
772.50812	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	770.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.7
55.05505	30.1
57.03434	10.9
59.04980	4.3
61.02913	3.4
61.03235	0.9
65.03920	2.4
65.87701	0.9
67.05499	40.1
68.05824	1.3
69.03078	1.1
69.03419	11.1
69.07063	33.1
69.80629	6.3
70.22926	0.9
71.01333	1.1
71.04987	4.5
72.19814	0.8
73.06567	1.1
79.05485	37.1
81.03407	17.9
81.06573	1.9
81.07047	35.4
83.01339	7.6
83.04974	13.3
83.08135	1.3
83.08608	18.6
85.02892	7.1
85.06545	1.4
91.03919	1.7
91.05472	31.9
93.07032	36.3
94.07344	1.3
95.04958	16.0
95.08594	15.1
97.02876	13.3
97.06529	5.8
97.10152	12.7
99.04436	1.9
103.05421	1.0
105.07018	23.4
107.04952	12.7
107.08582	21.1
109.02836	2.3
109.06513	8.1
109.09525	1.2
109.10149	10.5
111.04418	1.7
111.08057	2.6
115.05457	1.5
117.07012	14.4
119.04909	1.9
119.08572	19.0
121.06513	6.6
121.10130	11.1
123.08054	9.7
125.05997	2.1
125.09624	9.2
128.06212	1.0
129.07001	6.2
130.07782	2.0
131.08543	9.9
133.06464	3.8
133.10120	8.7
135.08023	5.2
135.11684	11.3
137.09599	2.5
143.08546	3.7
145.06421	1.5
145.10114	15.8
147.08035	6.3
147.11661	3.4
149.09579	3.3
149.13268	1.3
151.11162	1.5
153.09116	1.0
153.12732	2.7
155.08511	2.7
157.10112	2.6
159.07965	1.2
159.11702	3.0
161.09578	4.1
162.10402	1.4
163.11157	17.1
165.09122	2.0
168.09238	1.0
169.09982	1.2
171.11617	2.3
173.09602	2.5
175.11287	1.6
177.12724	2.7
187.11090	1.0
189.11182	3.2
191.10667	2.5
193.12213	1.4
204.07442	1.0
205.12209	2.1
207.13879	1.5
209.11691	4.6
223.13249	16.6
227.12723	7.9
237.16624	1.1
245.19083	1.2
249.14848	3.7
253.14328	1.5
255.17482	1.3
267.15842	2.6
273.18454	15.1
275.20074	2.1
281.17349	1.5
283.15366	67.0
291.19516	100.0
292.19791	2.2
332.93201	0.9
347.22260	1.9
349.23807	1.0
365.23181	42.4
366.23462	1.4
493.27780	2.7
510.11243	1.1
541.35040	3.4
555.32745	2.2
573.34167	85.5
574.34406	3.8
598.71710	1.0
607.43433	1.6
608.43842	3.6
683.67389	1.2
770.49298	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	763.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
57.03429	2.1
60.08181	0.8
61.02924	5.3
66.83691	0.5
67.05495	4.6
68.05486	0.5
69.03428	3.3
69.07061	1.5
70.06594	0.6
71.04996	0.8
71.60306	0.6
71.60738	0.8
73.02913	3.8
73.64587	0.4
73.68920	0.5
79.05478	4.8
81.03426	3.2
81.07047	4.8
83.04982	1.3
83.08617	1.1
84.00142	0.5
85.02897	6.2
86.09699	2.5
91.03939	3.1
91.05476	5.3
92.05885	0.5
93.07043	5.6
95.04977	1.9
95.08632	2.3
97.02881	4.6
97.06546	0.7
99.04443	1.4
101.02390	1.8
104.10764	0.7
105.07022	4.8
107.08600	2.5
109.02875	0.7
109.06535	0.5
109.10158	1.3
117.07016	1.1
119.08569	3.3
121.10152	2.1
123.08079	0.6
125.00015	1.5
127.03955	1.3
129.05516	0.7
129.07027	0.6
131.08621	1.6
133.10147	1.8
135.11726	0.9
145.10115	0.9
147.11722	1.4
149.13303	0.6
156.59999	0.6
157.10201	1.0
163.11119	0.6
184.07327	6.4
185.04245	1.2
185.07785	0.8
185.13301	0.6
193.12332	0.8
203.05313	0.7
225.19475	0.5
243.08423	3.1
251.12564	1.6
301.09039	1.2
315.10574	1.4
326.01920	0.5
349.16531	0.5
465.21042	0.8
469.20370	6.9
474.58453	0.6
535.28802	8.7
541.22632	1.3
745.44580	0.7
763.42303	100.0
764.42456	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	763.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
57.03429	2.1
60.08181	0.8
61.02924	5.3
66.83691	0.5
67.05495	4.6
68.05486	0.5
69.03428	3.3
69.07061	1.5
70.06594	0.6
71.04996	0.8
71.60306	0.6
71.60738	0.8
73.02913	3.8
73.64587	0.4
73.68920	0.5
79.05478	4.8
81.03426	3.2
81.07047	4.8
83.04982	1.3
83.08617	1.1
84.00142	0.5
85.02897	6.2
86.09699	2.5
91.03939	3.1
91.05476	5.3
92.05885	0.5
93.07043	5.6
95.04977	1.9
95.08632	2.3
97.02881	4.6
97.06546	0.7
99.04443	1.4
101.02390	1.8
104.10764	0.7
105.07022	4.8
107.08600	2.5
109.02875	0.7
109.06535	0.5
109.10158	1.3
117.07016	1.1
119.08569	3.3
121.10152	2.1
123.08079	0.6
125.00015	1.5
127.03955	1.3
129.05516	0.7
129.07027	0.6
131.08621	1.6
133.10147	1.8
135.11726	0.9
145.10115	0.9
147.11722	1.4
149.13303	0.6
156.59999	0.6
157.10201	1.0
163.11119	0.6
184.07327	6.4
185.04245	1.2
185.07785	0.8
185.13301	0.6
193.12332	0.8
203.05313	0.7
225.19475	0.5
243.08423	3.1
251.12564	1.6
301.09039	1.2
315.10574	1.4
326.01920	0.5
349.16531	0.5
465.21042	0.8
469.20370	6.9
474.58453	0.6
535.28802	8.7
541.22632	1.3
745.44580	0.7
763.42303	100.0
764.42456	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	761.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01869	0.5
55.05505	0.9
57.03422	1.8
59.05002	1.5
61.02924	4.0
67.05503	2.7
68.43298	0.3
69.03424	2.8
69.07066	0.6
71.04994	2.5
73.02902	2.9
74.56532	0.4
79.05489	3.6
79.57635	0.4
81.03416	7.0
81.07056	3.1
83.04981	0.7
83.08625	1.4
85.02901	4.6
85.06525	0.8
87.04477	1.0
91.03944	2.7
91.05466	3.9
93.07039	2.6
95.04939	2.5
95.08607	1.3
97.02905	3.1
97.06535	0.9
99.04471	0.8
101.02391	1.7
103.03966	0.5
105.07032	2.1
107.04981	0.5
107.08608	2.7
109.02868	0.9
109.06535	0.7
109.10220	0.5
111.08091	1.0
114.92766	0.4
118.38108	0.4
119.07407	0.4
119.08600	2.4
121.06480	0.4
121.10154	2.4
123.08059	0.8
127.03951	1.1
129.07036	1.4
131.08574	1.5
133.10100	1.8
145.10178	0.4
147.11638	1.9
149.09630	3.7
150.24136	0.3
157.10146	1.3
165.12761	0.6
175.11238	1.4
193.12210	2.5
197.15414	1.0
225.14957	1.1
229.22589	0.4
243.08394	2.6
253.14043	0.4
267.15970	1.8
283.06485	0.7
283.15137	7.0
339.17801	2.0
441.21155	0.6
469.20486	1.0
477.15244	0.5
501.23053	27.2
599.34155	1.1
761.39246	100.0
762.39484	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	761.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01842	0.9
57.03420	0.7
58.82174	0.7
61.02922	1.7
64.39123	0.8
67.05482	3.2
69.03406	2.0
69.07045	1.5
69.15044	0.7
69.45766	2.7
69.46193	4.3
70.06570	3.2
71.04977	1.0
72.08136	0.9
79.05498	4.0
81.03411	5.5
81.07031	3.6
83.04969	1.0
84.08134	1.1
85.02886	3.0
86.09695	1.4
86.43716	0.8
91.03957	1.2
91.05453	2.7
93.07043	3.6
94.06536	2.5
95.04958	2.3
95.08588	1.5
97.02856	2.0
97.06506	1.6
103.05452	1.7
105.07021	2.4
107.04922	0.8
107.08588	1.4
108.08112	3.4
109.10147	2.5
114.13647	0.8
118.06495	1.1
119.08578	1.3
120.04473	2.0
120.08076	12.5
121.10146	1.4
122.05997	4.9
122.09624	1.5
127.03896	1.5
131.08595	0.9
133.10165	0.9
136.07552	5.9
137.05992	1.0
138.09111	0.9
146.06013	2.0
147.11662	1.0
148.07544	22.0
150.09140	2.4
153.01794	4.6
162.09171	1.1
164.07048	1.4
165.09192	0.9
165.12968	0.7
166.08592	1.8
172.03983	1.3
172.28215	0.7
175.11102	0.9
180.10173	1.0
190.04930	1.9
193.12213	1.4
194.12474	0.8
196.09692	0.8
204.06514	1.9
209.10681	1.0
212.09343	0.9
223.08739	1.0
223.12317	0.9
225.05794	0.9
225.10286	3.1
227.11841	3.0
231.61327	0.7
236.09457	1.7
237.10172	7.2
237.27632	0.8
238.10980	1.7
239.08076	1.1
239.11816	1.5
241.09735	1.6
248.09492	1.0
249.10262	4.3
250.10963	2.1
251.08199	2.9
251.11786	5.9
252.08760	1.5
252.12485	1.6
253.09702	4.6
253.13536	1.2
255.11139	3.8
261.10263	2.9
262.10959	1.1
263.11804	5.7
264.08875	0.9
265.09677	8.1
266.10547	1.3
267.11319	5.0
267.15894	1.7
269.12836	2.9
271.10596	1.8
275.04547	0.8
277.09647	1.8
278.10519	3.2
279.07687	2.3
279.11304	10.3
280.11987	1.4
281.09293	2.5
281.13025	2.1
283.10788	5.6
285.09860	1.0
287.13873	1.2
289.09613	6.8
290.10202	1.2
291.11154	5.4
292.12228	0.9
293.09171	2.3
293.12820	4.1
294.10004	2.6
295.10635	4.1
296.11560	2.4
297.08640	1.1
297.12390	2.0
299.20377	0.8
306.09683	1.4
307.10846	3.4
308.11679	1.6
309.12283	1.8
311.10278	5.8
311.13934	2.6
312.11038	3.1
313.11813	1.2
314.12527	0.9
315.13425	1.7
317.09277	1.4
323.10431	1.4
323.13943	3.3
324.11060	2.5
325.11737	1.4
326.12634	3.8
327.13281	4.5
333.12341	1.0
335.10162	11.5
339.05234	1.9
339.10013	1.3
339.13361	37.0
340.10669	3.7
340.13989	1.4
342.12234	1.0
345.16324	0.9
351.13394	1.8
352.10657	1.2
354.12012	5.2
355.08917	1.3
355.12820	10.1
355.16772	1.0
356.13651	1.6
367.12830	21.9
370.15451	1.2
381.14374	0.8
385.13913	1.1
386.14679	1.6
398.14801	1.4
399.15750	1.7
414.17957	1.2
416.16095	1.3
442.17645	1.4
446.17099	1.1
458.16705	1.8
461.19293	1.0
462.20444	1.0
467.27655	0.8
470.16931	1.9
474.19986	2.6
477.15213	5.3
501.23392	1.2
502.19724	2.7
506.19476	1.1
520.20667	2.4
521.21558	1.5
530.19397	2.6
534.22272	2.5
551.19427	1.1
562.21765	13.6
574.18140	9.1
578.21014	2.5
606.20734	100.0
607.21094	6.1
624.21783	1.1
638.23431	4.6
639.23810	1.6
653.26215	1.2
657.30975	1.0
658.77148	1.0
697.25183	4.6
734.16351	0.9
761.34985	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	759.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.05507	2.0
57.03428	1.7
57.21960	0.5
61.02927	4.3
65.03947	0.6
67.05505	6.9
69.03419	2.8
69.07060	2.1
69.71162	3.0
71.05006	0.7
71.37131	0.6
73.02904	2.9
79.05483	7.6
81.03416	3.6
81.07053	6.0
83.04969	1.5
83.08618	1.5
85.02897	5.2
86.09708	1.6
91.03954	3.0
91.05463	5.2
93.07034	7.0
95.04986	2.2
95.08607	4.4
97.02879	4.2
97.06550	0.7
99.08087	0.6
101.02399	1.4
105.07025	3.6
107.04948	0.9
107.08584	3.6
109.10149	1.0
117.07021	1.7
119.08591	2.9
121.10153	1.9
125.09678	0.6
127.03907	2.0
129.07011	1.7
131.07594	0.6
131.08534	1.5
133.10135	2.9
135.11702	2.2
143.08607	0.8
145.10141	1.6
147.11647	3.0
157.10161	0.6
159.11671	1.0
159.78732	0.6
161.13295	0.9
171.11656	1.5
184.07362	2.8
185.04250	0.9
193.12349	0.7
194.16599	0.6
200.45650	0.6
243.08330	3.0
246.94507	0.7
247.13112	0.9
287.52405	0.6
302.16891	1.0
335.25885	1.9
342.71063	0.7
465.21021	12.0
495.21738	0.8
535.28809	6.4
537.23138	1.3
551.25488	0.9
562.38379	2.1
629.13892	0.6
759.42828	100.0
760.42865	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	759.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05492	1.8
56.96553	0.7
58.40060	0.6
61.02915	1.1
62.04060	0.5
65.03925	0.6
67.05499	5.0
68.05833	0.5
69.03409	1.3
69.07059	1.1
69.45712	4.1
69.46118	1.0
70.06583	1.6
73.02912	0.6
79.05479	1.9
81.03399	2.2
81.07045	3.0
82.30459	0.5
83.04959	0.6
85.02885	2.5
86.09690	1.7
87.04436	0.6
91.03934	0.6
91.05444	1.3
93.07029	2.2
94.06550	2.2
95.04950	1.4
95.08595	2.0
97.02884	1.7
97.06515	0.9
97.10146	0.9
98.21455	0.9
105.07024	1.4
107.08580	1.6
108.08102	0.9
109.06491	0.6
109.10146	3.0
116.04941	1.6
119.08547	1.5
119.30770	0.6
120.04468	0.5
120.08101	2.5
121.10152	0.9
122.06017	7.8
124.07567	1.2
125.09640	1.3
133.10085	0.6
135.11658	0.7
136.07562	6.0
137.05908	0.6
140.07104	1.2
142.05621	0.5
144.04448	4.0
145.10133	0.9
148.07567	2.8
149.01227	0.7
149.09529	0.6
150.05479	1.5
150.22746	0.5
160.07645	1.0
162.05513	1.8
164.06985	0.5
168.06586	1.7
171.43102	0.7
172.03925	20.0
172.07507	1.5
176.07010	0.5
182.08086	1.7
184.07343	3.1
185.10719	1.7
187.12270	0.7
190.04990	3.9
197.08278	0.8
198.09149	1.8
199.08588	1.1
199.12276	1.2
201.10292	2.9
204.06540	28.9
207.72150	0.6
212.10753	2.0
213.10149	3.1
214.10922	1.3
215.11736	3.2
217.07332	0.7
218.07968	1.1
224.07071	0.6
225.10094	3.4
227.08113	1.8
227.11826	1.1
228.12624	1.6
229.09669	2.3
229.13115	1.0
230.14563	1.0
235.08629	0.7
239.11736	1.3
240.10210	1.1
241.09657	5.3
241.13261	4.1
242.08009	1.2
242.10428	11.3
243.11227	4.0
244.12038	1.4
251.11757	1.8
255.11282	2.0
256.12021	10.2
257.12811	10.1
258.11169	1.2
258.13593	2.3
267.11365	1.1
269.09238	1.0
271.14395	1.3
272.12796	0.9
278.10547	0.9
279.11148	3.5
284.11554	6.3
285.12592	2.7
287.10349	1.4
289.15442	4.9
299.13980	0.9
301.11728	0.6
302.12650	3.6
302.15869	0.6
307.10709	2.5
316.14359	0.7
317.14926	100.0
318.15314	1.0
325.12012	1.5
329.11203	1.9
339.13379	6.7
367.12943	0.7
411.11765	9.6
429.12753	3.1
443.14377	2.5
476.17972	2.0
488.17813	1.6
508.20587	0.7
639.28088	1.7
655.27393	5.3
683.27014	3.4
695.22595	0.9
727.25861	5.5
759.37579	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	759.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96639	0.6
56.96555	9.1
64.69446	0.6
69.56950	5.2
73.17520	0.6
76.61601	0.6
77.54780	0.6
84.96040	4.3
98.97570	47.3
102.17664	0.7
106.46622	0.6
110.96805	1.1
110.97546	13.1
116.98607	33.3
124.99055	1.2
128.98592	26.8
131.00137	1.6
134.99661	11.1
140.00192	1.0
140.98599	4.2
143.00145	8.3
145.01674	0.7
146.99637	23.1
147.04439	0.8
149.01176	1.3
152.98558	1.9
153.00684	1.1
158.99635	20.9
161.01208	12.8
165.00670	2.7
169.74918	0.7
170.99631	32.5
173.01195	1.1
174.99126	1.3
177.00705	26.6
179.02303	1.7
182.99632	12.9
189.00684	49.7
191.02173	1.5
194.99680	1.3
195.01727	2.3
201.00677	58.1
203.02243	1.2
207.01744	6.3
210.81978	0.7
212.02232	1.5
213.00645	4.3
219.01740	54.4
220.02136	1.0
224.02324	1.5
224.19244	0.7
231.01772	7.5
237.02792	32.0
239.59322	0.8
242.03333	1.2
243.01746	24.1
249.02719	0.8
254.99417	2.4
255.03819	3.3
260.04639	0.8
261.02792	100.0
262.03082	1.0
273.00351	1.8
273.02838	5.6
279.03851	61.8
280.04288	1.0
291.03851	18.7
297.04834	2.2
302.05396	1.9
303.03763	1.3
309.04816	2.4
321.04889	33.4
324.70129	0.8
333.04849	4.5
351.05878	12.4
363.06113	1.7
381.06992	16.2
381.11609	1.3
399.08047	18.5
417.04684	81.8
418.04684	1.3
422.09927	1.1
423.08548	0.7
435.05829	13.3
441.09109	88.7
442.09549	2.2
453.09238	2.2
458.07114	1.8
471.10083	2.8
501.11142	4.1
543.12256	2.3
636.23639	0.7
723.18231	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	759.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37323	0.7
55.05503	1.3
57.59916	0.6
60.65948	0.8
67.05509	3.9
69.03432	0.7
69.07054	1.5
70.06589	1.1
79.05487	5.1
80.05006	0.8
81.03412	3.9
81.07047	2.5
82.03757	0.7
83.08596	1.2
84.08128	0.8
85.02895	1.0
91.05473	2.8
93.07039	3.1
94.06561	3.6
95.04955	2.5
95.08601	1.6
96.08123	0.8
97.02872	0.8
97.10167	1.6
97.21944	0.6
103.05441	1.8
105.07006	1.3
107.07338	1.3
107.08598	0.9
108.08118	4.9
109.06498	0.7
109.10133	1.7
113.84122	0.7
118.06573	1.3
119.08581	1.0
120.08093	14.0
121.10123	1.6
122.06017	20.5
122.06882	1.1
122.09660	2.6
123.96943	0.7
125.09607	1.0
134.05963	1.7
136.07568	14.3
138.09163	1.0
145.10208	1.0
148.07556	31.7
149.09644	0.9
150.09091	3.4
152.99234	0.7
157.94525	0.7
164.07019	0.8
166.08664	3.9
177.79533	0.7
195.09189	1.0
209.10733	3.5
221.10771	0.9
223.08740	1.5
223.12408	1.3
225.10236	2.1
235.08684	4.1
236.09412	6.5
237.10201	22.6
238.11072	1.6
239.08313	0.7
239.11641	0.8
247.08566	0.9
248.09372	1.5
249.10208	18.8
250.07484	1.1
250.11015	4.7
251.08284	2.1
251.11769	7.1
252.08864	1.7
253.09703	4.3
255.11200	1.3
261.10229	2.3
263.08234	2.3
263.12054	0.9
264.08936	13.6
265.09708	11.9
266.10559	2.4
267.11368	5.0
267.15839	1.2
269.09177	0.9
276.08868	1.1
277.09683	16.6
277.12436	1.1
278.07553	1.4
278.10547	6.1
279.07755	2.3
279.11249	16.7
280.11884	1.7
281.09238	4.3
281.12573	1.3
283.10864	1.0
287.05630	2.9
287.70416	0.7
289.09570	1.4
291.07666	2.1
291.11185	1.3
292.08493	2.2
293.09229	49.2
293.12814	7.5
294.09778	1.5
295.10730	4.3
297.08725	1.1
297.12250	1.0
299.10547	1.0
305.09180	11.5
305.12457	0.9
306.09912	1.2
307.10767	14.6
308.11322	1.0
309.08661	4.3
309.12405	4.2
310.09875	1.1
310.13370	1.2
311.10336	4.2
311.13922	1.8
312.11200	2.2
313.11920	2.8
314.12869	0.9
315.13528	1.0
318.91873	0.9
319.10760	2.1
321.12320	1.7
322.13370	0.8
323.10208	9.4
323.13556	1.2
324.11108	1.9
325.11758	5.0
326.12894	2.0
327.13632	2.4
328.14301	1.7
329.15167	0.9
333.08633	7.3
335.10175	1.2
337.11838	3.7
338.12787	2.0
339.09540	1.6
339.13364	10.9
340.14795	1.1
341.11575	1.1
342.12305	2.0
342.15948	2.2
343.13217	2.2
344.14093	1.0
351.09711	28.1
352.10648	1.1
353.11285	3.7
353.15091	3.2
354.12274	3.3
354.16187	1.1
355.13000	3.8
356.14017	3.2
356.17969	1.1
357.14813	2.4
358.15439	1.3
364.14581	1.1
365.11389	4.4
366.12009	6.9
366.16086	1.3
367.13312	1.7
368.14008	2.4
369.14597	1.3
370.11713	2.3
370.15625	2.8
371.12357	5.6
372.17172	1.7
382.11432	1.6
382.15692	2.4
383.12354	7.7
383.16360	1.0
384.13120	1.9
384.17090	2.1
385.13940	5.4
386.14789	1.2
392.13843	0.9
395.12314	0.8
396.13303	1.3
397.13980	6.1
398.14764	3.5
398.19138	1.4
399.15857	1.1
400.16544	2.8
402.14185	0.8
410.15051	1.7
412.16498	2.1
414.14099	0.9
416.15659	1.0
428.15939	7.1
430.17905	1.5
432.19470	1.3
438.14441	3.4
440.16000	1.2
442.17996	1.0
444.19733	1.3
446.17123	1.1
456.15515	6.2
457.16299	1.3
458.17038	2.5
459.27173	0.9
460.18668	4.3
461.28314	1.1
470.17407	1.2
472.18573	1.3
474.19519	1.0
476.17889	3.4
478.28653	1.0
479.29370	1.9
486.16412	2.3
488.18079	11.4
490.19806	1.2
508.06516	0.8
518.19141	1.3
520.20831	4.7
532.20300	1.1
550.21899	1.8
551.22296	4.8
560.20520	1.7
561.20862	1.5
564.19409	6.3
578.21552	2.0
591.22339	2.9
592.22803	21.4
592.31775	1.3
593.23608	16.4
595.25226	1.3
604.19293	2.2
605.20068	8.0
606.20868	1.9
619.21442	1.5
622.20227	3.6
623.25098	3.7
636.21869	43.4
637.22601	100.0
638.22925	3.2
651.24731	1.6
683.26776	8.7
695.23419	2.5
709.24634	1.3
727.25641	7.7
759.38293	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	758.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.05518	20.7
57.03432	15.2
60.08158	8.6
67.05506	46.5
69.03448	5.6
69.07070	15.7
71.05004	7.4
71.07381	6.6
71.60526	8.1
72.02962	4.3
72.04551	4.5
76.26208	5.3
79.05487	51.4
81.03413	32.9
81.07059	48.7
83.05001	10.5
83.08615	14.3
85.02914	16.9
86.09703	34.2
91.03951	4.0
91.05472	57.6
93.07045	47.8
95.04977	18.1
95.08614	27.3
97.02910	8.9
97.06553	6.6
97.10170	8.0
104.10797	9.4
105.07025	48.1
107.04953	8.6
107.08602	26.4
109.10175	10.3
111.08060	10.7
117.07021	12.2
119.08563	39.0
121.10146	20.0
125.00000	18.0
125.09609	7.1
127.82990	5.2
129.07010	10.2
131.08571	18.4
133.10106	41.2
135.11697	10.7
138.53018	4.7
143.08577	7.8
145.10161	17.1
147.08066	4.8
147.11674	43.2
149.13284	5.6
155.08585	4.4
157.10098	12.0
159.11720	6.8
161.13277	17.7
171.11768	6.0
173.13286	8.3
175.11183	4.5
175.14806	7.6
181.10043	4.1
184.07335	100.0
184.08961	5.1
185.13290	8.9
193.12285	25.9
197.15401	4.4
211.13268	22.5
222.52359	4.2
231.21011	5.4
241.19524	18.4
259.20523	44.1
266.13458	4.9
267.15750	10.9
285.17035	29.8
291.19592	5.4
291.22510	4.7
315.23221	7.7
328.36447	4.4
333.24146	42.8
407.56540	5.3
525.35974	16.2
543.36688	53.3
574.77399	4.5
629.99542	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	759.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96639	0.6
56.96555	9.1
64.69446	0.6
69.56950	5.2
73.17520	0.6
76.61601	0.6
77.54780	0.6
84.96040	4.3
98.97570	47.3
102.17664	0.7
106.46622	0.6
110.96805	1.1
110.97546	13.1
116.98607	33.3
124.99055	1.2
128.98592	26.8
131.00137	1.6
134.99661	11.1
140.00192	1.0
140.98599	4.2
143.00145	8.3
145.01674	0.7
146.99637	23.1
147.04439	0.8
149.01176	1.3
152.98558	1.9
153.00684	1.1
158.99635	20.9
161.01208	12.8
165.00670	2.7
169.74918	0.7
170.99631	32.5
173.01195	1.1
174.99126	1.3
177.00705	26.6
179.02303	1.7
182.99632	12.9
189.00684	49.7
191.02173	1.5
194.99680	1.3
195.01727	2.3
201.00677	58.1
203.02243	1.2
207.01744	6.3
210.81978	0.7
212.02232	1.5
213.00645	4.3
219.01740	54.4
220.02136	1.0
224.02324	1.5
224.19244	0.7
231.01772	7.5
237.02792	32.0
239.59322	0.8
242.03333	1.2
243.01746	24.1
249.02719	0.8
254.99417	2.4
255.03819	3.3
260.04639	0.8
261.02792	100.0
262.03082	1.0
273.00351	1.8
273.02838	5.6
279.03851	61.8
280.04288	1.0
291.03851	18.7
297.04834	2.2
302.05396	1.9
303.03763	1.3
309.04816	2.4
321.04889	33.4
324.70129	0.8
333.04849	4.5
351.05878	12.4
363.06113	1.7
381.06992	16.2
381.11609	1.3
399.08047	18.5
417.04684	81.8
418.04684	1.3
422.09927	1.1
423.08548	0.7
435.05829	13.3
441.09109	88.7
442.09549	2.2
453.09238	2.2
458.07114	1.8
471.10083	2.8
501.11142	4.1
543.12256	2.3
636.23639	0.7
723.18231	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	758.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72554	2.7
53.54937	3.1
55.01867	8.4
55.05509	47.6
56.13370	2.8
56.96577	3.1
57.03438	19.0
57.07053	3.6
57.50077	3.0
59.04986	5.6
61.02910	15.8
62.68782	2.7
67.05500	100.0
68.05828	3.1
69.03419	12.2
69.07052	16.5
70.06573	12.0
70.54189	2.8
71.01328	3.6
71.04993	16.8
71.18034	6.4
71.18400	4.0
72.08134	5.3
73.02892	9.8
74.21272	3.0
79.05482	30.8
81.03432	24.1
81.07058	44.8
83.04978	11.6
83.08604	23.1
85.02905	39.9
85.06534	5.0
86.09702	9.4
87.04474	7.3
90.97041	2.9
91.03948	14.2
91.05479	19.0
93.07053	18.2
94.06542	3.3
95.04955	11.2
95.08597	21.9
97.02885	19.8
97.06509	10.3
97.10162	28.1
99.04503	4.5
103.03944	14.0
103.98156	2.9
105.07030	10.8
107.04942	6.3
107.08597	21.2
109.06487	4.7
109.10149	83.3
109.20929	3.1
110.05913	2.8
110.07116	2.8
111.04431	4.8
111.08105	6.8
114.69763	3.1
115.11195	3.1
116.42220	3.2
117.06989	4.2
119.08588	18.0
121.10130	11.2
122.06007	9.4
125.09630	37.0
127.03909	7.4
127.34861	3.0
131.08572	7.4
133.10133	6.5
135.11694	12.4
136.07559	7.7
137.09596	6.5
139.38254	3.2
139.68405	2.6
143.10693	7.5
144.04433	6.9
145.04947	6.5
145.10086	10.4
147.11638	3.9
153.12744	12.7
155.10739	4.9
163.06013	7.7
163.11183	15.8
165.09053	6.2
172.03934	13.7
173.09468	5.2
173.11728	37.0
181.12242	8.9
184.07320	12.6
189.11176	4.7
190.05009	4.8
191.10561	7.4
191.22630	3.0
193.12256	6.5
199.13263	9.3
201.10303	4.5
204.06589	20.3
209.11696	14.6
217.14442	5.9
221.63228	3.1
227.08185	3.9
227.12804	19.7
229.14348	70.3
230.61380	3.4
241.09709	4.9
242.10492	11.8
245.13855	5.8
255.11432	4.2
256.12073	10.6
257.13806	26.8
258.11179	4.1
283.15363	26.1
287.05472	4.3
289.15427	3.9
301.13367	4.2
301.16479	49.3
302.12607	4.3
317.11368	6.4
317.14975	96.1
319.17566	7.6
339.13409	6.2
411.11636	9.6
429.13019	5.0
443.14496	3.2
476.18143	3.3
556.34747	3.3
727.25317	7.3
758.37494	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54350	1.4
53.79207	1.1
54.02766	1.3
55.05523	1.3
57.03428	2.9
57.07075	3.2
59.04976	1.4
60.60585	1.4
61.02917	5.9
67.05519	2.1
69.03436	3.5
70.48801	4.0
71.08630	1.8
73.02923	3.5
79.05502	2.6
81.03424	4.9
81.07060	2.7
81.79219	1.4
83.08627	1.7
85.02909	5.1
91.03956	2.6
91.05485	3.5
93.07035	3.7
95.04950	1.3
95.08613	3.4
96.57405	1.5
97.02895	3.1
101.02370	2.3
105.07037	2.1
107.08627	2.4
109.89997	1.3
119.08569	1.7
121.10147	1.7
127.03948	2.1
131.08623	2.3
133.10194	2.4
149.09531	1.3
171.83298	1.4
243.08420	2.2
277.78091	1.6
283.15228	2.6
497.30997	5.5
501.23206	13.3
757.47064	100.0
758.47321	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	758.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.1
55.05497	0.3
57.03431	0.2
60.04493	0.1
61.02912	0.3
65.03941	0.2
67.05502	0.2
69.03426	1.3
70.06581	0.7
70.74105	0.1
71.04993	0.2
73.02908	0.1
78.03443	1.3
79.05486	0.3
80.04995	0.4
81.03423	0.7
81.07044	0.3
83.04967	0.4
84.08115	0.2
85.02908	0.8
86.06102	0.1
86.09698	0.3
87.04482	0.2
91.05465	0.4
94.04188	0.3
95.04951	0.2
95.08578	0.2
96.04475	1.0
97.02883	100.0
98.03205	0.8
99.04427	0.2
103.05460	0.3
105.07084	0.1
106.02908	7.3
107.04934	0.3
107.08579	0.1
109.02863	0.2
109.06522	0.3
111.04420	0.4
115.03902	0.1
115.05450	1.0
117.07016	0.5
119.04935	0.2
120.08119	0.1
122.03656	0.8
124.03943	9.7
125.05952	0.4
127.03905	0.4
128.06161	0.2
128.76833	0.1
129.05542	0.1
129.06964	0.9
129.10225	0.1
131.04926	0.4
133.02820	0.1
136.07562	0.2
137.05966	11.9
138.06303	0.1
140.10748	0.1
143.04922	1.3
144.05692	0.3
145.06485	0.4
147.04370	0.3
149.05949	0.2
149.32863	0.1
151.03880	0.3
151.07556	0.2
153.05437	0.4
157.06502	0.9
160.05188	2.1
161.05923	0.5
163.07518	0.3
172.05190	0.5
173.05960	0.1
174.06757	0.3
175.07535	11.1
176.07962	0.2
177.09038	0.1
177.38419	0.1
184.07356	0.2
185.06027	0.1
187.07529	4.3
188.08031	0.1
189.09079	1.2
191.08641	0.2
196.06061	0.4
203.08572	0.2
205.08562	1.3
211.07512	0.2
217.08638	0.4
218.07066	0.1
219.08043	0.3
220.06026	27.2
221.06386	0.4
227.06926	0.1
231.08119	0.2
235.07411	0.2
235.09584	1.1
238.07076	4.8
239.07018	0.2
240.07790	0.1
247.05188	0.1
247.07542	0.2
248.08250	0.4
251.10791	0.3
254.06563	1.3
255.06552	0.2
255.11304	0.3
256.08054	0.7
256.11621	0.2
259.07642	0.1
263.10776	0.3
264.07886	0.1
265.08752	0.1
268.08029	0.4
269.12482	0.2
270.08783	0.3
270.12549	0.2
271.09695	0.3
273.12381	0.1
276.07874	0.2
279.10184	0.3
280.08279	0.2
281.08350	0.1
283.09949	0.1
287.05490	1.4
291.10159	0.6
301.11926	0.3
302.12067	0.2
311.12601	0.5
323.12775	0.5
325.14972	0.1
341.13669	0.5
364.10037	0.1
382.11496	0.1
384.00488	0.1
400.12369	14.7
401.12558	0.5
524.39124	0.1
554.12744	0.7
560.40863	0.1
745.27661	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	756.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
55.05507	16.6
57.03437	7.7
59.04994	1.1
65.03921	1.1
65.06967	0.9
67.05168	1.2
67.05503	15.3
69.03425	3.5
69.07061	6.2
70.13087	4.2
71.01330	0.8
71.04982	3.2
78.55662	0.9
79.05058	1.5
79.05490	22.0
81.03415	50.0
81.06573	1.2
81.07055	20.4
83.04955	4.8
83.08614	16.9
85.02872	1.2
85.06536	1.1
86.29587	0.8
87.04419	0.9
91.05475	14.3
93.07040	15.5
95.04961	19.6
95.08604	9.0
97.02887	2.2
97.06540	2.8
97.10165	16.5
99.08092	1.2
105.07037	12.1
107.04950	13.0
107.08589	11.4
109.06505	8.3
109.10154	6.9
110.28043	0.9
111.08067	5.5
115.05454	1.1
117.07018	5.3
119.04907	2.2
119.08584	11.3
120.77273	0.9
121.06501	9.8
121.10143	9.7
122.23586	0.8
123.04433	1.3
123.08051	5.2
123.11668	1.9
125.09632	14.4
129.06999	10.4
131.04932	1.6
131.08565	10.1
133.06483	3.9
133.10085	5.6
135.08044	6.7
135.11708	2.4
136.07555	1.0
137.09590	1.9
141.06955	1.4
142.07748	1.6
143.08604	2.0
145.06482	6.7
145.10133	4.7
147.04414	1.5
147.08064	5.3
147.11690	6.6
149.09590	4.0
153.09097	3.5
153.12721	1.4
155.08569	1.6
157.06493	1.4
157.10143	6.2
159.07982	2.4
159.11688	2.8
161.05972	1.8
161.09647	2.0
163.11212	3.5
165.12746	1.6
169.10078	1.5
171.08032	1.8
171.10254	1.2
171.11641	2.3
173.09618	1.3
175.11147	4.9
177.12770	1.5
181.10118	1.1
183.07993	1.8
183.11716	1.3
187.11151	1.6
187.14862	1.1
189.11214	7.2
189.12685	1.5
191.14247	1.6
193.12219	13.5
195.11685	1.6
197.13272	1.7
199.11191	2.6
203.14394	1.2
205.12230	2.6
209.09633	0.9
211.13216	1.8
213.12634	1.6
215.14293	1.6
217.12134	1.4
219.13795	3.0
223.13229	1.2
225.12683	1.2
227.12657	2.3
231.13840	1.3
233.15269	4.3
235.13211	1.0
237.12755	2.3
239.14168	0.9
241.14369	1.7
245.15384	1.2
249.14885	2.6
255.13846	1.5
259.13321	1.7
267.15897	41.0
273.14719	7.4
289.17804	1.1
311.16208	1.3
321.22369	1.3
339.23132	2.5
345.35519	0.9
349.21603	5.2
357.24146	2.5
367.22659	17.2
385.23685	25.9
403.24860	9.3
441.26468	8.2
459.27402	100.0
460.27423	1.7
477.28461	87.2
478.28796	2.5
491.24490	1.2
491.30136	14.1
501.28503	2.5
509.31149	4.9
541.33917	1.2
567.29486	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	757.1966
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03933	0.6
55.01859	0.3
55.05487	0.2
57.03419	0.3
58.57129	0.2
61.02622	0.2
61.02913	0.6
65.03930	0.9
67.05494	0.4
68.99787	0.5
69.03418	1.1
69.95666	0.3
69.96071	0.9
70.06587	2.0
73.02891	0.2
77.15079	0.2
79.05485	0.5
81.03416	3.2
81.07045	0.3
84.08130	0.7
85.02903	1.5
86.09698	0.7
91.03947	0.2
91.05466	7.9
95.04967	0.2
97.02878	2.9
98.21434	0.2
99.04425	0.3
105.03394	0.3
107.04975	0.3
107.08570	0.2
109.02877	1.5
111.00792	0.9
111.04466	0.4
119.04930	19.8
120.05294	0.2
121.02850	2.5
121.06490	0.2
124.03973	0.3
127.03902	0.6
129.07004	0.3
129.10240	0.3
130.47984	0.2
133.02826	0.7
137.02327	0.8
137.05963	2.3
145.06483	0.2
147.04393	93.4
148.04752	1.4
151.03891	0.3
153.01816	4.0
157.06490	0.6
161.05962	0.4
163.03835	0.3
165.01839	1.8
165.05470	4.2
165.09033	0.3
173.06111	0.3
175.07529	0.6
181.04950	0.4
183.02901	0.8
185.05952	0.6
205.08672	0.2
213.05444	1.3
220.06067	0.4
231.06522	0.7
241.04948	0.8
258.05167	0.9
259.05939	0.6
287.05469	100.0
288.05875	2.2
291.08597	3.5
299.05508	0.8
309.09680	3.9
329.06464	1.2
353.06232	0.5
383.07700	0.3
395.07489	0.3
400.12552	0.4
431.09344	0.4
449.10394	0.5
563.78461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01857	2.4
55.05267	1.2
55.05506	15.3
57.03433	11.2
57.07071	0.8
59.05000	4.1
61.02907	2.9
62.82245	0.7
65.03926	2.6
67.05499	89.0
69.03412	2.0
69.07059	6.3
71.01353	1.0
71.04988	4.2
73.02908	1.5
79.05484	9.1
81.03423	5.4
81.07051	18.0
83.04990	3.7
83.08615	9.5
85.02888	7.5
85.06517	2.8
87.04448	2.1
91.03944	2.0
91.04961	0.8
91.05475	10.1
93.07046	6.5
95.04960	2.8
95.08606	8.7
97.02863	3.8
97.06517	2.2
97.10176	5.7
99.08037	1.0
105.07006	2.4
107.04957	1.7
107.08588	7.0
109.06475	1.2
109.10144	77.3
111.04431	1.4
111.08091	3.9
113.30560	0.6
117.07000	1.6
119.08582	7.5
121.10130	1.5
123.08015	0.9
125.09615	7.5
127.03963	0.9
127.11170	0.9
129.05484	1.6
131.08537	0.9
133.10143	1.4
135.11647	2.2
137.09598	3.9
142.07497	0.7
142.59850	0.6
143.10638	1.0
145.10109	2.0
145.44904	0.7
147.07939	0.8
149.09554	1.0
153.12723	1.7
155.10629	6.2
163.11157	6.3
173.09546	1.5
173.11722	33.3
176.59908	0.7
181.12202	2.0
184.07425	0.8
191.10617	1.5
193.12244	2.2
199.13232	5.2
202.54471	0.8
209.11728	3.4
211.13292	1.4
213.74936	0.6
227.12834	4.1
229.14339	100.0
252.30342	0.7
257.13843	1.8
267.15866	2.7
283.15405	3.8
301.16385	7.8
303.83676	0.7
353.23190	1.5
371.24161	4.4
383.24246	27.1
399.23846	9.2
421.25616	1.1
437.25507	2.2
455.26355	7.4
473.27481	2.0
553.33661	24.8
679.33887	0.9
750.40686	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	752.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48832	2.5
55.05503	5.0
57.03428	10.6
57.07072	26.8
64.06039	2.3
67.05499	13.5
69.07066	7.7
69.91291	4.0
69.91697	8.6
71.08636	18.1
72.92676	2.2
78.14587	2.2
79.05486	5.9
81.02970	4.4
81.03410	50.1
81.07053	13.8
83.08617	16.3
85.10179	11.6
88.40441	2.3
88.44687	2.4
91.05481	9.9
93.07034	4.7
94.63808	2.2
95.04960	15.9
95.08596	13.6
96.18995	2.4
97.10161	5.0
97.23956	2.2
98.21502	2.2
105.07020	9.1
109.06479	3.2
109.10159	10.3
111.08099	3.0
116.16975	2.1
119.08536	7.8
121.10137	4.8
127.73011	2.2
129.07016	5.3
131.08536	3.9
133.10150	5.0
147.11656	3.9
149.09587	2.6
157.10139	7.4
175.11159	8.1
193.12231	25.8
208.21878	2.6
249.15034	2.8
257.24570	3.0
267.15897	100.0
306.27722	2.4
313.27335	98.0
436.59152	2.6
505.38882	73.1
547.40192	3.1
678.29211	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	755.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01858	0.5
55.05499	0.3
56.05026	0.3
61.02903	0.2
65.03930	1.3
66.04719	0.6
69.03419	1.1
69.27283	1.7
69.27716	1.0
70.06583	1.9
72.08145	0.5
76.31258	0.2
76.79694	0.2
77.03928	0.4
79.05490	2.3
81.03404	0.7
81.07056	1.3
84.04473	0.3
84.08129	0.9
85.02892	0.8
86.09692	0.7
89.03906	0.4
90.15820	0.2
91.04950	0.4
91.05470	4.7
94.04179	3.5
95.04967	1.3
95.08610	0.4
97.02883	70.5
98.03269	0.3
102.04629	0.2
103.05437	1.8
104.06232	0.4
105.03404	0.4
105.07026	6.5
107.04951	1.3
107.08589	0.4
109.02874	0.3
109.06525	2.1
111.04422	0.8
115.05450	3.6
116.06261	0.4
116.63048	0.2
117.03286	0.3
117.07005	1.2
118.04144	0.5
119.04950	1.2
119.08574	2.2
121.02856	21.9
121.06481	0.7
122.03639	6.8
123.08054	0.4
127.08768	0.3
128.06230	2.4
128.74873	0.3
129.06979	2.1
131.04927	1.5
131.08525	0.3
132.05708	2.0
133.02794	0.3
133.06482	4.9
136.07593	0.6
137.05965	100.0
138.06319	0.6
141.06941	0.9
143.04964	0.5
143.06021	0.5
144.05707	0.8
145.06453	2.2
146.03600	0.6
147.04408	1.7
147.08037	3.4
149.04945	0.3
149.05936	1.6
151.03943	1.4
151.07518	0.9
155.04895	1.0
156.05646	0.7
157.06442	0.3
159.08043	3.1
160.05183	1.4
161.05971	14.2
163.04012	0.3
163.07532	1.3
165.07010	0.4
167.06975	0.7
168.05659	0.4
169.06564	0.6
171.04417	0.5
171.08002	0.6
172.05147	1.3
175.07532	27.2
176.07843	0.3
177.05437	0.3
179.06987	0.9
179.08487	0.4
184.05228	1.4
185.05881	0.4
187.07529	9.7
189.05447	0.3
189.06969	1.1
189.09045	1.0
190.07736	2.5
191.06886	0.5
191.08543	7.3
191.10275	0.4
192.09241	0.4
199.07538	8.8
202.07755	3.9
203.08533	5.8
205.06480	0.8
205.08586	0.8
207.08031	0.5
208.08751	1.1
217.04918	3.2
217.08559	0.9
218.07259	1.9
219.05910	0.6
219.08044	10.2
220.08809	2.6
221.05922	0.5
221.09502	0.5
230.07158	0.4
231.08031	5.9
232.08794	1.7
233.09637	0.6
235.07477	0.9
235.11140	0.6
236.08279	2.0
237.09058	0.5
245.09575	0.5
247.07524	4.5
248.08324	3.6
249.09015	1.0
251.10655	13.7
252.11156	0.3
253.06729	0.4
259.07495	3.4
260.08328	1.5
261.09018	1.1
263.06924	0.3
263.07861	0.3
263.10675	3.0
264.07800	1.1
265.08484	0.9
267.10062	0.3
274.09769	0.3
275.06906	0.5
276.07730	1.9
277.08578	3.0
279.10135	9.9
280.10828	1.2
281.08054	0.7
291.10120	7.5
292.10968	2.8
293.08020	0.7
293.11288	0.4
295.09976	0.3
295.13129	1.6
296.10364	1.2
308.10379	0.7
309.11026	0.3
311.12738	26.3
321.11087	0.4
323.12741	10.8
325.14532	0.3
341.13907	1.2
353.13864	0.4
389.13565	0.4
419.14337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12237	0.6
55.01862	0.8
55.05502	1.7
57.03434	1.5
61.02926	4.9
67.05498	4.2
69.03413	2.7
69.07065	1.6
69.93343	3.6
71.08617	0.6
73.02923	3.5
79.05488	4.1
81.03413	4.8
81.07051	4.9
83.08631	1.2
85.02905	5.1
86.07336	0.6
86.09692	0.8
91.03955	3.2
91.05482	3.3
93.07047	3.3
95.04967	1.9
95.08588	3.7
97.02895	4.1
99.04469	0.9
101.02369	2.2
105.07043	1.8
107.08586	1.5
109.06509	0.6
109.10175	1.9
110.59304	0.5
119.08575	1.6
120.82405	0.6
121.10159	2.1
124.99993	1.1
127.03933	1.0
129.07054	1.1
131.08580	1.1
133.10120	1.2
135.11729	0.7
145.10188	0.7
147.11652	1.2
149.09660	0.7
150.45071	0.6
157.10065	0.7
174.26610	0.6
175.11208	0.7
184.07318	3.7
185.04251	0.6
189.56230	0.5
193.12257	1.5
243.08418	1.4
251.12645	0.7
269.12476	0.8
452.17062	0.5
469.20349	7.7
519.29291	4.6
624.66199	0.6
705.68573	0.6
747.42853	100.0
748.43018	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	749.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01862	1.0
55.05503	1.9
57.03431	1.4
61.02925	1.3
65.03941	2.6
66.03443	1.4
67.05499	3.1
69.03417	2.7
69.07066	1.3
70.06241	1.0
70.06592	12.6
70.72823	1.8
70.73153	1.0
71.04984	3.6
72.08140	3.4
73.02901	2.1
79.05490	13.1
80.05003	2.7
80.05777	0.8
81.03409	5.4
81.05793	3.0
81.07047	2.3
82.06564	1.2
83.04964	2.1
83.08613	0.8
84.04496	2.0
84.08131	4.1
85.02901	7.4
86.09693	4.4
91.05473	7.7
92.05039	0.9
93.03374	2.2
93.05852	0.8
93.07029	7.4
94.06557	6.0
95.04957	4.1
95.08605	1.0
96.08125	14.6
97.02894	3.6
97.06531	3.5
98.06072	1.5
103.05476	5.0
104.78252	0.9
105.07018	2.6
106.06561	1.6
108.04465	4.9
108.08109	5.9
109.02875	2.0
109.06537	1.2
109.10138	1.4
110.06040	1.2
110.07191	1.1
110.09664	1.3
111.04474	1.0
118.06536	3.6
119.07341	1.7
119.08568	1.4
120.04478	1.7
120.08100	45.4
121.08867	1.3
121.10139	1.1
122.06026	7.5
122.09660	2.3
124.07582	13.6
127.03905	1.8
129.05528	1.8
129.10245	2.4
133.10126	1.0
134.06001	6.4
134.09662	1.2
135.04408	0.8
136.07593	10.6
137.05981	2.0
137.09607	1.5
138.05478	9.4
138.09117	2.3
140.07124	1.4
144.04407	1.4
144.82552	0.9
146.06000	74.8
147.04359	1.3
148.07564	100.0
150.09134	1.4
152.07066	34.9
153.01814	15.4
153.07166	0.8
158.09584	0.9
160.07599	8.0
162.05496	0.9
162.09157	2.4
163.03893	1.4
164.07066	2.6
165.09109	0.9
166.05002	5.7
166.08640	6.6
168.06552	8.8
172.03943	2.9
172.07590	1.1
173.13271	1.0
174.09090	1.1
176.06935	1.2
180.06567	8.8
186.09189	1.9
187.06004	1.5
188.07048	1.5
190.04968	8.5
196.09854	2.0
197.10719	1.9
198.07622	8.9
198.09326	1.1
198.11452	1.1
199.08681	1.3
201.05449	1.1
201.10243	4.5
203.08247	1.1
208.09657	2.0
209.10742	9.1
210.11517	4.8
211.08653	1.5
211.12282	2.0
212.10831	1.1
213.10223	3.7
214.10953	1.1
215.07031	1.3
215.11690	1.3
221.10762	1.0
223.12250	6.3
224.09129	6.0
224.13054	2.1
225.10168	3.6
225.13788	5.8
226.10982	2.9
227.08240	1.9
227.11777	4.6
228.08772	0.8
229.09795	1.8
237.10226	2.8
238.10966	12.1
239.11731	6.8
241.09656	3.5
241.13405	2.3
242.10471	2.2
243.11267	3.1
248.05557	1.5
251.11806	4.0
252.08606	24.1
252.12704	1.4
253.09686	3.4
253.13373	18.7
254.10431	1.6
255.06737	0.9
255.11189	4.9
256.11969	1.2
257.12808	1.3
264.08871	1.1
267.11331	5.5
268.12009	1.5
269.09109	1.3
269.12894	3.3
270.11313	1.0
271.14444	2.5
273.07562	3.0
273.12177	1.3
278.10321	0.9
279.06796	0.9
279.11240	3.7
280.09509	1.1
281.09586	1.6
281.12814	27.8
283.10736	2.7
285.12332	12.4
287.05469	1.5
287.10303	2.7
287.13797	1.1
295.10745	6.6
297.12302	42.5
298.10422	1.1
298.13083	1.4
299.10220	5.0
299.13904	5.7
301.11746	13.3
303.13412	19.9
307.10767	1.2
311.09653	1.5
313.11795	43.4
314.12167	1.5
315.13333	22.8
323.10312	3.5
325.11917	2.8
329.11444	1.3
331.13730	0.9
333.14487	1.2
339.09467	1.0
341.06671	1.7
341.11383	1.6
341.14905	4.6
343.12915	3.1
353.10651	1.1
355.08173	2.7
357.14609	1.3
359.12534	1.2
367.12811	1.7
381.09653	6.2
385.13910	52.0
386.14261	1.2
388.16412	1.7
399.10706	10.3
402.18158	1.0
404.19641	4.6
411.11722	3.4
420.19049	2.1
422.20563	2.1
430.17575	2.4
432.19153	2.4
436.18948	4.5
448.18668	33.2
449.17078	1.8
450.20255	15.4
451.20468	1.0
454.19873	2.3
464.21841	2.0
466.19788	12.5
468.21365	4.8
474.16595	2.1
476.18277	2.6
477.15109	1.2
478.19904	1.6
480.16983	1.2
492.21808	5.5
494.19214	1.1
495.16696	1.0
508.20947	4.9
510.22195	1.7
524.20905	1.4
534.18402	1.3
536.20233	8.5
538.18414	1.2
552.19812	20.2
554.21375	29.6
555.26141	1.5
569.19666	1.1
578.17572	1.0
580.19263	7.0
582.20599	1.9
583.25269	3.7
587.30017	1.6
609.23145	1.3
684.83173	1.0
687.26337	2.3
705.27283	1.3
713.24402	1.3
731.25085	1.6
735.64740	0.9
749.35083	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	747.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
55.05507	0.8
57.03431	2.8
57.57970	0.5
58.65570	0.6
61.02922	5.9
61.06418	0.5
64.06212	0.6
65.33972	0.6
67.05500	4.5
69.03414	3.0
69.07050	2.1
71.61054	1.1
73.02918	4.4
74.54574	0.6
79.05485	3.9
81.03401	2.7
81.07053	4.7
83.08595	1.0
85.02901	5.5
85.06489	0.6
86.09698	1.7
91.03946	3.4
91.05484	2.1
93.07047	4.1
94.95286	0.6
95.04955	1.4
95.08582	3.9
97.02882	4.7
97.10169	0.7
101.02387	1.8
105.07020	1.4
107.08563	2.1
109.02914	0.9
109.10131	0.8
119.08595	1.8
121.10147	1.7
125.00019	1.2
127.03912	1.4
131.08606	1.4
133.10106	1.0
135.11679	1.4
147.11742	1.5
157.10065	0.8
184.07315	5.2
188.82909	0.5
228.20418	0.8
243.08498	1.3
251.12494	0.7
335.25845	0.9
469.20541	2.9
497.30670	0.7
500.77615	0.6
519.29443	7.6
608.01404	0.7
688.83630	0.7
747.42853	100.0
748.43512	2.2
757.61273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3763
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03930	0.7
55.01858	0.6
55.05511	1.1
57.03430	1.5
59.04995	0.7
61.02924	4.9
67.05505	2.9
69.03420	2.7
69.07058	1.3
70.06586	1.3
70.57612	0.3
70.75729	1.0
71.01357	0.4
71.04989	1.4
71.45818	0.4
72.08136	0.6
72.85178	0.3
73.02916	3.3
73.44202	0.3
79.05486	3.1
81.03410	5.8
81.07051	3.7
83.08614	1.3
84.08154	0.4
85.02901	5.2
85.06532	0.5
86.09644	0.4
87.04438	0.7
87.22981	0.4
91.03942	2.3
91.05473	3.4
93.07036	4.0
95.04979	2.2
95.08582	1.9
97.02878	4.1
97.06541	1.8
97.10207	0.4
99.04443	0.9
101.02390	1.5
105.07013	2.3
107.04926	0.6
107.08578	1.7
109.02856	0.8
109.06520	1.0
109.10113	0.7
111.04430	0.5
111.08089	0.5
119.08547	2.0
120.08110	1.4
121.10137	3.7
125.09652	0.4
127.03919	2.0
129.07007	1.1
131.08553	2.0
133.10118	1.7
139.11183	1.1
146.05963	0.5
147.07999	0.5
147.11629	2.0
148.07574	0.7
149.09590	2.7
157.10144	1.9
163.11220	0.4
167.10706	0.5
175.11176	1.6
185.04237	0.8
193.12238	2.5
211.13338	0.5
225.14764	0.5
233.11435	0.4
243.08420	2.4
243.10689	0.4
251.12442	0.5
253.13937	0.4
255.11298	0.9
267.15817	1.6
269.13644	1.0
281.13638	0.5
283.15152	4.0
299.14035	0.4
301.12021	1.0
323.10266	0.7
323.18390	0.6
325.16666	0.4
339.17889	1.0
385.14276	0.4
425.17654	0.4
441.47629	0.4
443.18909	7.1
469.20483	3.4
487.21515	8.2
501.23026	14.4
501.30353	0.7
502.23254	0.5
657.29730	0.4
703.35040	2.5
729.37341	1.8
747.37659	100.0
748.38171	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	747.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
53.51271	1.2
55.01855	1.4
55.05506	2.4
56.53667	0.9
56.96555	1.7
61.02911	2.1
67.05493	4.0
69.03419	4.1
69.07056	1.8
70.06597	9.4
71.01328	1.1
71.60434	1.2
72.08142	4.1
79.05482	8.7
80.05009	1.9
80.23122	1.0
81.03412	5.1
81.07056	3.5
84.04510	1.3
84.08142	1.8
85.02892	5.9
86.09695	3.2
91.03957	1.6
91.05472	7.6
93.05801	1.5
93.07038	7.7
94.03558	1.1
94.06558	8.2
95.04972	4.0
95.08625	3.2
96.04494	1.5
96.08127	2.2
97.02894	4.6
97.06522	3.9
103.05470	5.0
105.05759	1.1
105.07029	4.0
106.06569	1.3
107.08578	2.7
108.04477	1.4
108.08113	15.9
109.02885	2.6
109.10149	3.3
110.07146	2.5
110.09688	2.8
116.04985	3.8
118.06550	3.2
119.04926	1.1
119.08587	2.4
120.04442	6.1
120.08099	37.4
121.06539	1.2
121.10138	1.4
122.06021	14.8
123.08097	1.2
124.07567	6.0
127.03941	2.2
132.08081	2.6
133.10158	1.8
134.06020	3.2
135.04448	1.4
136.07564	29.6
137.05969	3.3
137.09624	1.9
138.05487	7.7
138.09132	3.2
144.04442	6.2
146.05962	10.9
147.04372	1.3
148.07561	100.0
150.05508	2.1
150.09142	4.2
152.07080	1.7
160.03976	1.9
162.05505	5.6
162.09064	1.2
163.03879	1.9
164.07062	5.1
166.05031	4.6
166.08609	7.2
167.07246	1.4
172.03918	40.6
174.05496	3.1
176.07166	2.0
178.05026	1.7
183.09262	1.5
184.07634	1.2
184.10025	2.7
186.05580	2.5
187.11142	1.3
188.07094	1.2
190.04980	25.7
192.06477	1.8
193.12352	1.6
194.09854	1.4
197.10770	2.7
198.09230	1.4
198.11488	1.1
199.12305	1.6
204.06555	25.2
204.08446	1.7
205.12384	1.2
208.09854	2.0
209.10741	2.1
211.08640	1.4
211.12306	2.9
212.09503	4.4
213.10187	2.1
216.06589	1.6
221.10727	1.8
222.07716	1.5
222.11574	2.0
223.08734	2.0
223.12314	2.0
224.09366	4.4
225.10217	10.8
226.11000	2.6
227.11772	8.7
233.10825	2.0
234.11464	1.3
235.12082	2.4
236.09494	4.7
237.10220	17.3
238.10953	3.8
239.08099	2.0
239.11824	7.7
241.09694	4.6
249.10361	3.7
250.10971	2.7
251.08151	2.8
251.11734	11.9
252.08662	26.3
252.12520	1.6
253.09708	16.0
253.13293	2.5
255.11269	11.6
259.09738	3.7
263.11847	2.1
264.08997	3.7
265.09735	24.1
266.10452	4.6
267.11249	8.2
269.12735	5.4
271.10770	6.6
273.12347	1.7
277.09744	2.1
278.06601	11.8
278.10400	1.9
279.11261	17.4
280.11969	1.8
281.09274	4.0
281.12842	10.9
283.10767	8.2
285.12363	4.2
287.13928	1.9
291.11255	3.5
292.08124	5.1
293.09210	20.5
294.09998	4.3
295.10825	4.5
296.11411	1.5
297.12396	11.6
299.10214	3.6
299.13690	1.7
301.15112	1.2
307.10739	13.1
309.12366	8.8
311.10385	4.4
312.11057	5.3
313.11838	5.8
315.13303	1.9
323.10370	6.1
325.11829	19.9
327.13480	1.7
330.15933	1.8
333.14447	4.6
335.10281	10.2
339.13397	7.9
340.10617	2.0
341.11292	11.7
353.11200	11.7
353.14630	1.3
356.13913	1.7
358.15424	2.0
359.12393	4.4
360.17001	1.3
365.11356	1.8
372.17337	1.6
373.13992	5.3
385.14096	7.2
386.14655	1.4
388.16266	1.5
390.18127	3.0
398.14859	1.6
399.10434	1.4
399.15704	3.3
400.16519	1.8
411.11752	14.0
416.15353	1.7
416.20255	1.9
418.17255	2.7
429.12888	3.3
432.19315	2.5
443.14432	10.4
444.19437	2.8
446.17462	1.8
447.17398	1.6
458.16937	4.2
460.18661	11.7
463.43915	1.2
476.21881	3.5
488.18097	36.8
492.21490	1.6
504.21124	3.6
506.18808	6.7
520.20715	3.8
530.19000	1.4
548.19995	3.2
551.18842	13.4
564.19653	5.6
574.18060	6.6
579.22076	1.8
585.14886	1.8
592.19226	97.6
593.20020	5.1
596.22699	1.8
606.20642	3.1
607.21301	8.0
611.24768	2.6
624.21820	14.7
625.22003	1.8
653.25488	2.6
657.30359	2.2
697.25183	9.7
747.33905	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	747.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.9
65.03927	2.9
67.05496	5.0
69.03414	2.8
69.07057	2.6
70.06585	5.1
71.04991	1.8
71.21110	2.2
71.21439	2.3
72.08161	2.3
79.05492	7.3
81.03427	5.6
81.07048	5.2
84.08151	2.2
85.02895	4.4
86.09708	4.1
91.05484	4.3
92.05006	3.1
93.07034	5.7
94.06550	5.3
95.04942	2.6
95.08615	2.7
97.02903	2.7
97.06514	2.1
98.67000	1.3
103.45228	1.6
105.07021	3.4
106.06550	15.7
107.07362	1.6
108.08121	13.2
109.10138	3.5
118.06493	1.4
119.08582	2.2
120.04456	14.5
120.08111	11.3
121.10158	2.2
122.06040	4.9
124.07567	1.6
136.07567	36.4
138.05513	7.5
146.05994	1.7
148.07559	87.6
150.05507	1.7
150.09163	2.3
152.07080	3.5
157.10146	2.3
162.05511	8.7
163.11137	1.5
164.03410	3.2
164.07071	2.2
166.08629	100.0
174.09155	7.9
178.04968	15.8
184.09993	1.7
188.03429	10.9
194.08141	3.8
196.05975	8.3
197.10701	2.0
201.13841	1.7
206.04510	8.4
206.08134	1.6
213.10262	1.9
225.10245	5.7
227.11797	9.8
229.13348	6.7
234.07652	1.9
237.10115	2.6
238.10980	1.8
239.08156	3.6
239.11824	2.9
241.09727	4.0
243.11276	2.7
251.08109	2.2
252.08626	8.6
253.09758	8.9
255.11319	14.3
265.09723	9.7
266.10483	4.3
267.11316	8.8
269.12851	2.9
271.11060	4.2
271.14383	47.7
273.12219	2.3
277.09982	2.3
279.11395	1.7
281.09131	3.4
283.10809	2.4
285.12415	5.5
286.12903	2.1
289.15491	24.7
293.09241	6.7
295.10675	9.6
297.12323	13.4
299.10220	23.0
303.13300	1.8
311.10147	2.4
313.11743	9.5
315.13507	2.2
323.10132	12.1
329.15015	6.9
341.11404	3.0
344.13602	1.6
355.12814	3.4
358.15540	3.4
359.12463	1.7
367.08719	1.8
372.17117	2.8
373.14023	1.8
383.12424	3.3
385.09985	6.7
386.14929	6.4
388.16434	6.7
399.11853	2.9
400.16437	3.1
401.13461	6.4
406.17749	1.7
408.50244	1.6
417.13177	2.9
418.17548	2.5
420.18857	2.1
427.11523	7.6
428.16129	3.2
433.15976	4.6
446.17023	6.5
448.18552	6.0
488.17624	2.8
501.22668	2.5
533.17651	2.7
534.18768	9.5
548.20135	4.2
550.17645	3.7
552.20105	3.5
569.23462	4.9
587.24500	2.4
592.19183	6.5
611.24756	1.9
624.21887	3.3
655.23749	2.6
673.25452	6.8
697.24719	4.6
715.25470	5.1
747.35602	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	745.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.05500	1.4
56.41315	0.4
57.03421	2.3
58.40132	0.5
61.02921	5.9
67.05500	6.0
69.03420	3.4
69.07071	0.5
71.01353	0.6
71.05000	0.9
73.02916	3.4
79.05482	4.1
81.03406	1.9
81.07043	4.8
83.04998	0.7
83.08623	1.1
83.62614	0.5
85.02898	4.8
91.03970	2.7
91.05468	2.1
93.07021	4.8
95.05000	0.6
95.08596	4.6
97.02882	4.5
98.20548	0.4
99.04417	0.7
101.02370	1.6
105.07014	1.3
105.69433	0.5
107.08583	2.9
109.06509	0.5
109.10136	1.4
117.06990	0.8
119.08601	1.6
121.10136	1.7
127.03930	1.4
131.08597	1.0
133.10110	0.8
135.11671	2.8
143.08583	0.6
145.10123	0.9
147.11671	0.6
163.11165	1.3
210.31233	0.5
227.12772	1.1
229.72046	0.6
243.08430	1.9
249.10977	9.6
253.41022	0.5
305.13556	0.6
335.25864	0.9
364.25772	0.5
467.18918	4.0
519.29285	8.6
745.41241	100.0
746.41687	3.0
746.53760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.05485	3.1
56.96539	4.5
63.44198	2.1
67.05498	7.9
68.75140	2.5
69.03416	5.0
70.06596	12.9
71.05006	2.5
71.60540	3.0
72.08153	4.1
79.05484	11.3
80.05010	3.3
81.03418	8.6
81.07052	10.0
82.51347	2.9
83.08615	6.1
84.08133	4.3
85.02900	8.9
86.09697	4.9
91.05463	9.5
93.07037	10.9
93.07774	2.4
94.06582	9.5
95.04970	6.7
95.08622	4.4
97.02876	9.7
97.06519	2.7
100.75396	2.9
101.02343	2.5
103.05457	2.9
105.07031	7.8
107.08612	5.8
108.08137	4.6
109.02921	3.0
109.10128	4.1
110.09757	2.5
118.06516	2.8
119.08563	4.3
120.04500	7.0
120.08089	29.0
120.08820	3.2
121.06503	2.6
121.10136	3.9
122.06024	8.4
122.09698	3.5
127.03909	2.9
134.05984	3.4
136.07565	9.5
137.05891	2.5
137.09691	2.6
139.60101	2.6
143.08543	2.8
146.05986	19.7
146.52914	2.6
148.07558	50.3
158.29279	2.5
160.07539	4.8
164.07123	3.5
166.08720	3.4
174.09140	3.6
175.11069	3.3
193.12222	4.1
194.08182	4.1
197.10854	2.8
198.11598	3.2
213.10420	3.6
214.08786	4.3
222.11305	4.3
224.09172	3.5
225.10266	9.5
226.10947	4.4
227.08086	2.7
227.11841	7.9
236.09299	3.2
237.10280	8.7
238.11061	6.2
239.11798	8.7
241.09779	5.8
241.13390	4.8
242.08185	4.1
248.09204	12.2
249.10254	6.1
250.11081	4.1
251.11826	8.9
252.08864	6.9
253.09796	9.4
253.13284	5.1
255.11403	9.4
263.11829	11.0
265.09778	5.3
266.10446	3.5
267.08899	3.6
267.11353	14.2
267.15793	3.5
269.12958	6.8
271.10919	3.1
279.11331	9.0
281.12930	10.5
283.06476	3.0
283.10837	7.3
285.09927	6.0
285.12607	3.7
287.13947	9.3
291.11295	4.3
293.12979	3.0
295.10837	7.6
297.12372	15.2
299.13968	5.0
307.10635	4.0
309.12338	13.7
311.10306	6.7
311.13889	3.2
313.11899	13.3
313.15460	3.2
315.13577	6.2
325.11850	16.6
326.12720	4.3
327.13458	8.2
328.14261	3.6
329.14777	12.9
337.11746	5.8
339.09705	5.2
339.13550	9.7
341.11423	3.1
341.14957	12.0
342.15921	3.4
343.12878	12.3
349.17038	3.9
355.12955	9.9
356.13739	3.2
357.14697	4.8
367.12735	5.1
369.14645	3.2
372.16968	3.5
385.14026	16.2
387.15689	7.9
398.14728	3.6
410.48911	2.6
414.18008	3.4
420.19199	5.0
430.17657	3.6
432.19119	9.9
448.18680	5.2
458.17142	9.3
464.17819	3.4
476.18021	12.1
490.19363	3.3
494.23196	6.1
496.20609	5.3
508.20810	15.0
536.23901	31.6
566.21130	4.7
574.18420	5.0
580.22876	89.9
581.23199	8.5
592.19446	5.1
594.21075	8.5
606.20905	24.9
607.21844	10.1
624.22217	4.2
625.23975	4.1
671.27002	3.9
697.24951	9.1
729.36371	5.0
746.35596	3.2
747.34326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01862	0.6
67.05488	1.2
69.03410	0.6
69.07053	0.5
69.69470	3.3
70.06581	1.1
72.08167	0.6
73.02883	0.5
75.86740	0.4
79.05478	1.4
81.03402	1.4
81.07027	0.7
83.47518	0.5
84.08111	0.8
85.02876	1.3
86.09695	0.7
91.05447	1.1
93.07021	1.7
94.06550	1.7
95.04936	1.0
95.08593	0.6
97.02830	0.9
97.06476	0.6
98.20746	0.9
103.05446	1.3
105.06993	0.5
108.08121	2.2
116.04969	2.6
120.04443	0.8
120.08095	5.4
121.66059	0.4
122.06007	8.7
124.07549	1.4
129.10239	0.7
130.06470	0.6
134.05995	0.9
136.07558	9.3
138.05405	0.8
138.09174	0.4
143.08571	0.6
144.04437	4.4
144.08075	0.5
145.10046	0.6
146.05959	1.6
148.07556	12.2
149.09572	0.5
150.05461	1.5
155.07292	0.8
155.08481	0.9
157.08836	0.5
159.09181	0.5
160.03853	0.7
160.07500	1.0
161.07086	0.8
162.05516	3.1
166.08598	0.9
167.07138	0.5
169.08900	0.4
170.09657	3.4
172.03908	23.5
172.07556	1.2
172.09875	0.7
172.11221	1.4
174.05397	1.0
174.09163	0.6
175.08650	1.5
175.11140	0.5
178.04974	0.5
183.06760	0.6
184.07584	0.6
184.11185	0.6
186.05466	0.6
186.09187	0.7
187.08701	0.5
187.12238	5.0
188.07042	0.5
190.04968	3.4
196.53320	0.5
197.10771	0.6
197.64751	0.5
198.09129	22.3
200.09348	1.7
200.10765	1.9
201.10193	0.5
204.06538	32.2
205.06917	1.0
210.09236	0.6
211.12370	0.6
212.10747	4.4
213.10332	1.0
214.08716	0.7
215.11765	18.9
216.10246	0.6
216.12292	0.5
222.07780	0.5
223.12231	0.7
225.10197	1.7
226.08658	6.4
226.10756	0.9
227.08240	0.8
227.11787	1.8
228.08685	0.6
229.09601	1.0
229.13411	1.2
231.11331	1.1
236.09213	0.8
237.10242	0.9
239.11696	0.6
240.10490	2.3
241.09630	2.0
241.13385	1.9
242.10384	0.8
243.11263	100.0
244.11646	2.8
249.10361	0.5
251.11778	2.0
252.08525	2.5
253.09596	0.7
255.11252	5.4
256.11975	0.7
257.12805	5.5
264.08954	0.8
265.09662	1.2
267.11539	0.6
268.09729	0.8
269.09265	2.6
271.10547	0.5
279.11221	3.8
281.12836	1.1
284.11411	0.7
285.12302	92.7
286.12762	2.3
287.13913	0.8
301.11765	4.7
303.13348	96.0
304.13742	2.4
307.10745	3.4
311.13733	1.0
315.09689	1.9
325.11963	1.6
339.13339	8.3
340.14191	0.6
358.15353	0.9
362.90329	0.5
368.13724	0.6
386.14819	0.6
400.16760	0.6
411.11789	4.8
412.12064	0.5
413.14142	0.5
418.17480	1.2
428.15988	1.4
429.13107	0.7
430.17361	1.3
434.16882	0.8
443.14380	3.0
444.15094	1.5
445.15945	0.5
462.16629	3.0
466.20432	0.5
474.16620	3.3
476.17917	0.7
494.18927	1.8
501.22968	0.9
565.23785	0.9
581.24512	0.7
609.23157	1.9
623.24524	0.6
625.26263	1.8
627.24194	0.9
641.25671	1.7
651.24200	0.6
665.25470	0.6
669.25403	7.6
683.26788	1.5
685.25165	2.5
713.24420	6.7
714.24268	0.7
727.24951	1.3
727.36096	0.8
745.35913	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	745.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
61.02902	0.4
65.03909	0.6
66.03423	0.5
67.05501	1.9
69.03403	0.4
69.07053	0.4
70.06571	0.6
74.25860	0.3
79.05492	1.6
79.88867	0.3
81.03398	1.2
81.07056	0.7
85.02885	0.8
91.05461	1.2
93.03391	1.2
93.07017	1.2
94.06564	1.9
95.04955	1.3
97.02851	0.4
97.06464	0.4
103.05450	1.0
105.07002	0.6
106.06538	0.4
108.04456	0.8
108.08103	1.6
111.04412	0.4
116.04947	0.9
118.06608	0.4
119.07242	0.3
119.08534	0.5
120.04441	1.0
120.07243	0.3
120.08102	5.5
122.06025	7.3
124.07585	0.6
131.00148	0.3
131.08554	0.5
134.05971	0.7
135.06743	0.4
136.07571	5.0
140.07037	0.9
144.04417	1.1
144.08112	0.6
146.05994	20.8
147.11633	0.5
148.07558	15.5
149.01239	0.4
150.05493	2.4
150.09050	0.4
160.07584	1.3
162.05487	0.9
162.09081	0.5
164.07039	0.9
166.08691	0.5
168.06569	1.5
170.09697	0.7
172.03941	5.1
172.07591	1.6
180.10086	0.3
182.08109	1.4
184.07559	0.7
184.11215	0.7
185.10693	1.9
186.09081	0.6
187.12233	1.5
190.04970	15.4
196.07542	0.4
196.09811	0.6
197.10712	0.9
198.09164	6.1
198.11264	0.5
199.08640	1.1
199.12387	0.8
200.09358	0.5
200.12930	0.4
201.10207	3.5
201.13744	0.6
202.14508	0.5
209.10725	0.5
210.09253	0.4
210.11502	0.4
211.08569	0.7
211.12291	0.4
212.10818	3.5
213.10165	4.4
213.13742	0.3
214.11005	1.4
215.11778	5.1
218.08163	0.4
223.08548	0.4
223.12282	0.9
225.10219	4.8
225.13899	0.9
226.08618	1.4
226.10904	0.7
227.08148	2.8
227.11699	2.4
228.08859	0.5
228.12563	2.0
229.09731	2.6
229.13443	1.1
230.14212	0.4
237.10210	0.7
238.10977	0.9
239.09674	0.4
239.11723	1.6
240.10181	1.1
241.09706	6.9
241.13283	4.0
242.08289	0.3
242.10466	12.5
243.11256	21.3
244.11868	1.5
245.12860	0.6
249.10283	0.7
251.11823	1.4
252.08667	7.7
253.13327	3.3
255.11302	3.5
256.09396	0.6
256.12045	9.8
257.10721	0.4
257.12842	9.9
258.11270	1.8
258.13370	1.7
259.10663	0.3
263.11621	0.3
264.09006	0.3
267.08945	2.7
267.11386	1.3
269.09329	0.4
271.14481	0.6
272.12698	0.8
273.12360	0.4
273.43839	0.4
274.13690	0.3
274.14316	0.3
277.09467	0.4
279.11255	1.1
281.09827	0.4
281.12860	6.6
283.10776	0.6
284.11539	5.8
285.12360	42.3
286.12802	1.5
287.10107	1.8
289.15439	4.1
296.11502	0.5
297.12311	0.5
299.10626	0.4
299.13910	1.8
301.11905	1.2
302.12619	3.9
307.10727	0.6
308.11569	0.5
309.10028	0.4
316.14212	0.8
317.14926	100.0
318.15259	2.5
323.11838	0.4
325.11905	2.4
341.15002	1.2
342.12189	0.6
342.15985	0.6
343.13025	0.9
356.14026	0.8
357.14557	1.2
358.15305	0.9
367.13025	0.8
370.15356	0.8
371.16562	0.4
374.18839	0.5
385.13907	18.9
386.14493	0.6
386.18591	0.7
400.16574	1.2
411.11810	3.6
412.16501	0.9
417.16833	0.8
418.17590	3.6
429.12836	1.1
430.17593	4.3
450.20023	0.8
453.18512	0.3
467.15903	0.3
474.16299	1.6
478.28070	0.4
485.16916	2.8
501.23157	0.6
565.24524	1.2
578.21350	0.4
583.25287	0.7
609.24054	0.4
625.26556	3.1
651.24121	0.5
669.25354	2.9
683.27344	0.5
727.24573	0.7
727.36255	0.5
745.34528	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	745.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42889	0.3
55.05435	0.4
57.03402	0.4
58.73409	0.2
61.02868	1.0
65.03895	0.3
66.03417	0.4
67.05443	1.9
69.03382	0.6
69.07007	0.3
69.49957	0.2
70.06550	0.6
70.28158	1.0
71.04943	0.3
73.02867	0.6
79.05432	0.9
81.03402	1.6
81.07045	1.2
83.04922	0.4
84.08080	0.3
85.02862	0.7
86.09650	0.3
91.03939	0.4
91.05411	1.1
93.03326	0.3
93.06974	1.2
94.06562	1.7
95.04894	1.0
95.08543	0.6
97.02808	0.8
97.06487	0.4
101.02292	0.3
103.05402	0.4
105.06996	0.7
106.06494	0.5
107.08556	0.3
108.08047	0.8
109.02776	0.3
109.10104	0.6
116.04943	0.5
117.07012	0.3
119.08556	0.4
120.08103	1.8
121.10088	0.7
122.06019	5.2
123.11617	0.3
124.07563	0.4
127.03866	0.6
129.03583	0.2
131.08516	0.4
134.05943	0.6
136.07573	3.0
138.09085	0.3
140.06996	1.0
144.04390	0.8
144.07968	0.3
144.81148	0.3
145.10126	0.4
146.06001	7.7
148.07567	5.8
149.09509	0.4
150.05478	2.0
160.07518	0.6
162.05420	0.3
164.06969	0.3
168.06548	1.9
170.09555	0.4
172.03889	2.4
172.07506	1.0
176.54005	0.3
181.08740	0.3
182.08139	1.8
182.09566	0.4
183.09100	0.4
184.07388	0.4
184.11203	0.6
185.10709	1.5
187.12193	0.4
190.03377	0.4
190.04987	6.0
193.12242	0.3
196.07600	0.4
196.09630	0.6
197.08336	0.3
197.10718	0.4
198.09192	1.9
199.08598	0.9
199.12286	1.0
200.09258	0.4
201.10228	3.0
202.14609	0.4
210.09291	0.3
210.11285	0.3
211.10156	0.4
211.12263	0.4
212.08954	0.4
212.10934	1.8
213.10110	2.9
214.10924	0.9
215.11795	2.4
218.08003	0.3
218.42595	0.2
223.08681	0.4
223.12132	0.4
225.07999	0.5
225.10190	3.3
225.13759	0.3
226.08600	0.4
226.10742	0.5
227.08165	2.2
227.11774	1.4
228.08846	0.3
228.12549	1.0
229.09724	2.7
229.13109	1.2
230.14058	0.6
234.07512	0.3
237.10196	0.5
239.09543	0.4
239.11758	1.1
240.10201	0.7
241.09695	5.6
241.13367	3.7
242.08421	0.4
242.10477	10.4
243.11266	4.7
244.09770	0.4
244.11835	1.2
245.12737	0.3
249.10339	0.3
252.08589	1.5
253.13339	1.3
255.11250	2.2
256.12070	8.7
257.10608	0.6
257.12839	9.9
258.11343	1.9
258.13287	1.6
259.10696	0.4
267.11484	1.3
268.09778	0.3
269.09125	0.5
271.14258	0.7
272.12778	0.9
274.13303	0.4
279.11218	0.9
281.12839	2.3
283.10669	0.4
283.15207	0.5
284.11551	7.3
285.09851	0.6
285.12399	4.4
286.13083	0.4
287.10165	1.5
289.15414	4.5
299.13895	1.0
301.08875	0.4
301.11893	0.6
302.12646	3.3
303.13455	0.4
307.10715	1.0
316.13998	0.5
317.14929	100.0
318.15329	2.2
325.11868	0.7
341.14984	0.4
373.10403	0.4
385.13861	5.7
385.18359	0.5
411.11890	2.0
413.17886	0.4
427.19287	0.3
429.12952	0.3
430.17819	0.3
450.20410	0.6
467.19028	0.4
485.19730	0.8
501.23129	2.2
641.31494	1.9
657.29266	0.5
673.34216	0.5
687.35669	0.8
695.32281	0.3
701.27863	0.4
701.38416	0.4
727.24805	0.5
727.35596	0.8
745.35132	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	745.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.05486	1.4
55.93515	5.6
56.94304	1.8
65.03933	2.4
67.05488	5.6
69.03413	4.4
70.06586	15.7
70.95851	7.0
71.38715	1.1
71.59383	2.4
72.08160	2.4
72.93777	10.7
78.86799	1.3
79.05506	2.1
81.03409	3.2
81.07052	3.0
84.04475	1.9
84.08123	5.5
85.02897	5.2
85.06584	1.4
85.77094	1.2
86.09671	5.4
88.96919	3.2
90.94819	5.8
91.05462	9.9
93.07039	6.4
95.04946	2.8
95.08595	9.8
97.02881	2.8
98.97578	3.4
105.03374	2.2
105.07014	13.2
107.04913	1.5
107.08585	5.7
108.95836	2.5
109.06514	2.4
109.10187	1.5
114.94844	1.5
116.96352	2.9
116.98611	4.7
119.04933	7.6
119.08564	14.0
121.06491	1.8
121.08649	1.4
121.10127	6.7
123.08056	8.2
127.03923	3.1
128.06297	2.4
128.96315	2.8
129.07072	1.7
131.08566	3.8
132.95830	12.2
133.06496	5.7
133.10127	9.5
134.97354	2.1
136.07529	2.0
137.09576	3.0
140.39307	1.7
142.97884	5.7
143.08539	5.3
144.95782	7.1
145.10115	5.6
146.97377	3.6
147.04398	25.5
147.07979	3.2
147.11674	22.4
148.04753	2.8
148.12431	4.7
149.09598	23.0
150.96867	10.3
151.07683	1.7
154.97867	9.4
156.09367	3.6
157.10002	1.5
158.97383	13.6
158.99663	2.1
159.08067	2.2
160.98984	3.1
161.09671	2.1
161.13217	5.4
162.96887	8.3
163.03873	1.8
165.12770	1.6
166.97925	3.4
170.97459	2.5
171.11674	3.8
172.97577	1.5
172.98940	7.8
174.10361	2.9
174.96881	47.8
175.11163	10.0
176.98477	9.0
177.00781	1.7
179.01459	2.2
180.99489	5.1
186.96857	7.7
187.11180	4.8
189.12724	25.6
190.13387	2.3
191.14249	1.8
192.97971	6.6
192.99474	1.8
195.01016	16.1
196.98859	2.8
197.02634	3.0
198.96930	4.4
199.00572	3.7
203.05321	1.6
204.97923	2.9
204.99600	3.3
207.01004	2.9
207.13782	5.4
209.02702	2.6
211.00580	1.7
213.02213	7.5
216.97852	9.2
221.02617	5.6
223.00510	16.7
223.04117	1.7
225.02138	2.8
229.15491	1.9
233.06328	1.6
234.98964	60.6
235.04045	6.8
235.99327	1.4
239.03645	34.3
249.02051	6.3
251.03687	2.3
252.99991	16.7
253.05212	9.2
255.06804	1.8
261.05704	32.2
262.05710	1.8
263.03723	6.6
263.07315	4.0
263.09933	2.8
265.01791	1.6
272.93549	2.8
275.03403	2.9
277.05209	2.1
279.06732	53.0
281.04507	1.4
281.08264	5.7
289.05148	1.6
297.07813	28.5
302.08356	2.6
303.06693	8.1
305.08026	7.7
311.09381	1.7
314.94598	9.7
315.06479	2.9
317.08289	5.1
321.00497	1.9
321.07819	22.1
323.12210	3.8
332.95734	35.3
333.07791	15.9
333.11581	2.1
335.09360	2.1
339.08969	7.0
341.01422	5.3
347.09137	2.5
350.96619	8.5
351.08789	3.7
359.02338	7.5
363.08832	5.3
373.98618	2.7
375.14362	4.3
377.03458	9.7
381.09790	8.9
395.04620	3.0
405.09921	7.0
419.04309	2.4
419.15338	3.1
423.11011	35.1
425.14716	2.2
431.25342	1.6
441.12027	100.0
442.12302	2.3
449.17953	1.9
457.15936	1.8
461.05887	1.9
467.18698	3.5
479.06653	2.5
485.19614	6.8
503.06647	2.7
521.07825	12.6
522.07953	1.6
523.11584	2.2
539.00647	2.9
539.08740	38.9
547.14008	1.8
565.15448	10.0
583.16602	12.3
647.24762	2.5
691.25214	1.9
745.22388	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	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01849	2.3
55.05506	30.6
57.03431	21.3
57.07060	4.1
60.32447	2.1
61.02913	5.5
62.35485	2.0
65.03943	2.9
67.05499	72.9
69.03417	4.9
69.07058	15.1
69.86018	11.6
71.04980	7.1
79.05059	3.3
79.05490	52.7
81.03415	76.0
81.07052	74.1
83.04978	20.3
83.08612	27.9
85.02897	30.9
85.06537	2.2
91.05474	54.7
93.06466	3.1
93.07036	52.0
95.04968	32.9
95.08601	46.9
97.02883	5.8
97.06515	5.1
97.10128	5.1
99.08101	2.7
105.07030	39.7
105.07737	1.3
107.04935	5.8
107.08588	27.6
109.06520	5.2
109.10145	20.1
111.04428	4.0
111.08088	12.0
113.05964	2.9
115.05376	2.7
117.07001	6.4
119.08593	27.3
121.06496	3.3
121.10126	28.3
123.08070	3.7
123.11689	5.0
125.09586	3.5
129.07011	15.2
131.08566	17.4
133.06479	2.8
133.10130	21.1
135.11685	11.6
142.07741	4.2
145.10133	8.1
147.08069	4.8
147.11713	18.5
149.09587	6.4
149.13242	4.3
157.10164	13.8
159.11679	7.7
161.13275	5.1
163.11232	2.6
163.14754	2.3
165.12729	4.0
173.13300	3.8
175.11191	14.2
184.07408	3.1
193.10403	2.9
193.12224	53.0
211.13281	75.1
227.19981	4.1
237.70757	2.2
243.21141	4.1
261.22214	10.9
266.29367	2.0
267.15900	17.7
285.16934	82.2
335.25775	77.6
335.29858	2.9
344.93152	2.3
471.34146	2.6
481.41705	2.2
527.37189	12.7
545.38324	100.0
585.22314	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	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01867	2.2
55.05267	1.5
55.05508	20.0
57.03436	15.6
57.07074	2.8
61.02914	3.3
65.03933	3.4
67.05501	51.5
69.03422	4.2
69.07072	14.8
71.04985	4.3
79.05488	42.7
81.03414	52.2
81.07053	56.6
83.04984	12.4
83.08614	21.8
83.14758	1.6
85.02907	22.6
85.03407	1.1
86.09686	4.8
87.04452	1.6
91.03944	1.6
91.05478	36.1
93.07042	41.7
95.04965	18.5
95.08600	34.8
97.02873	6.1
97.06509	4.5
97.10152	5.4
99.08084	1.9
105.07027	25.0
107.04939	6.2
107.08587	21.1
109.06499	5.0
109.10149	12.1
111.08070	7.6
113.05969	2.2
117.06998	5.6
119.08578	23.0
121.10119	19.9
123.08126	1.7
123.11707	5.6
125.00002	2.7
125.09585	2.9
129.06993	9.8
131.08565	13.6
133.06491	2.0
133.10120	15.2
135.11668	8.5
137.09586	2.6
137.13255	1.7
142.07796	3.2
143.08635	1.4
145.10094	5.5
147.08017	3.4
147.11655	14.5
149.09563	3.6
149.13242	4.1
157.10120	14.0
159.11708	4.3
161.13217	2.9
163.14792	3.0
165.12746	2.2
171.11731	1.5
173.13229	4.1
175.11192	12.8
175.14799	1.5
178.14819	1.4
184.07301	9.7
185.07640	3.3
193.12231	33.3
211.13287	45.4
227.20076	6.1
243.21091	2.5
261.22128	10.4
267.15894	14.3
285.16956	48.9
335.25781	84.1
435.32724	2.4
516.26843	1.5
527.37183	14.1
545.38342	100.0
743.42493	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	742.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.1
55.05257	1.3
55.05508	17.5
57.03439	9.1
59.04994	0.8
61.60083	0.7
65.03933	1.9
67.05502	19.9
69.03420	2.9
69.07066	6.5
69.52874	3.7
69.53316	3.1
70.06598	6.8
71.04988	4.5
72.08176	0.8
78.22587	0.7
79.05048	1.7
79.05485	21.3
81.03414	48.0
81.07050	19.9
83.04968	4.7
83.08618	16.7
84.08152	1.1
85.02903	2.8
85.06543	1.6
86.06100	0.9
86.09712	0.8
90.91355	0.7
91.04903	0.9
91.05473	18.1
93.07043	17.1
95.04968	21.7
95.08595	9.4
97.02895	2.4
97.06527	4.5
97.10170	16.2
105.07034	12.2
107.04951	18.5
107.08585	12.5
109.06510	16.5
109.10141	7.2
111.04440	1.2
111.08085	4.2
115.05479	0.8
117.07005	5.9
119.04952	1.2
119.08574	12.4
121.06496	13.3
121.10136	11.2
123.04427	2.1
123.08080	4.9
123.11709	1.2
125.09629	13.0
127.03887	0.8
129.06987	9.0
131.04919	1.6
131.08568	12.8
133.06474	4.0
133.10121	6.2
135.08046	8.2
135.11694	1.9
137.09593	2.2
139.11156	2.9
141.06985	2.4
142.07773	1.4
143.08556	2.5
145.06516	6.9
145.10103	5.7
147.04446	1.4
147.08026	6.2
147.11693	5.6
148.07573	1.4
149.09628	4.3
153.09062	1.9
153.12740	1.0
155.08504	1.8
156.73293	0.7
157.06461	1.1
157.10118	7.3
159.08040	2.8
159.11700	1.6
161.06000	1.4
161.09612	1.9
163.07436	0.8
163.11154	4.8
165.12781	1.9
167.08598	1.1
167.10728	1.2
169.10115	1.8
171.07979	1.7
171.10246	1.0
171.11629	2.2
173.09586	1.5
173.13275	2.8
175.11177	6.5
177.05385	1.0
177.12683	1.5
183.11734	1.0
185.13219	1.1
187.11240	1.4
189.11247	5.7
189.12677	1.9
191.14322	3.2
193.12245	16.0
195.11577	1.3
197.09615	0.9
197.13382	1.5
199.11168	1.5
201.12744	1.5
205.12282	1.2
211.13235	1.9
213.12715	1.9
217.12224	1.1
219.13799	9.2
223.13214	1.0
224.12331	0.9
225.12659	1.0
227.12743	2.8
233.15263	4.1
235.13225	0.8
237.14917	0.9
243.11346	1.7
249.14801	1.9
255.13829	1.6
259.15390	7.0
267.15903	38.3
268.16089	1.0
271.17044	1.1
273.14734	6.1
285.12289	1.4
293.17566	5.9
321.22223	1.2
339.23160	1.6
349.21613	3.2
357.24438	2.3
367.22635	13.1
367.26846	1.3
372.07437	1.0
385.23706	22.4
403.24765	10.2
433.25900	1.1
441.26340	7.6
451.26978	4.1
459.27380	100.0
460.27759	3.3
477.28455	84.5
478.28787	2.4
491.30167	8.4
495.29572	6.2
501.28470	2.8
509.30911	4.3
567.29712	1.6
638.17334	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	741.2228
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
54.61335	0.3
55.05493	0.6
57.03444	1.8
61.02927	1.4
67.05482	0.5
68.99782	0.6
69.03432	1.4
69.41840	0.5
69.42244	1.9
70.06588	4.0
71.01334	0.5
71.04987	12.0
72.08143	0.8
73.02905	1.0
75.04475	0.8
78.73589	0.3
79.05517	0.4
81.03413	0.5
83.04974	3.5
84.04490	0.5
84.08126	1.6
85.02899	17.5
86.06026	0.3
86.09699	1.0
87.04456	0.5
91.03939	0.9
91.05457	0.3
95.04944	0.9
97.02872	1.0
97.06487	0.3
99.04454	0.8
99.09138	0.2
107.04971	0.3
109.02855	0.9
109.27849	0.3
110.07153	0.6
111.00827	0.4
111.04440	3.0
113.06033	0.3
117.05486	0.9
120.08073	0.9
120.62928	0.3
121.02849	1.8
121.06501	0.4
123.08047	1.2
127.03918	1.2
129.05473	5.5
129.10245	0.8
136.07550	0.4
137.02321	0.3
145.04951	0.3
145.06409	0.3
147.04439	0.6
147.06488	1.8
153.01811	2.6
153.05467	1.0
158.11717	0.2
163.05991	1.0
165.01813	1.0
183.02884	0.5
184.51958	0.3
201.07509	0.5
213.05420	1.0
221.07944	0.3
231.06529	0.3
239.09198	1.3
241.04965	0.6
257.09915	0.3
258.05209	0.8
259.05789	0.3
275.11169	0.4
287.05478	100.0
288.05731	1.4
295.08667	0.4
299.05438	0.8
305.01221	0.5
323.65894	0.3
329.06442	1.3
353.06461	1.2
365.64673	0.3
397.09183	0.8
401.79080	0.3
415.10202	0.3
431.09882	0.5
433.11169	1.2
449.10675	1.5
580.20551	0.3
677.56519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.5
57.07056	0.2
58.06358	0.2
58.06618	0.6
60.07866	0.4
60.08154	5.0
67.05498	0.9
69.07070	0.2
71.07365	2.7
71.60901	0.3
71.61292	0.2
72.00311	0.2
79.05492	0.4
81.03384	0.3
81.07031	0.6
86.09695	28.5
87.25758	0.2
91.05453	0.5
93.07022	0.4
95.08594	0.6
98.27711	0.2
98.98463	2.4
104.10712	2.8
105.07016	0.3
109.10152	0.3
118.50116	0.2
124.99988	18.6
143.01064	0.2
164.68542	0.2
184.07314	100.0
185.07645	0.5
323.66357	0.2
335.25555	0.3
365.72443	0.2
647.34949	0.2
650.43817	9.7
740.46710	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	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01864	2.4
55.05508	14.9
57.03437	7.1
57.07066	1.9
61.02928	1.7
65.03945	1.2
67.05502	40.1
69.03410	2.4
69.07066	12.4
69.93858	7.3
73.02888	1.3
79.05489	39.6
81.03415	4.0
81.07053	41.1
83.04973	3.2
83.08602	9.2
85.06546	2.2
91.05474	13.9
93.07042	52.3
95.04984	7.2
95.08603	50.3
97.02888	3.2
97.06521	4.2
99.04455	3.9
105.07027	12.3
107.04974	9.5
107.08595	32.9
109.06543	2.2
109.10152	8.7
111.04458	1.6
117.07027	8.9
118.31245	1.3
119.08590	13.6
121.06515	6.2
121.10142	22.2
123.08060	2.1
123.11678	1.9
125.05992	3.6
131.08563	4.8
133.10159	4.9
135.08081	1.9
135.11684	46.9
136.11987	2.0
139.07516	2.0
145.10123	25.1
147.11679	2.3
149.13269	3.2
159.11763	2.0
161.13258	2.3
163.11176	52.3
173.13258	2.0
177.83649	1.4
181.12225	8.0
184.07408	2.0
193.40924	1.4
227.12779	86.7
243.21111	3.7
261.22134	7.4
273.09772	1.4
274.62311	1.5
283.15399	96.4
284.15793	2.6
292.30276	1.2
317.24719	2.3
335.25784	100.0
336.26218	3.0
543.36829	91.3
544.36957	4.2
568.47437	1.6
688.56146	1.4
739.89838	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	738.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38866	0.1
56.05032	0.5
58.06632	0.4
60.08157	5.8
62.85861	0.1
64.04070	0.1
67.05495	0.2
69.47217	0.6
69.47639	0.3
71.07362	3.0
71.07742	0.2
71.08624	0.2
80.12688	0.1
81.03412	0.3
81.07052	0.1
86.09695	28.0
95.08569	0.1
98.20765	0.2
98.98452	2.8
102.48174	0.1
104.10730	2.2
104.11401	0.1
119.08591	0.1
124.99992	17.7
143.01041	0.3
157.10216	0.1
166.82491	0.1
184.07320	100.0
185.07642	0.4
264.42221	0.1
265.81216	0.1
267.15936	0.2
299.57791	0.1
313.27466	0.1
350.67374	0.1
496.33911	0.2
505.38669	0.3
532.33728	0.1
593.21039	0.1
622.79657	0.1
626.17993	0.1
688.45343	6.9
689.45502	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	740.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
55.01865	9.6
55.05513	11.1
56.96536	1.8
57.03431	14.5
57.07064	1.7
61.02926	2.1
65.03926	2.4
67.05499	46.7
69.03404	5.6
69.07057	10.9
69.84747	9.8
70.06584	7.9
70.93396	1.6
71.04980	6.7
79.05491	41.3
81.03414	81.4
81.03902	3.9
81.07051	34.7
83.04977	23.5
83.08614	19.4
84.08091	1.8
85.02897	6.4
85.06506	4.0
86.09685	3.8
91.05477	36.0
93.06461	2.7
93.07037	39.6
95.01321	3.6
95.04963	31.0
95.08602	16.0
97.02879	7.1
97.06533	12.6
97.10143	6.1
99.04490	3.6
99.08080	2.3
103.05472	2.2
105.07027	23.0
107.04948	31.5
107.08577	22.7
109.02872	2.4
109.06503	5.4
109.10158	12.0
109.81445	1.7
111.04430	24.8
111.08068	15.6
115.05441	3.8
117.07008	14.2
119.04977	1.8
119.08575	24.0
121.06525	9.2
121.10133	33.7
123.04429	4.4
123.08047	4.3
125.05968	3.8
125.09615	6.3
127.03876	2.0
129.07025	10.5
130.07796	1.6
131.04909	3.3
131.08551	19.3
133.06476	4.3
133.10098	7.2
135.04427	1.7
135.08043	3.4
135.11694	28.4
137.05995	2.8
137.09604	5.1
139.11185	1.9
143.08524	4.0
145.06474	5.1
145.09041	2.8
145.10110	34.3
147.08026	6.2
147.11647	8.7
149.09593	11.1
153.12759	11.5
155.08551	7.5
157.10062	9.9
161.05969	3.3
163.11179	38.5
163.28717	1.9
171.11665	2.8
173.08224	3.0
173.09593	25.6
175.07541	1.8
175.11179	9.0
181.12245	18.3
184.07303	3.3
191.10672	22.7
193.12244	27.3
200.56204	1.6
209.11729	7.9
211.13287	5.1
223.13136	2.3
227.12756	18.2
229.14204	2.4
235.13269	1.8
249.14935	2.1
259.13235	2.3
265.14316	28.6
267.15897	88.6
268.16269	2.9
271.13300	2.2
283.15372	74.0
289.14301	2.9
301.16470	66.7
305.82529	1.9
355.22656	2.6
365.21024	2.8
383.22043	8.0
401.23276	6.6
447.27200	7.3
457.25833	27.4
475.26889	89.6
476.27008	2.0
493.27936	100.0
494.28519	2.9
517.27686	3.1
535.29681	1.8
601.29974	2.6
740.38287	2.4
771.28644	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	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.01875	2.4
55.05265	1.0
55.05511	12.0
57.03436	6.5
57.07074	1.3
60.60177	0.9
61.02908	1.0
65.03942	2.1
67.05505	35.6
67.51735	0.9
69.03434	1.5
69.07066	9.0
70.18125	3.7
71.04984	1.4
73.02914	1.1
79.05494	26.9
81.03421	1.4
81.07055	35.6
83.04964	2.7
83.08612	7.2
85.02899	1.0
85.06554	0.8
86.09707	1.0
91.05479	12.2
93.07046	39.0
95.04961	4.8
95.08605	41.5
97.02906	2.4
97.06526	3.7
97.10172	2.3
99.04479	2.6
105.07019	8.6
107.04952	3.0
107.08591	26.4
109.06496	1.8
109.10159	9.5
111.08056	1.4
117.07020	6.3
119.08579	9.8
121.06500	2.9
121.10150	13.6
123.11694	2.4
125.06040	1.8
127.03831	1.0
131.08575	3.9
133.10132	6.0
135.08080	2.4
135.11688	31.1
137.13234	1.0
139.07545	1.4
143.82420	0.9
145.02887	0.8
145.10123	19.1
147.11705	1.2
149.13313	1.8
153.12756	0.9
159.11794	1.6
161.13364	1.5
163.11185	38.8
163.14833	1.2
173.13289	1.0
177.05536	1.1
181.12196	6.1
184.07414	3.0
209.11763	1.3
227.12769	55.0
243.21169	2.2
261.22195	7.2
267.04395	0.9
283.15390	50.6
284.29703	1.0
292.19781	0.9
317.24786	1.9
322.16376	0.9
335.25790	100.0
336.26178	2.8
384.95624	0.8
543.36804	75.7
544.37122	3.7
555.35547	1.0
769.42767	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	738.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.1
53.03946	3.8
55.01860	6.0
55.05510	18.7
56.96567	2.1
57.03437	17.4
59.04970	2.1
61.02921	2.2
67.05503	26.0
69.03424	6.8
69.07069	5.6
69.27204	12.0
69.27633	6.6
70.06600	7.2
71.01357	3.1
71.04983	3.8
72.08118	2.4
73.02924	3.2
79.05490	21.1
81.03416	75.3
81.07056	27.4
82.44238	1.5
83.04984	9.0
83.08612	25.0
84.08129	2.1
85.02901	5.9
85.06526	3.4
86.09683	4.2
91.05478	32.8
92.05834	2.1
93.07042	23.1
95.04971	28.2
95.08598	11.2
97.02896	9.9
97.06504	5.6
97.10172	7.6
98.21508	3.2
99.00795	12.5
103.05478	2.4
105.07027	25.0
107.04951	15.8
107.08595	13.0
109.02883	12.8
109.06529	8.0
109.10149	10.0
111.04425	3.4
111.08090	9.0
111.39601	1.3
112.07667	1.4
113.06026	1.5
115.03942	1.4
115.05404	2.3
117.07003	7.0
119.04922	1.5
119.08568	18.7
121.06509	10.4
121.10136	9.4
123.04401	3.6
123.08058	3.3
123.11724	2.5
125.09648	7.3
127.03907	3.7
129.07030	8.0
129.10246	2.4
131.08580	9.0
133.06482	5.1
133.10130	41.0
135.08060	2.3
137.05986	4.0
137.09592	3.6
139.07565	3.0
143.08554	6.2
145.06488	3.3
145.10083	6.4
147.08098	5.2
147.11708	8.0
149.01373	1.8
149.09605	6.6
151.11140	9.3
153.09016	2.6
157.10162	9.0
159.11783	1.8
161.06059	2.0
161.09607	18.1
163.11205	2.6
165.09135	2.7
165.12834	2.1
171.08061	5.8
173.13213	1.6
175.11197	9.6
175.40167	1.7
179.10632	9.5
189.09094	10.8
189.11220	4.8
193.12270	24.4
197.11781	3.0
207.10158	5.2
209.11595	2.3
211.13315	6.2
219.13753	7.4
225.11131	10.8
227.12773	6.3
231.09872	1.5
236.12689	1.6
263.13141	2.2
267.15903	99.5
268.16141	1.8
281.13818	6.3
283.15265	4.8
285.10080	3.0
285.16931	4.0
299.14886	82.9
303.05182	1.9
309.16711	1.7
381.20468	2.2
389.23148	3.5
417.23080	3.3
445.25806	11.0
459.27252	8.6
463.26849	6.1
473.25320	27.4
477.28354	6.0
491.26395	100.0
492.26675	4.2
509.27347	5.2
533.27008	2.4
738.40399	3.1
750.68982	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	737.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01864	7.4
55.05256	2.5
55.05505	36.7
57.03431	11.8
57.07064	2.2
59.05007	1.6
61.02920	25.4
65.03927	3.2
67.05495	60.8
69.03423	13.7
69.07059	20.3
70.06583	27.4
71.04984	12.6
71.60419	1.9
72.08122	3.0
73.02901	8.9
79.05482	43.2
81.03409	16.4
81.07046	50.9
82.25586	1.4
83.04951	7.4
83.08602	16.8
84.04493	4.6
84.08139	1.7
85.02899	21.8
85.06535	7.0
86.09205	2.4
86.09701	30.2
87.04465	2.8
87.10041	1.8
91.03937	10.8
91.04892	2.0
91.05464	42.0
93.07032	43.3
95.04950	10.2
95.08598	38.3
97.02881	19.7
97.06503	8.0
97.10157	19.4
99.04448	2.7
99.08101	4.0
101.02390	3.2
101.07101	1.9
103.03995	1.6
105.07016	39.0
107.04932	6.7
107.08574	26.5
109.02851	3.1
109.06504	6.3
109.10141	20.2
111.08061	4.2
115.05431	5.2
117.07018	20.8
119.08563	30.2
120.08083	6.7
121.06505	4.6
121.10130	18.9
123.08063	6.4
123.11681	5.5
125.09615	15.8
127.03906	4.7
128.06219	5.4
129.06984	21.2
130.06477	2.4
130.07755	2.7
131.08545	34.2
133.06474	3.8
133.10109	24.8
135.08020	6.8
135.11668	6.4
137.09598	4.1
139.11150	2.1
141.06941	7.9
141.10219	6.6
142.07782	5.2
143.08554	20.5
145.04912	2.0
145.06432	3.8
145.10089	27.0
147.07985	6.5
147.11646	13.5
149.09589	7.4
149.13211	4.6
151.11156	2.8
155.08522	15.9
156.09367	2.5
157.10091	24.0
159.08017	4.1
159.09151	4.2
159.11664	25.3
161.09589	4.6
161.13239	6.9
163.11169	6.5
165.06912	1.7
167.08534	5.6
169.10030	15.9
171.08002	2.7
171.11652	17.3
173.09578	5.0
173.13216	12.0
175.11218	6.3
175.14864	1.9
179.08533	2.6
181.10056	9.0
182.10843	1.9
183.11676	13.6
183.14844	1.9
185.09648	2.7
185.13266	12.4
187.11174	4.6
187.14810	5.3
189.11189	9.2
189.12798	4.4
193.10066	3.5
193.12051	2.9
195.11670	12.0
197.13245	10.4
199.11134	2.6
199.14778	5.3
201.12692	2.1
203.14240	1.8
207.11618	3.2
209.13251	8.3
211.14717	6.2
213.12686	2.5
213.16309	3.8
215.14272	2.4
217.15784	3.7
219.11768	2.2
221.13316	2.8
222.13936	2.1
223.14848	5.3
225.12636	2.7
225.16370	2.1
227.12668	12.4
229.14262	3.8
233.13266	2.7
235.14838	2.6
239.17984	1.9
257.18991	1.8
258.12427	2.3
259.20575	4.2
265.19440	4.2
267.15884	3.5
271.20520	2.5
273.18680	3.0
275.20013	4.3
283.20517	6.4
285.18652	2.3
285.22092	4.1
287.20151	2.5
291.19476	2.7
295.20444	2.7
299.20218	2.9
299.23633	9.5
301.21637	3.5
307.20300	1.7
313.21616	2.7
315.23407	2.0
321.22003	3.1
325.21603	2.0
327.23019	2.1
339.23114	3.5
351.23053	2.3
353.24896	1.9
357.24271	2.6
359.25992	1.9
361.23972	1.9
365.24451	2.7
369.24234	1.9
409.27164	1.7
415.29865	6.9
421.25742	5.7
423.27264	1.7
433.30997	23.1
435.32477	1.8
443.27792	5.2
451.31973	16.6
461.28854	4.8
465.33575	1.6
469.32996	6.1
471.32370	3.1
483.34851	3.2
489.33929	2.5
507.34750	10.7
517.35175	28.7
525.35706	76.1
539.36865	2.3
541.34241	1.7
543.36749	100.0
544.37018	2.2
557.38538	29.7
575.39502	33.7
679.40222	6.3
687.40668	5.6
705.42291	3.9
737.43921	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	733.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01873	0.4
55.05496	1.2
57.03416	0.6
61.02906	0.9
65.03938	2.4
66.03445	2.7
67.05490	2.8
69.03414	1.1
69.07063	1.1
70.06584	2.8
70.57664	1.4
72.08135	1.1
73.02908	0.6
75.18211	0.4
77.03928	0.8
79.05490	3.2
80.83763	0.4
81.03392	2.0
81.07040	1.3
82.63971	0.5
83.08607	0.5
84.04490	1.0
84.08113	1.3
85.02876	1.6
86.09698	3.2
89.03908	0.5
91.03977	0.5
91.05461	4.1
93.03391	5.0
93.07040	3.0
94.06551	5.5
95.04951	1.7
95.08582	1.4
96.08123	1.4
97.02876	1.2
97.06524	2.7
98.20813	0.5
99.04440	0.5
103.05462	1.6
104.10734	0.7
105.04532	0.4
105.05767	0.5
105.07032	0.9
106.06546	1.3
107.04953	0.5
107.08581	0.5
107.98033	0.4
108.04449	1.0
108.08088	3.0
109.02865	0.7
109.06510	0.5
109.10129	1.5
116.04967	1.3
117.05774	0.7
118.06526	2.7
119.08540	1.3
120.04454	1.1
120.08090	10.8
122.06014	14.4
122.06888	0.8
124.07570	5.7
127.03929	0.7
130.06487	0.5
131.04890	0.5
132.08063	0.6
133.10091	0.5
134.06007	5.9
135.06766	0.9
136.07564	36.3
137.05975	1.4
137.09589	2.0
138.05490	0.4
138.09114	1.6
140.07028	0.9
144.04390	1.9
144.08058	0.5
145.10065	0.7
146.05994	100.0
147.04387	1.2
147.06616	0.5
148.07556	33.1
149.08310	0.5
152.07047	2.0
153.01817	1.0
157.10088	0.6
160.03934	1.2
160.07561	5.3
162.05493	1.5
162.09100	1.8
163.03897	1.1
164.07053	45.8
165.07239	0.5
165.09085	1.3
166.08563	3.2
170.08215	0.6
172.03914	6.0
172.07515	0.7
172.11250	0.5
173.02396	0.7
173.08217	0.4
174.05498	0.6
177.05447	0.6
181.02759	0.5
182.08119	27.4
184.09734	2.5
184.11142	0.6
188.07098	0.7
190.04976	20.9
195.09119	0.6
196.09956	0.8
198.11475	0.5
206.08055	0.7
208.11296	0.9
209.10716	2.5
210.09657	0.7
210.11380	3.2
211.12306	1.2
215.07138	0.9
223.12245	3.0
224.13113	0.9
225.10278	1.2
225.13811	5.4
227.11838	0.8
227.15451	0.7
234.07530	1.2
234.11369	0.5
236.09271	1.4
237.10262	1.5
238.10956	3.2
239.11800	1.6
243.11305	0.6
249.10249	0.6
250.10974	0.5
251.11743	3.1
252.08670	9.6
252.12660	1.9
253.13338	20.6
253.16011	1.0
255.11316	0.8
255.14931	0.6
256.12003	0.6
257.12988	1.0
259.09613	1.1
266.10480	0.5
267.15768	0.6
269.12936	1.1
271.14401	2.6
278.10495	0.8
279.11252	6.4
281.12830	23.0
282.13123	0.5
283.06213	1.3
285.12320	1.7
287.13754	2.5
297.12286	2.7
299.13876	6.6
301.07355	0.8
303.13394	2.0
305.14938	4.0
307.10724	5.0
311.13806	0.6
313.15527	1.2
315.13409	1.9
317.14703	0.7
325.11859	4.4
329.14926	1.6
339.13089	0.7
341.14877	5.8
343.12970	1.5
357.14478	3.1
367.12744	2.6
385.13898	91.8
386.14194	1.3
387.15439	0.7
411.11868	11.1
420.19141	1.0
429.12781	4.3
432.19250	1.9
438.20233	4.8
443.19052	0.9
450.20181	2.0
464.18011	0.7
475.13568	0.6
476.18024	0.7
487.21329	1.3
490.19644	0.7
492.21173	1.7
493.14618	1.0
536.20282	2.5
539.42114	0.5
550.22028	1.0
552.19708	0.5
554.21521	1.5
568.22711	0.6
585.26672	0.6
594.21008	1.4
603.27332	0.6
671.26813	1.9
687.50134	0.5
689.27606	1.5
715.26099	1.3
733.36249	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	731.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	3.1
56.96556	1.0
57.19259	1.1
58.06607	1.2
70.06587	100.0
70.59546	1.3
70.59892	3.0
72.93784	1.2
74.06072	10.2
81.03391	1.2
84.04475	3.2
84.08147	1.4
86.06040	1.1
86.09702	8.9
87.05568	3.2
88.03996	5.1
88.96888	1.3
91.05460	6.0
101.07137	5.1
110.02370	1.2
110.07111	1.1
119.04936	11.5
125.07098	2.9
126.09283	1.4
127.04991	1.3
133.06085	7.2
138.48950	0.9
141.10214	2.0
142.12231	2.7
143.11758	1.6
145.06088	1.1
147.04388	34.2
148.04691	2.6
150.05412	1.0
151.03951	0.9
158.97415	2.5
167.08170	2.2
173.05550	3.5
176.98441	2.3
182.59985	0.9
183.04036	1.5
185.09183	14.1
186.17924	1.1
187.14404	16.9
195.07622	2.5
195.17406	1.0
196.06030	1.9
202.97908	2.1
213.08688	16.7
215.13882	2.5
218.97365	4.3
220.98953	1.0
224.98274	1.7
234.98842	3.2
236.98405	3.3
251.14749	1.2
268.09354	1.8
270.10941	5.0
271.00333	1.1
286.99948	3.2
287.09930	1.0
293.07614	1.2
295.13983	1.5
303.13599	1.8
304.13928	2.0
305.10736	2.3
315.09164	1.9
319.04755	1.2
321.09454	1.3
328.11328	4.0
330.16537	4.3
365.00702	1.9
367.12387	1.4
375.01773	2.2
384.15207	6.3
385.13379	7.2
393.02606	4.3
393.14551	1.3
402.16159	49.2
403.15826	1.2
411.03369	2.5
466.77405	1.2
499.17908	1.7
500.16125	1.9
517.18854	15.8
539.06049	2.5
599.26306	4.1
713.30804	1.4
731.31171	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	731.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01854	0.8
55.05487	0.5
55.31302	0.3
57.03406	0.4
60.85663	0.4
61.02907	0.4
62.64180	0.3
65.03917	0.4
65.58994	0.3
67.05485	1.0
69.03401	0.8
70.06561	1.1
71.11790	0.8
72.08134	0.8
79.05486	1.9
80.04991	0.4
81.03387	1.5
81.07035	0.6
82.06567	0.4
83.04935	0.4
84.04484	0.5
84.08101	1.0
85.02892	0.7
86.09653	0.9
91.05470	2.1
93.03371	0.4
93.07029	1.7
94.06534	1.5
95.04941	0.8
95.08585	0.7
97.02860	0.8
97.06498	1.1
103.05447	0.9
105.05740	0.4
105.06994	0.6
106.06524	0.6
107.04945	0.5
107.08516	0.6
108.04429	1.1
108.08093	1.1
109.02805	0.4
109.10145	0.6
110.06067	0.4
116.04958	0.4
118.06534	0.7
119.04998	0.4
120.04433	1.1
120.08098	6.3
121.06450	0.4
122.06030	5.1
124.07510	0.5
127.03893	0.4
129.07025	0.5
130.06482	0.4
131.08525	0.5
134.06001	0.8
136.07545	4.5
137.05942	0.9
138.09077	0.5
140.18245	0.4
143.08447	0.5
144.04436	0.6
144.08093	0.9
145.10077	0.5
146.05998	12.0
147.04297	0.4
148.07558	16.2
149.08331	0.9
150.05473	1.2
152.06990	0.4
155.07280	0.5
155.08449	0.8
157.10049	0.4
158.09708	0.5
160.07544	1.3
161.07095	0.5
162.05441	0.9
162.09061	0.6
163.03911	0.6
164.07063	0.9
166.08597	1.0
167.07164	0.4
170.09633	4.0
172.03899	2.7
172.07503	0.9
172.09860	0.8
172.11185	1.2
174.09091	1.1
175.08649	1.1
183.06728	0.8
184.07448	0.6
184.11211	0.7
185.10657	0.4
186.09042	0.9
187.08681	0.4
187.12273	4.6
188.07022	0.6
188.10715	0.6
190.04982	7.4
196.07466	0.4
197.08415	0.4
197.10733	0.7
198.09120	23.6
200.09178	2.9
200.10831	1.2
201.13878	0.4
210.04355	0.4
210.11484	0.5
212.10776	4.7
213.10197	1.1
214.08646	0.5
215.11781	18.5
223.12268	0.5
224.09230	0.7
225.10211	1.7
225.13783	0.5
226.08669	6.1
226.10806	0.4
227.08112	1.0
227.11794	1.2
228.08856	1.0
229.09679	0.7
229.13342	1.0
230.10320	0.4
231.11249	0.8
236.09335	0.5
237.10179	0.6
238.11069	0.5
239.11731	2.1
240.10286	3.0
241.09679	3.0
241.13313	1.7
242.10443	1.8
243.11267	100.0
244.11620	1.8
251.11740	1.3
252.08636	5.5
253.09569	1.1
253.13322	2.6
255.11263	3.9
256.12003	0.6
257.12857	5.9
265.09491	0.4
266.10367	0.4
267.11362	1.2
268.09421	0.5
269.09183	1.4
269.12491	0.4
271.10718	0.6
279.11310	1.1
281.12817	3.8
283.10742	1.4
284.11551	0.5
285.12308	89.6
286.12802	1.8
295.10608	0.5
297.12173	0.6
299.13947	0.4
301.11844	4.9
303.13358	98.4
304.13745	1.9
307.10678	0.9
313.11795	4.0
325.11874	1.2
360.39090	0.5
367.12933	0.6
383.12915	0.4
385.13907	8.9
411.11621	0.7
418.17233	1.0
430.17310	0.7
436.18658	4.6
437.59741	0.4
448.18069	1.9
456.15375	0.4
474.16321	0.7
477.16199	0.5
485.19846	0.5
552.19476	0.8
583.25079	1.4
601.26721	0.5
625.26263	1.0
669.25000	1.9
687.26617	1.2
713.24298	2.1
731.33838	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	731.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
55.01842	0.3
55.05490	0.8
61.02887	0.8
65.03920	0.9
66.03432	0.4
67.05459	1.0
68.14392	0.3
69.03406	0.8
69.07026	0.4
69.35252	3.2
70.06553	1.4
71.04974	0.5
72.08138	0.9
73.02885	0.7
74.52102	0.4
79.05493	1.9
81.03378	1.5
81.07015	1.0
83.04941	0.5
83.08586	0.5
84.08073	0.6
85.02866	1.2
91.05466	1.8
93.03353	0.4
93.07033	1.9
94.06525	1.6
95.04941	0.7
96.08099	0.4
97.02857	0.9
97.06493	0.9
98.21491	0.8
103.05420	1.1
105.07002	0.7
106.06523	0.8
107.04919	0.5
108.04424	1.5
108.08093	1.3
116.04940	0.8
116.90026	0.3
118.06490	1.0
119.04877	0.4
119.07236	0.5
120.04462	4.9
120.07246	0.4
120.08094	7.5
122.06020	4.6
123.07918	0.3
124.07588	0.5
125.17626	0.3
128.06113	0.4
130.06462	0.5
131.08546	0.4
132.08084	0.6
133.10068	0.6
134.05965	1.1
136.06596	0.6
136.07558	5.7
138.05394	0.6
138.09108	0.6
138.89566	0.3
138.99930	0.3
143.08502	0.5
144.04352	0.7
144.08060	0.8
146.05995	11.1
148.07561	18.1
149.08305	1.3
150.05457	1.5
150.09073	0.6
154.06508	0.6
155.07292	0.4
155.08505	0.8
158.05891	0.7
158.09605	0.4
160.07547	1.3
161.07071	0.6
162.05486	1.4
162.09055	0.4
163.23410	0.3
164.07062	0.6
165.06886	0.4
166.08609	1.4
169.08868	0.4
170.09668	3.5
172.03923	3.3
172.07549	1.4
172.11174	1.1
174.09154	0.7
175.08698	2.0
175.11130	0.4
183.06734	0.7
183.83508	0.4
184.07521	0.5
184.11240	1.1
185.08351	0.5
186.09200	0.5
187.08621	0.7
187.12270	4.7
188.10637	0.4
190.04984	9.7
196.07591	0.4
197.10703	0.9
198.09125	26.0
199.03238	0.4
200.07434	0.5
200.09419	2.6
200.10767	1.4
201.13867	0.7
208.09824	0.4
209.10570	0.4
210.09238	0.5
210.11426	0.6
212.10767	4.2
213.10214	0.8
215.11775	19.2
216.10156	0.7
216.12079	0.4
222.11253	0.4
223.12279	0.7
224.08958	0.6
225.10226	1.5
225.13745	0.5
226.08646	6.3
226.10741	0.4
227.08160	1.0
227.11703	2.8
228.08881	1.1
229.09625	0.7
229.13339	1.1
231.11240	1.0
234.07637	0.4
236.09366	0.7
237.10271	0.7
238.10992	0.5
239.08099	0.7
239.11809	1.5
240.10274	3.5
241.09642	2.5
241.13220	1.7
242.10370	2.6
243.11267	100.0
244.11607	1.6
244.13965	0.4
249.10271	0.6
251.11699	0.9
252.08569	7.0
253.09573	1.8
253.13309	1.7
255.11298	6.0
256.11917	1.1
257.12833	5.5
267.11301	1.3
269.09280	0.4
279.11316	1.6
281.12769	4.2
283.10791	0.6
284.11572	1.1
285.12314	90.9
286.12686	1.4
297.12177	0.5
299.13824	0.7
301.11786	4.1
302.12463	0.9
303.13361	94.1
304.13638	1.4
307.10648	1.0
309.12317	0.5
312.12238	0.8
313.11914	1.2
325.11813	1.3
327.13495	0.5
337.12012	0.7
341.15009	0.7
343.13181	0.4
355.12686	1.9
358.15768	0.4
359.12479	0.8
381.10623	0.5
385.13889	10.5
401.13647	0.5
403.16379	0.6
411.11978	1.9
418.17798	0.7
429.13092	0.7
430.17725	1.1
436.18643	3.4
448.18707	3.3
462.16583	0.5
469.20264	0.6
474.16559	1.8
485.19571	0.5
565.24597	1.0
583.25543	1.5
623.25500	0.4
625.26495	1.4
669.24847	1.9
687.26996	1.0
713.24384	1.0
713.34509	0.6
721.23389	0.4
731.33673	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	731.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
56.96548	0.3
61.02886	0.2
65.03922	0.6
66.03445	0.4
67.05484	0.7
69.03412	0.5
69.08591	0.2
69.56895	1.7
70.06571	0.5
73.02894	0.2
79.05484	1.3
80.04990	0.5
81.03391	0.9
81.07024	0.4
85.02898	0.3
91.05464	1.2
92.05871	0.2
93.03381	0.7
93.03970	0.2
93.07022	1.3
94.06558	1.3
95.04935	0.8
96.04473	0.4
97.02866	0.3
97.06474	0.4
103.05434	0.9
105.05730	0.3
105.07001	0.4
106.06541	0.7
108.04454	0.9
108.08119	1.1
116.04948	0.8
117.07006	0.2
118.06541	1.1
119.07294	0.5
120.04461	1.1
120.08099	5.8
122.06023	4.9
124.07545	0.6
127.03913	0.2
128.06175	0.5
129.06995	0.6
130.06511	0.4
131.07301	0.3
131.08539	0.3
132.08028	0.3
133.43051	0.2
134.06018	1.5
135.06775	0.3
135.08383	0.2
136.07567	4.1
137.05966	0.2
138.09140	0.4
141.07011	0.3
143.08479	0.5
144.04442	0.9
144.08076	0.6
146.05998	14.9
146.09625	0.5
147.06694	0.4
148.07559	16.3
149.08379	1.2
149.41647	0.2
150.05487	1.5
150.09111	0.7
151.93141	0.2
153.06937	0.2
154.06506	0.5
155.07257	0.7
155.08540	0.7
156.08057	0.5
157.08794	0.4
157.10042	0.4
158.05972	0.5
158.09647	0.4
159.09300	0.2
160.03911	0.3
160.07590	2.1
161.07018	0.8
161.08261	0.3
162.05399	1.0
162.09128	0.5
164.07062	0.4
166.08649	1.2
167.07205	0.2
168.08041	0.3
169.08885	0.4
169.10185	0.2
170.06067	0.2
170.09618	4.0
172.03893	2.2
172.07565	1.1
172.09891	0.8
172.11191	1.4
173.07062	0.3
173.08347	0.4
174.09079	0.7
175.08614	1.4
178.04999	0.3
180.08017	0.5
181.08902	0.2
182.09650	0.5
183.06740	0.6
184.07494	0.8
184.11189	1.0
185.08360	0.5
185.10698	0.3
186.05516	0.3
186.09152	1.0
186.11485	0.3
186.29094	0.2
187.08656	0.6
187.12280	4.8
188.06972	0.3
188.10686	0.5
189.10255	0.2
190.04979	7.5
196.07498	0.5
196.09932	0.3
197.08305	0.5
197.10818	0.4
198.09132	23.8
199.08588	0.3
200.07700	0.4
200.09398	1.7
200.10727	1.6
201.10149	0.6
201.13841	0.7
202.08702	0.3
209.10707	0.4
210.09129	0.5
210.11447	0.5
211.08600	0.3
211.12325	0.4
212.07495	0.3
212.10759	5.2
213.08313	0.3
213.10182	1.2
214.10709	0.3
215.11777	20.1
216.10187	0.5
216.12093	0.3
221.10722	0.4
223.08693	0.4
223.12289	0.4
224.09041	0.5
225.10220	1.2
225.13794	0.9
226.08652	6.6
226.10872	0.3
227.08195	1.0
227.11757	1.2
228.08881	0.8
229.09685	0.8
229.13350	1.1
230.10419	0.4
231.11252	0.7
236.09366	0.5
237.10130	0.4
238.10992	0.7
239.11760	0.8
240.10345	2.7
241.09695	2.4
241.13326	1.8
242.10397	2.0
243.11266	100.0
244.09567	0.2
244.11646	2.1
251.11780	0.9
252.08629	4.7
252.12558	0.3
253.09576	1.2
253.13344	2.7
255.11290	4.4
256.11993	0.7
257.10333	0.4
257.12854	5.4
265.09546	0.3
267.11356	1.1
268.09570	0.3
269.09207	0.9
269.12695	0.3
271.10678	0.3
279.11337	1.0
281.12820	4.2
283.10745	1.0
284.11566	0.6
285.12308	86.6
286.12708	1.9
293.08908	0.2
295.10760	0.6
297.12314	0.3
299.13840	0.7
301.11801	4.5
302.12381	0.8
303.13358	87.2
304.13699	2.0
307.10770	1.1
313.12027	0.6
315.09576	0.5
325.11850	0.7
328.14664	0.4
337.11673	0.3
339.13406	0.3
341.15347	0.4
341.46130	0.2
342.16196	0.3
343.13077	0.3
355.12665	0.3
357.14627	0.2
358.15527	0.6
367.12900	0.2
385.13901	9.0
386.14526	0.7
400.16156	0.2
401.14920	0.2
411.11710	1.4
412.16452	0.9
418.17563	1.0
429.13782	0.2
430.17578	1.7
436.18628	4.1
448.18704	2.6
462.16467	0.6
474.16592	1.1
504.02884	0.2
517.95178	0.2
552.19757	0.3
555.25616	0.3
565.24017	0.4
581.23669	0.3
583.25696	1.1
591.22919	0.2
595.21906	0.3
601.26288	0.4
607.24744	0.4
625.26642	2.2
626.24744	0.2
669.25372	3.6
670.25409	0.3
685.24396	0.3
687.26587	0.8
713.24274	1.5
731.33521	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	731.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41661	0.2
52.95651	0.2
53.03940	0.6
55.01848	0.3
55.05492	0.3
56.96576	0.3
57.75244	0.3
61.02916	0.6
65.03938	1.8
67.05502	0.4
68.99794	0.6
69.03427	1.6
69.07055	0.6
69.50222	1.8
69.50626	0.5
70.06584	3.0
71.01408	0.3
71.04994	0.3
72.08142	0.9
73.02918	0.5
79.05492	0.4
81.03421	4.5
84.04493	0.3
84.08128	0.8
85.02899	3.0
86.09679	1.3
91.03951	0.5
91.05444	0.3
93.07017	0.5
95.04957	2.7
97.02885	3.3
97.06514	0.3
97.11944	0.3
99.04433	0.6
109.02878	1.7
110.07130	0.3
111.00759	0.4
111.04421	1.6
115.62670	0.3
117.27798	0.3
120.08112	0.6
121.02856	49.3
122.03190	0.6
127.03925	1.7
129.10239	0.7
133.02867	0.5
136.07533	0.3
137.02333	0.8
137.06009	0.4
139.03886	7.6
145.04932	0.8
145.06445	0.4
147.04410	1.5
153.01802	3.8
157.06544	0.4
165.01842	1.7
181.63737	0.3
183.02843	1.0
185.05904	0.4
187.07542	0.3
213.05492	1.5
213.18513	0.3
231.06494	0.5
231.53369	0.3
241.04875	0.7
258.05188	1.2
265.06995	5.2
283.08133	2.8
287.05472	100.0
288.05756	1.5
299.05490	0.8
329.06448	1.4
353.06403	0.7
360.36655	0.3
361.02179	0.3
424.51801	0.3
431.10049	0.3
449.10727	0.6
510.16422	0.3
561.04291	0.3
612.03845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04907	0.4
55.93510	2.6
56.96549	2.1
58.43643	0.4
61.02907	1.1
65.03923	1.5
67.05501	0.5
69.03400	0.7
70.06589	3.6
70.95853	1.1
71.59084	0.7
72.08144	0.7
72.93796	3.1
79.05470	0.6
81.03403	1.7
81.07039	0.5
83.04996	0.5
84.08109	0.4
85.02885	1.2
86.06042	1.6
86.09680	0.6
87.04457	1.0
90.94808	1.8
91.03978	0.6
91.05472	15.5
92.05807	0.8
93.07028	0.6
95.04943	1.3
95.08608	0.5
97.02870	0.7
97.53201	0.5
98.06040	1.7
102.49359	0.5
104.07111	0.9
107.04928	0.6
108.95827	1.2
109.02872	0.5
111.04465	0.5
112.07601	0.6
116.98538	0.5
119.04930	30.8
120.05235	1.1
121.02919	0.5
131.08548	0.5
132.95865	1.1
136.95280	0.5
140.96362	1.0
142.97900	1.3
144.95778	0.6
146.97379	0.6
147.04391	100.0
148.04744	4.0
149.09564	1.2
150.96942	0.9
156.99242	0.6
158.97388	6.0
161.01201	1.2
162.96912	0.8
163.03856	0.8
166.97899	1.3
168.99454	0.6
170.97327	0.8
172.98940	1.2
174.98412	0.7
176.98433	6.1
184.98950	1.5
188.06836	0.5
190.97879	1.9
193.12225	1.2
194.97357	0.8
196.98958	1.0
200.98433	2.3
202.97876	5.6
206.97345	2.6
208.98976	1.6
213.08603	0.5
216.99443	0.8
218.97379	17.2
218.99150	0.8
220.98956	6.3
222.96913	1.4
224.98442	2.2
232.98904	0.5
234.96869	1.0
235.97554	0.5
236.98442	14.6
237.00568	1.1
238.99901	0.6
239.02252	0.9
246.96819	1.0
250.15585	0.5
252.15921	1.1
252.97934	2.3
254.99379	0.9
255.01663	1.1
257.03262	0.7
259.00433	0.6
259.97708	0.8
260.00153	0.9
260.98416	5.6
264.97821	0.8
271.00562	5.1
272.98630	0.5
273.02734	0.6
277.01648	1.4
278.99405	1.9
285.16959	1.1
286.99963	17.6
288.97897	1.2
289.01413	0.8
301.01538	2.0
302.99460	0.8
303.08545	3.1
305.01001	1.9
313.01285	0.8
317.01154	0.5
319.02310	0.5
321.02066	1.9
321.09622	7.7
326.99298	0.6
328.02756	0.6
329.01053	2.9
330.99188	0.7
333.00500	1.8
338.99469	0.6
347.02103	7.8
349.00040	1.1
357.00488	4.2
362.21616	1.3
363.21698	0.5
365.02872	6.1
375.01514	9.2
383.02063	7.4
388.04861	1.0
388.23297	2.2
391.42969	0.5
393.02594	21.6
394.02667	0.7
402.16345	0.7
403.03421	1.2
404.93259	0.5
405.82019	0.4
406.03711	0.8
407.02170	0.7
411.03568	8.7
421.04190	0.6
429.04694	1.5
434.05682	1.1
493.05899	0.9
521.05188	5.2
531.98267	0.5
539.06183	5.3
550.28741	1.1
551.29388	0.8
557.08313	1.0
567.07990	1.1
608.83246	0.5
690.77356	0.5
695.09979	1.1
698.13495	0.5
713.34064	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	729.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
55.01875	0.5
55.05511	0.8
55.65043	0.4
57.03433	1.9
59.04994	0.6
60.78564	0.3
61.02921	4.0
67.05490	2.2
68.40068	0.4
69.03422	2.6
69.07065	0.6
70.42565	1.0
71.04990	1.6
73.02914	3.7
77.04980	0.3
79.05496	2.5
83.04981	1.2
83.08631	1.6
85.02900	5.0
85.06546	0.6
87.04477	0.8
91.03964	2.9
91.05479	3.9
93.07036	2.3
95.04957	2.2
95.08601	1.6
97.02896	3.6
97.06535	1.0
99.04430	1.0
99.43966	0.4
101.02374	1.1
105.07025	2.3
107.04922	0.4
107.08606	1.3
109.02898	1.1
109.06502	0.6
111.08089	0.7
119.08578	1.9
121.10143	1.4
123.16645	0.4
127.03918	1.1
129.07048	1.3
131.08571	1.5
133.10159	1.3
147.11729	1.6
149.09639	1.8
157.10147	1.2
175.11227	1.6
183.06523	0.4
193.12256	2.7
211.13354	0.7
225.14853	0.8
233.86880	0.4
236.19623	0.4
243.08397	2.2
251.12541	0.9
265.05273	0.6
267.15863	0.8
283.06363	1.1
283.15161	3.2
301.07159	0.5
303.83923	0.4
307.15167	0.7
339.17896	0.6
469.20422	9.3
501.22986	10.2
567.31384	0.6
729.36615	100.0
730.36395	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	729.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05500	1.2
57.03423	1.6
60.17506	1.0
61.02914	1.6
62.19067	1.1
63.15191	1.0
65.03930	2.8
66.73448	0.9
67.05485	4.8
68.05006	1.1
69.03418	2.3
69.07049	1.8
69.27229	10.4
69.27643	2.5
70.06602	6.0
79.05485	5.4
80.04994	1.6
81.03403	2.9
81.07046	3.3
84.08121	3.0
85.02917	2.5
86.09662	1.6
88.13159	1.1
89.03914	1.7
89.46057	1.1
91.05499	5.5
93.07037	6.7
94.06573	8.4
95.04961	3.9
95.08582	1.5
97.02888	3.0
97.06544	1.2
98.20762	1.9
103.05448	3.3
105.05753	1.0
105.07002	2.6
106.06543	2.4
107.04908	1.3
107.08583	1.5
108.04455	2.6
108.08092	9.8
109.10191	1.5
116.04964	5.2
118.06525	1.5
119.04944	1.3
119.08556	2.6
120.04482	10.4
120.08099	29.3
120.08929	2.2
121.10124	2.3
122.06029	19.2
124.07581	2.1
127.03902	2.7
131.08513	1.8
132.08087	1.3
134.05995	4.1
136.07581	20.0
138.05464	2.0
138.09093	1.5
144.04420	9.2
146.06006	15.1
148.07565	48.8
149.09705	1.1
152.07062	1.2
158.05997	1.1
158.09653	1.8
160.03911	5.8
162.05492	6.7
162.17615	1.2
164.07048	5.4
166.08685	3.0
172.03925	41.4
172.07504	2.3
174.05507	2.2
176.07076	2.2
182.09677	3.0
183.09087	2.4
184.09854	1.8
186.05479	2.6
186.09151	3.5
188.07056	1.7
190.04976	30.5
196.09885	2.9
197.10739	6.6
199.08667	2.6
199.12303	6.6
204.06554	61.5
207.09160	2.3
208.09846	2.4
209.10738	3.7
209.40958	1.1
210.09123	4.5
210.11292	2.2
211.08664	7.2
211.12335	3.3
212.09393	3.9
213.10176	2.8
221.10765	2.2
222.11340	1.3
223.08711	2.6
223.12314	4.4
224.09399	4.0
225.10223	20.0
226.10942	3.9
227.11781	35.9
228.12128	1.3
233.10735	1.4
234.07414	1.3
235.08583	2.5
235.12263	1.2
236.09274	7.2
237.10236	6.4
238.10951	3.7
239.08189	2.1
239.11804	8.1
240.09006	1.8
241.09744	5.0
241.13255	2.1
249.10278	5.5
250.11084	1.9
251.08144	1.5
251.11823	8.2
252.08604	7.9
253.09756	11.3
253.13429	2.6
255.11282	16.5
257.12860	1.2
260.62106	1.1
262.08594	1.5
262.11142	1.6
263.08185	3.6
263.11490	2.0
264.08936	11.4
265.09619	4.0
266.10458	2.5
267.11264	3.9
269.10281	1.0
269.12860	29.5
271.10754	22.1
273.12360	2.2
277.09619	3.9
278.10483	3.9
279.11273	21.8
281.09317	2.3
281.12756	4.9
283.06180	1.7
283.10690	9.7
284.11426	6.6
285.09653	1.6
285.12643	7.5
286.13132	2.5
287.10849	2.2
287.13873	26.9
291.11169	2.0
292.08267	1.3
293.09238	2.8
293.12762	2.5
294.09909	1.5
295.10883	2.9
297.12289	10.1
298.13217	1.1
299.14136	2.1
300.11447	1.8
301.11795	10.5
302.12747	2.1
305.09152	2.6
307.10736	13.4
307.30545	1.2
309.12292	1.3
311.14227	3.1
312.15295	2.3
313.12534	3.9
314.12949	6.3
315.13455	4.8
316.11020	1.3
316.14432	3.8
321.12372	2.9
323.10236	15.1
324.11371	1.3
325.11938	8.5
326.12827	1.4
326.16513	3.4
327.14072	1.6
327.17612	1.8
328.10794	6.7
328.14447	5.1
329.11636	1.1
330.15994	3.0
331.16815	3.9
338.12698	1.6
339.09512	1.3
339.13467	22.4
341.11517	4.7
341.15247	1.7
342.12305	13.9
342.15906	1.8
343.13052	7.2
343.16650	1.4
344.13867	2.0
344.17590	2.2
354.12332	2.4
354.16199	2.0
355.13345	3.9
356.13748	10.9
357.14749	4.0
358.15573	6.5
359.12292	8.6
365.11353	18.7
366.11804	1.3
366.16278	1.7
367.12973	5.4
368.13834	1.2
369.14798	2.1
370.11899	1.7
370.15472	8.7
371.16147	2.5
373.14053	1.3
378.18567	1.2
380.13779	1.8
382.11545	7.3
383.12500	8.1
384.13116	6.8
384.17502	1.3
385.13974	11.4
386.14764	4.3
386.18744	3.8
388.16660	2.1
390.18237	5.4
394.15042	2.2
397.14310	3.6
398.14984	30.5
399.15765	34.0
400.16425	2.5
401.13461	1.7
404.15796	5.8
411.11795	25.1
412.16370	4.0
414.18048	5.7
416.16028	34.9
417.16241	2.1
422.16998	5.8
428.15881	5.8
429.12952	6.8
430.17615	4.7
440.15964	12.0
443.14508	7.0
446.17087	16.5
458.17090	49.6
469.20905	1.3
472.19012	2.0
490.19574	5.2
551.22516	1.9
565.24438	11.6
575.22748	3.9
593.23828	18.7
609.26947	3.5
611.24945	32.3
612.25305	2.6
635.25226	4.9
653.26123	19.4
654.26324	1.4
655.23987	11.2
679.23724	9.6
697.24969	100.0
698.25012	3.6
729.33533	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	729.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.7
55.05514	2.9
56.96550	2.0
57.03429	2.6
61.02924	6.2
65.03917	3.5
65.96570	1.3
67.05501	8.7
69.03441	2.5
69.07046	1.4
69.33970	13.4
70.06577	4.2
70.24847	1.1
71.04986	2.3
73.02914	3.8
79.05479	8.5
80.05000	1.7
83.04957	2.4
85.02895	7.1
85.06506	1.2
86.09692	1.5
89.03928	1.6
90.84707	1.2
91.03931	2.5
91.05457	7.4
93.07014	8.1
94.06558	6.6
95.04966	5.1
95.08586	3.1
97.02881	5.6
97.06528	2.9
99.04467	1.4
101.02373	2.1
103.05440	2.1
105.07040	4.4
106.06536	1.2
107.04973	1.6
107.08578	4.2
108.04475	2.2
108.08117	9.5
109.02892	1.9
109.10157	4.6
111.08059	1.4
115.05519	1.8
116.04968	5.3
118.06530	1.9
119.08559	1.9
120.04459	8.0
120.08096	23.3
121.10130	2.9
122.06016	15.8
123.04538	1.2
123.08150	1.3
124.07592	2.1
127.03901	2.1
130.06459	1.4
131.08594	2.3
133.10129	2.6
134.06000	2.5
135.11697	1.3
136.07581	15.8
138.05510	2.1
138.13567	1.3
144.04449	9.0
145.10181	1.3
146.05983	12.0
147.08092	1.2
147.11633	1.9
148.07555	34.8
148.08690	2.4
149.09637	2.2
152.07074	1.6
157.10030	1.7
160.03928	3.6
162.05492	5.9
163.03987	1.7
163.11154	1.7
164.07092	4.3
168.08090	1.6
169.07622	1.3
172.03902	31.7
172.07481	2.3
174.05504	2.6
176.07077	1.7
181.08919	1.4
182.09717	2.5
183.09192	1.5
186.05508	3.3
190.04976	25.3
193.12198	2.1
195.09262	1.4
196.09883	2.3
197.10756	5.2
199.08714	2.9
199.12300	3.5
204.06543	47.3
206.09836	1.5
207.09131	1.8
208.09793	2.5
209.10751	3.8
210.09265	3.6
211.08635	4.8
211.12181	2.7
212.09439	2.5
221.10716	1.4
223.08801	1.7
223.12395	2.7
224.09421	2.8
225.10193	16.7
226.10962	2.6
227.11771	26.4
235.08669	1.8
236.09445	4.3
237.10268	4.9
238.10991	3.6
239.11781	4.6
241.09663	2.9
241.13297	1.6
243.08467	2.4
249.10313	5.7
250.11064	1.5
251.08186	2.3
251.11818	10.4
252.08742	5.8
253.09692	10.2
253.13452	2.2
255.11281	5.0
261.10608	1.5
263.08142	3.0
264.08899	6.6
265.09702	2.9
266.10400	1.9
267.11514	2.7
269.12781	25.6
271.10687	16.6
277.09714	4.3
278.10458	4.1
279.11215	20.4
280.11966	1.3
281.12881	4.4
283.06192	3.8
283.10681	6.2
283.15283	1.7
284.11343	6.9
285.12357	6.1
286.13385	1.8
287.13895	25.2
293.09091	2.4
295.10721	2.9
297.12396	9.5
299.14093	1.9
300.11566	2.0
300.14725	1.9
307.10593	11.3
312.14972	2.7
313.12610	2.5
314.12964	5.2
315.13535	4.7
316.14322	3.3
321.12363	3.5
323.10205	10.3
325.11694	6.0
327.17368	1.9
328.10739	5.1
328.14511	3.0
330.12503	3.0
330.16074	3.4
331.16840	1.8
337.11938	1.4
339.13571	17.5
340.13995	1.8
341.11533	4.9
341.15265	2.2
342.12375	8.9
342.15942	1.9
343.13126	5.5
344.13882	2.2
354.12277	1.8
354.16187	2.1
355.17038	1.7
356.13925	9.2
357.14706	3.0
358.15482	4.8
359.12369	7.3
365.11304	18.8
366.16037	1.8
367.13000	4.4
369.14496	1.6
370.11588	2.4
370.15558	9.8
371.15918	2.0
380.13611	1.7
382.11865	4.2
383.12329	6.4
384.13333	4.6
385.13919	7.0
386.14685	2.9
386.19003	2.9
388.16638	2.5
390.18039	3.9
394.15329	2.5
397.14203	2.2
398.14877	26.0
399.15771	30.5
400.16345	2.3
402.18112	1.7
404.16031	5.5
411.11795	23.7
412.16742	2.6
413.17987	2.4
414.18082	7.4
416.16000	26.8
422.16678	4.7
428.15909	5.2
429.12842	8.8
430.17630	5.4
440.16138	8.6
443.14331	4.5
445.29504	2.1
446.17004	15.2
448.18707	1.6
458.17059	42.1
469.20325	5.5
490.19684	5.7
500.17297	1.7
501.22910	4.7
551.22803	1.7
565.24390	10.7
575.22583	2.8
593.23938	15.8
609.26758	5.2
611.24902	32.5
635.25177	6.7
639.29865	5.9
653.26160	22.2
655.24054	9.4
657.30676	2.4
679.24023	10.0
679.83984	1.5
695.11566	1.4
697.24951	86.0
698.24829	2.3
711.32819	1.9
729.36713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57842	1.3
55.01872	1.7
55.05503	5.5
57.03434	3.0
61.02910	3.7
63.02347	1.6
65.03956	1.9
67.05508	7.1
69.03444	2.7
69.07069	3.7
70.06596	5.6
71.05013	2.7
71.59760	1.4
71.60134	1.6
72.08157	2.4
73.02915	5.0
79.05497	6.3
83.04980	2.9
83.08611	3.4
85.02909	5.1
89.03932	2.3
91.03947	3.4
91.05479	5.6
93.07060	5.0
94.06575	2.1
95.04976	3.7
95.08568	3.7
97.02885	5.7
97.06541	2.3
99.04485	1.5
103.05474	2.7
105.07027	3.0
107.08590	2.2
108.08125	3.8
109.10134	2.6
110.06008	1.8
111.08042	1.6
115.62175	1.6
116.04971	2.9
119.08604	3.3
119.78903	1.5
120.04452	3.6
120.08138	7.5
122.06035	14.0
124.07507	1.5
127.03951	3.5
133.10139	2.0
134.06081	2.2
136.07573	10.4
138.05510	1.7
144.04427	7.8
146.06018	7.1
148.07545	17.8
149.01227	1.4
157.10162	2.1
158.06029	1.7
160.04045	2.5
162.05466	1.9
164.07034	2.6
166.08580	1.8
172.03928	34.2
173.11868	2.0
184.07275	1.8
190.04991	10.7
197.10774	2.9
204.06557	65.2
209.10913	1.9
211.08662	4.1
216.38506	1.9
224.09322	1.7
225.10278	6.9
227.11760	10.7
236.09477	2.0
237.10294	3.0
239.11653	3.4
249.10599	2.2
251.11787	2.6
252.08716	3.7
253.09772	3.8
255.11404	2.2
259.07635	1.6
264.08990	3.6
267.11459	2.5
269.12784	10.5
271.10660	8.3
277.09933	2.0
279.11237	7.4
283.10889	1.8
284.11575	2.7
287.13947	16.0
288.11670	1.9
297.12439	5.7
307.10806	2.7
311.14230	2.1
314.13049	1.6
315.13568	1.7
316.14490	1.6
323.10431	5.6
325.12036	3.2
328.10922	4.2
328.14417	2.2
330.15906	2.4
339.13467	17.4
340.14639	2.7
342.12497	6.0
343.13123	3.8
356.13986	4.5
358.15320	2.5
359.12579	3.6
365.11041	4.1
367.13171	2.0
370.15530	3.6
384.13239	3.2
385.14172	4.8
390.18079	2.3
398.14951	12.6
399.15765	16.2
404.15878	3.3
411.12088	4.7
412.16855	2.6
414.18533	2.1
416.15994	12.2
422.17114	1.8
430.18118	2.1
440.16205	3.8
443.14331	8.6
446.17142	5.7
458.17072	16.7
469.20209	4.0
490.19873	4.3
501.22980	1.9
565.24213	3.0
567.27673	7.9
575.23370	1.9
593.24017	7.8
611.25250	9.7
625.26770	1.8
635.24066	1.8
653.26062	12.9
655.23944	4.9
679.23822	5.0
697.24963	49.9
698.25104	2.1
728.35266	4.1
729.34277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01882	2.0
55.05507	4.0
56.96568	1.4
57.03440	2.2
61.02921	3.2
65.03947	2.8
67.05493	7.5
69.03426	4.3
69.45793	3.0
69.46197	9.5
70.06590	8.6
71.04987	2.9
72.08128	1.4
73.02927	1.9
79.05476	10.9
80.05035	1.4
81.03410	6.7
81.07047	7.7
83.08625	3.2
84.08143	3.6
85.02897	5.5
85.06583	1.6
86.09694	3.7
91.03944	2.2
91.05468	8.5
92.05016	2.4
93.05775	1.7
93.07027	8.8
94.06570	8.1
95.04956	5.0
95.08584	3.8
96.19715	1.5
97.02903	5.3
99.04434	2.1
101.02362	1.9
103.05470	5.2
105.05780	1.4
105.07012	5.2
106.06549	2.6
107.04961	3.3
107.08619	3.9
108.01972	1.3
108.04467	3.1
108.08089	10.6
108.41458	1.4
109.02859	3.0
109.06542	1.4
109.10164	2.2
116.04980	5.1
118.06500	3.2
119.08570	2.7
120.04469	11.0
120.08086	29.8
121.10113	3.0
122.06013	20.5
122.09664	1.7
124.07587	4.2
125.06005	1.7
127.03907	2.9
129.06927	2.4
131.08566	1.8
133.10144	2.4
134.05983	6.6
136.07561	19.9
137.05942	2.2
137.09631	1.5
138.05458	3.4
138.09100	2.6
144.04422	12.5
145.10107	1.8
146.06009	14.0
147.04369	1.7
147.11674	2.4
148.07561	49.9
149.09642	2.6
150.05527	1.8
150.09113	1.4
152.07161	1.7
158.05989	1.7
160.03918	5.0
162.05505	5.7
163.03804	1.2
164.07063	5.6
166.08633	3.7
166.71687	1.2
167.07300	2.0
172.03920	38.8
172.07652	2.0
174.05528	2.4
175.11198	1.9
176.07008	1.8
181.08778	2.0
182.09714	3.0
183.09142	2.0
184.09921	2.7
186.05487	3.2
186.09109	2.7
188.07080	1.6
190.04991	30.0
190.06709	1.7
192.06654	1.3
193.12228	2.2
196.07536	1.5
196.09958	2.2
197.10736	7.9
198.09181	1.9
198.11504	1.3
199.08684	1.9
199.12303	5.3
204.06543	63.8
207.09120	1.7
208.09784	2.7
209.10793	5.5
210.09277	4.0
210.11459	2.3
211.08601	7.8
211.12308	3.6
212.09424	4.0
213.10201	1.6
223.08594	1.9
223.12343	4.1
224.09308	3.0
225.10217	22.7
226.10954	3.3
227.11761	35.4
234.07547	1.4
235.08658	4.1
236.09409	6.6
237.10211	7.3
238.11026	5.2
239.11815	8.4
240.08838	1.4
241.09706	4.1
241.13358	2.4
249.10199	8.1
250.11038	4.2
251.08044	2.0
251.11769	10.0
252.08635	8.8
253.09721	13.8
253.13339	3.3
255.11308	13.6
261.10297	1.9
263.08167	3.0
263.11719	3.2
264.08881	10.0
265.05106	1.7
265.09772	5.0
266.10571	2.5
267.11411	6.4
269.12808	35.4
269.15503	2.2
271.10751	22.2
273.12311	3.5
277.09802	5.0
278.10556	5.0
279.11249	21.7
280.12149	1.4
281.09683	1.7
281.12811	5.1
283.06213	3.4
283.10693	8.5
284.11591	6.1
285.09698	3.1
285.12640	7.5
286.13336	2.0
287.13885	28.9
289.09824	1.6
291.11154	2.6
293.09122	3.0
293.12491	1.5
294.10034	2.3
295.10736	2.9
297.12335	11.1
298.13724	1.7
299.11365	1.8
300.11786	1.7
301.11792	8.1
307.10703	14.2
309.12317	2.3
311.14233	2.0
312.14886	2.5
313.12558	4.3
314.13010	5.2
315.13519	6.2
316.10922	2.3
316.14508	2.5
317.15240	2.1
321.12302	3.2
323.10272	17.6
325.11859	13.0
326.16522	3.3
327.14233	2.2
328.10696	9.0
328.14471	4.5
329.11725	1.6
330.12381	2.4
330.16083	1.9
331.16696	3.7
337.11716	1.6
338.12985	1.6
339.13388	21.0
340.14490	2.5
341.11606	4.7
341.15314	2.1
342.12311	15.1
342.15881	2.3
343.13226	8.4
344.13950	2.1
352.14572	2.9
354.12198	2.8
354.16031	3.4
355.12857	6.4
356.13907	10.3
357.14621	5.3
358.15433	5.3
359.12302	9.2
365.11322	19.7
367.13104	7.3
369.14618	2.9
370.11475	1.8
370.15494	9.7
372.17120	2.5
378.18124	2.6
382.11719	7.7
383.12512	7.8
384.13199	7.0
385.13861	9.9
386.14844	4.7
386.18823	3.7
388.16547	2.4
390.18088	6.5
394.15317	3.1
397.13849	7.3
398.14938	35.2
399.15738	31.8
400.16306	3.5
404.15823	6.9
411.06699	1.3
411.11798	31.3
412.16537	5.0
414.18158	7.0
416.16016	32.8
417.16833	2.0
422.17126	4.8
428.15829	6.5
429.12704	6.9
430.17645	5.8
440.16162	12.4
443.14365	10.1
445.29239	2.5
446.17056	17.0
458.17081	44.4
469.20331	2.8
478.20084	1.8
490.19800	9.0
500.17740	2.3
501.22876	2.3
551.22681	2.3
565.24408	13.1
575.22784	2.7
583.25720	2.0
593.23889	24.4
606.20703	3.3
608.22339	3.3
609.26892	4.8
611.24902	34.3
625.26587	1.8
635.24719	5.4
653.26001	27.3
655.23846	11.6
679.24219	10.7
697.24976	100.0
698.25214	3.2
711.30896	2.0
729.35590	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	729.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01854	1.4
55.05496	1.0
56.05011	0.6
57.03437	1.0
61.02912	1.4
63.62154	0.6
65.03931	10.2
65.25978	0.6
66.46386	0.7
67.05495	2.3
67.13434	0.6
69.03413	2.5
70.06590	8.1
71.04980	0.6
71.59647	0.7
72.08145	2.2
72.35147	0.6
74.89668	0.5
78.04695	1.7
79.05480	3.6
81.03416	3.0
81.07051	1.0
82.04171	1.7
84.04491	1.4
84.08138	2.3
85.02447	0.9
85.02893	5.7
86.09699	3.7
89.03896	1.2
91.03954	0.6
91.05476	6.5
93.03391	1.8
95.01312	1.5
95.04970	4.4
95.08598	0.8
97.02882	3.3
97.06527	2.2
99.04465	1.1
103.05464	2.9
105.03391	0.7
105.07032	5.4
106.04182	1.4
107.04952	7.6
109.02869	1.7
109.06523	0.7
110.03651	10.1
110.07121	1.5
111.04438	17.1
115.05457	2.6
117.07011	1.2
118.04164	0.8
119.04931	5.8
119.08544	1.8
120.08085	1.4
121.06465	0.9
122.03653	1.4
123.04402	3.5
124.05182	1.7
125.05986	14.5
127.03929	1.6
128.06213	1.6
129.06990	3.8
129.10231	1.5
131.04910	3.9
131.08522	1.0
132.05673	1.3
133.02824	2.4
133.06487	3.7
134.03584	1.4
136.05159	1.2
136.07545	1.0
137.05960	9.7
138.03120	1.7
143.04909	0.9
144.05713	1.8
145.06480	1.5
145.10091	0.8
146.07249	0.7
147.04387	8.2
147.08000	2.0
148.05057	0.8
149.05991	1.3
151.03940	1.5
151.07533	1.9
152.04636	1.2
153.05455	69.3
155.04898	0.9
156.05644	0.9
158.07245	0.7
159.08035	5.9
160.05176	1.4
161.05975	6.4
162.06671	0.8
163.03876	1.9
163.07524	2.2
163.86276	0.6
165.05556	1.4
165.07010	1.6
167.07030	37.3
171.04381	1.5
171.08002	1.1
172.05170	1.4
173.05946	1.3
175.07526	10.4
176.04655	0.8
177.05486	2.6
178.07765	1.6
179.07101	3.7
179.08458	1.0
184.05159	0.8
185.05986	1.7
186.06755	2.6
187.07529	10.0
189.05441	4.4
189.06998	2.6
190.07762	2.7
191.07158	4.2
191.08403	4.4
192.04173	0.8
193.06444	1.3
194.07193	0.9
198.06747	1.1
199.07581	4.9
201.05405	1.7
202.07785	2.7
203.08621	3.4
204.09259	0.8
205.06433	2.9
205.10228	1.2
206.07239	2.9
207.06467	1.4
207.08104	2.5
208.08856	1.6
215.07004	2.1
215.08765	1.4
216.07776	7.1
217.06523	1.7
217.08455	0.9
218.07251	5.7
219.08058	9.5
220.08702	4.0
221.05980	2.3
221.09546	3.1
223.07466	1.5
229.08557	7.5
231.08105	3.9
232.08798	1.9
233.05978	2.6
233.09555	3.8
234.06688	3.4
235.07460	5.2
236.08289	4.8
237.09027	2.0
239.06918	0.8
243.08176	0.8
245.06035	2.1
245.09169	0.7
246.06737	3.1
247.07472	5.0
248.08267	6.4
249.05406	2.0
249.09099	7.3
250.06119	0.8
250.09856	1.4
251.07040	2.0
251.10640	11.5
252.11232	0.9
253.08543	1.6
259.07498	2.6
260.08301	2.0
261.05499	1.9
261.09106	5.1
262.06311	1.5
262.09836	1.9
263.07065	4.3
263.10715	2.3
264.07764	9.8
265.08597	9.2
265.11728	1.1
265.12177	0.9
266.09302	1.2
267.06580	0.9
268.10623	1.0
273.05566	1.0
273.09030	0.8
274.06342	0.9
275.06943	3.3
276.07761	9.3
277.05463	1.1
277.08527	6.4
278.06503	0.9
278.09299	4.7
279.06848	1.3
279.10135	8.2
280.07501	1.0
280.10873	1.3
281.08121	1.5
281.11670	3.9
288.07822	1.7
289.08603	4.2
290.09354	1.9
291.07031	0.7
291.10165	4.1
292.07285	1.5
292.10806	1.0
293.08066	5.8
293.11450	1.5
294.08829	1.7
295.09641	1.0
296.10385	1.6
303.04791	1.3
304.07257	2.2
305.08002	2.2
305.11420	0.9
306.08789	2.5
307.09601	35.5
308.10342	9.3
309.11102	6.0
310.11948	0.9
311.09195	1.0
311.12796	2.8
319.09698	8.8
320.10349	2.0
321.07806	1.2
321.11084	4.9
322.11929	0.8
323.12747	6.9
324.09918	1.6
325.14523	1.2
326.11505	1.2
331.09930	0.8
336.09833	1.3
336.13513	1.2
337.10681	1.8
339.12253	100.0
340.12762	2.9
341.13843	11.0
351.12247	37.1
352.12860	1.7
353.13721	5.2
367.10587	0.7
369.13208	3.0
499.17548	1.4
551.21381	0.8
729.19568	1.1
732.80597	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	729.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01858	1.5
55.05491	0.7
57.03428	1.2
61.02922	1.3
65.03934	10.6
67.05502	2.0
68.32418	0.6
69.03397	2.1
69.07078	0.8
70.06586	7.8
70.89668	1.1
71.06915	0.6
71.44337	0.6
72.08142	2.1
75.04475	0.7
78.04709	1.9
79.05471	5.1
81.03399	2.9
81.07031	1.4
82.04184	2.3
84.04482	0.7
84.08137	3.3
85.02896	5.8
86.09705	3.0
91.03948	0.5
91.05474	5.8
93.03393	1.7
93.07075	0.7
94.04182	0.8
95.01318	2.5
95.04964	4.3
95.08607	0.7
97.02898	2.8
97.06506	1.3
98.06028	0.6
99.04393	1.0
102.05598	0.6
103.05427	3.0
105.03440	0.9
105.07014	5.9
106.04187	0.9
107.04942	6.8
108.02052	0.8
109.02872	1.5
109.06541	0.8
109.10130	0.8
110.03658	10.7
110.07145	0.7
111.04433	17.3
115.05450	3.7
117.03392	1.0
117.06985	0.7
118.04152	2.3
119.04940	5.3
119.08554	1.8
120.08089	1.5
121.02834	0.9
121.06470	1.6
123.04448	3.8
124.05193	1.7
125.05988	15.9
127.03897	1.8
128.06206	2.7
129.06952	4.9
129.10240	1.2
130.04124	1.0
131.04938	4.4
132.05661	1.2
133.02847	2.1
133.06468	5.7
135.04367	0.8
136.05177	1.2
137.05954	8.4
138.03152	1.6
140.90390	0.7
141.07106	0.8
143.04878	1.0
144.05661	1.3
145.04919	1.2
145.06461	1.8
147.04387	8.1
147.07996	1.3
149.05962	2.3
151.03885	1.7
151.07509	2.0
152.04688	1.6
153.05452	69.0
156.05666	1.1
159.08026	5.2
160.05196	1.0
161.05981	7.2
161.09590	1.0
162.06830	0.7
163.03903	1.8
163.07524	1.9
165.05515	2.3
165.06868	0.9
167.07025	43.7
169.06490	0.9
171.04364	1.5
171.08026	1.2
172.05177	2.0
173.05914	0.8
175.07526	10.6
176.04616	0.7
177.05469	1.5
177.06848	0.9
178.07805	1.7
179.07010	4.5
179.08441	0.9
181.08923	0.6
184.05151	1.2
185.05986	2.8
186.06737	2.5
187.07521	10.0
189.05431	4.4
189.06995	2.7
189.09000	0.8
190.07671	2.8
191.07027	4.6
191.08325	3.8
193.06595	0.6
193.10071	0.6
194.07164	0.6
198.06668	1.4
199.07532	5.6
201.05397	0.7
201.09087	0.6
202.07704	3.6
203.06960	0.8
203.08566	4.2
205.06535	3.4
206.07224	3.1
207.06433	1.4
207.08124	2.2
208.08911	1.7
209.09729	0.8
214.06113	0.9
215.06973	1.9
215.08768	1.2
216.07791	6.7
217.06508	1.5
218.07222	5.1
219.08041	10.3
220.08846	4.6
221.05972	2.4
221.09647	3.2
222.06792	1.2
223.07545	1.8
225.09071	0.8
229.06505	1.0
229.08572	7.6
231.08017	4.5
232.08733	1.2
233.05988	2.5
233.09634	3.1
234.06683	4.2
235.07510	6.3
236.08263	5.2
237.09158	2.1
239.07082	1.0
240.36740	0.6
243.07971	0.7
245.05981	1.2
245.09674	0.9
246.06715	3.1
247.07506	6.6
248.08362	5.2
249.05577	1.2
249.09094	7.6
250.06287	1.4
250.09836	2.3
251.06966	1.6
251.10652	10.4
253.08597	1.2
258.06665	1.3
259.07501	2.6
260.08279	2.0
261.05466	2.5
261.09106	4.0
262.06305	1.2
262.09863	1.5
263.07004	4.1
263.10544	3.1
264.07791	11.1
265.08588	10.6
265.11649	0.9
267.06271	0.8
273.09128	1.1
274.06207	1.5
275.06998	4.6
276.07770	8.5
277.08524	7.7
278.06192	1.0
278.09225	5.0
279.06787	1.0
279.10114	6.8
280.10788	1.6
281.08069	1.9
281.11710	4.6
288.07858	1.3
289.05411	1.2
289.08392	5.4
290.09329	2.4
291.06787	1.2
291.10126	4.7
292.07285	2.4
292.10657	1.0
293.08020	5.2
293.11179	1.0
294.08667	1.3
295.09662	1.3
296.10455	1.4
303.10101	0.9
304.07306	2.6
305.08063	2.4
305.11441	0.8
306.08890	2.5
307.09610	33.9
308.10275	7.0
309.11145	5.8
310.12000	1.0
311.09293	0.8
311.12720	2.0
319.09653	10.2
320.10257	2.3
321.07828	1.1
321.11191	5.3
322.11990	0.7
323.12790	6.8
324.09866	1.4
324.13617	0.7
325.14200	1.0
336.09772	1.4
336.13409	0.7
337.10626	1.9
337.14508	0.9
338.11398	0.8
339.12241	100.0
340.12701	1.7
341.13776	11.1
351.12231	34.6
352.12930	1.7
353.13922	5.9
369.13336	1.7
499.17227	1.6
729.19482	1.1
729.39594	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	727.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.5
63.40546	3.3
67.05489	15.6
69.03424	5.0
69.07049	4.6
70.06602	6.2
71.60392	4.1
73.75317	3.4
76.59327	3.6
79.05495	9.3
81.03410	8.0
81.07056	7.5
83.08615	3.9
85.02908	6.3
86.09689	6.5
91.03915	5.4
91.05456	9.5
93.07035	13.7
94.06555	15.5
95.04958	7.3
95.08564	4.6
97.02860	4.6
97.06532	4.3
103.05442	7.2
105.07030	7.6
107.08560	4.7
108.08115	18.1
109.10146	10.7
118.06544	5.3
119.08582	3.7
120.08096	45.4
122.06004	55.0
134.06020	3.7
136.07584	38.2
138.05495	4.0
143.34123	3.7
148.07567	60.6
162.29495	3.8
165.09125	4.3
166.70831	3.3
173.11868	4.1
184.07329	9.0
193.12202	4.1
208.07628	4.0
211.08572	4.4
221.10605	6.1
235.44711	3.1
236.09280	3.7
247.08824	9.3
249.10240	42.9
251.11862	5.2
260.26178	3.5
263.71375	4.2
275.08209	4.5
277.09702	20.4
285.10037	5.9
285.17035	3.9
291.11075	3.7
294.10281	3.9
308.11899	3.7
309.12369	11.7
314.12918	4.3
325.12866	4.7
326.12961	7.8
337.15997	4.9
338.16785	7.2
340.10715	6.5
340.14453	9.4
341.15393	5.7
342.12448	6.4
354.12317	19.9
354.16006	7.9
355.13092	12.2
356.13803	11.6
364.14413	13.9
365.15057	4.2
366.12039	6.1
366.15955	9.9
367.13531	6.2
368.09796	5.5
368.13919	40.6
369.14725	18.6
370.15466	10.6
382.11261	18.0
382.15573	15.9
383.16537	6.8
384.17020	25.6
392.13953	13.0
394.15479	7.1
395.12830	5.0
396.13208	20.9
397.14218	8.4
398.18668	26.7
410.14905	15.2
412.16577	19.0
414.14621	6.2
415.15408	6.6
420.13333	7.1
426.14197	7.7
428.16068	19.8
438.14474	62.8
442.17819	9.4
444.19659	18.6
452.15924	8.7
456.15585	92.3
458.16965	16.2
470.17126	14.9
476.18140	28.4
488.18073	35.2
490.19846	6.7
563.22498	12.0
573.21484	5.7
577.24408	5.0
591.22406	58.5
595.25183	24.0
605.24341	5.4
623.24835	74.7
633.23315	6.1
641.25861	12.4
651.24335	10.3
665.25854	14.0
677.21289	5.3
683.27081	100.0
695.23566	20.8
709.24933	13.5
721.91901	4.1
727.25391	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01858	0.6
55.03490	0.3
55.05505	1.5
57.03436	2.0
59.04981	0.9
61.02919	3.9
67.05492	3.9
69.03421	2.9
69.07049	1.2
70.06580	0.9
70.66156	1.1
71.01362	0.4
71.04994	1.8
72.08135	0.4
73.02902	2.9
79.05479	3.8
81.03406	5.1
81.05721	0.3
81.07049	4.2
83.01353	0.3
83.04973	1.5
83.08609	1.6
84.08152	0.4
85.02898	4.0
85.06535	0.5
87.04453	0.7
91.03953	2.0
91.05471	3.0
92.05796	0.4
93.07037	4.0
95.04963	2.0
95.08595	3.5
97.02882	3.6
97.06515	1.3
97.07078	0.3
97.10165	0.6
99.04471	0.9
101.02380	1.7
103.03945	0.4
105.07020	3.0
107.04961	1.3
107.08577	2.8
109.02898	0.9
109.06562	0.9
109.10149	1.9
111.04446	0.3
111.08107	0.5
113.06010	0.3
116.28281	0.3
117.07027	0.5
119.08574	1.8
121.06470	0.7
121.10132	2.8
123.08101	0.5
123.11693	0.3
125.05975	0.4
125.09653	0.3
127.03905	1.8
129.06978	1.0
129.10426	0.3
131.08556	1.6
133.06514	0.4
133.10135	1.5
135.08075	0.7
135.11664	2.7
135.12367	0.2
137.09610	0.7
139.11166	0.3
142.07713	0.3
145.10088	1.6
147.08057	0.3
147.11667	1.7
149.09630	1.5
151.07516	0.5
153.05466	0.5
157.10143	1.4
163.11171	4.0
165.09105	2.1
175.11191	1.0
177.09119	0.3
181.12279	0.9
193.12230	1.7
203.05284	0.4
211.13330	0.9
219.09917	0.4
225.14922	0.4
227.12790	2.8
234.24828	0.3
235.13266	0.3
243.08392	3.2
249.10963	6.3
267.09198	0.5
267.16003	1.0
268.16138	0.3
268.81784	0.3
275.77362	0.3
281.13467	0.4
283.06262	1.3
283.15228	2.3
285.10126	1.0
289.14014	0.3
299.05762	0.3
299.09323	0.3
305.13507	1.7
317.15106	0.4
339.17838	0.7
411.12341	0.3
462.28790	0.5
467.18839	10.8
469.20590	1.2
479.29883	1.0
501.23022	12.8
501.30365	0.6
502.23114	0.4
565.29755	0.6
635.44556	0.4
682.34924	0.3
727.35004	100.0
728.35223	4.7
747.03857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01856	2.9
55.05505	10.0
56.96561	1.3
57.03435	7.9
58.72830	1.2
59.04994	2.5
61.02917	4.3
65.03934	1.7
67.05499	39.0
69.03421	5.0
69.07064	5.5
69.37764	9.3
69.49969	1.1
70.06582	3.9
71.04987	14.4
72.93783	1.3
73.02919	1.6
79.05488	16.9
81.03414	28.4
81.07040	18.9
83.04979	5.0
83.08611	10.0
84.08160	1.1
85.02887	6.3
85.06533	2.2
86.09681	2.6
87.04440	1.2
91.03928	2.6
91.05471	18.3
93.07043	16.4
94.07346	1.2
95.04951	14.6
95.08601	8.7
96.08230	0.9
97.02873	4.6
97.06485	5.1
97.10118	5.6
98.20761	1.7
99.04430	1.6
99.08054	1.3
105.07009	12.5
107.04956	7.9
107.08579	9.5
109.02864	1.5
109.06524	7.6
109.10139	27.9
110.10492	1.2
111.04450	1.3
111.08070	5.8
115.05379	1.1
117.06985	6.2
119.08582	12.6
121.06490	7.6
121.10133	5.9
122.10436	1.3
123.08066	3.7
125.09646	4.1
127.03904	1.0
129.06993	5.9
131.04860	1.1
131.08568	6.7
133.06511	2.9
133.10104	6.0
135.08046	5.1
135.11646	6.6
137.05928	1.1
137.09610	6.2
141.07019	1.6
142.07741	1.3
143.08563	2.1
145.06506	2.4
145.10124	4.6
147.08017	1.6
147.11653	5.4
149.09598	4.0
151.11134	1.2
157.06462	1.1
157.10129	4.6
159.08037	1.3
159.11676	2.5
161.05937	1.0
161.09518	2.0
163.11188	4.1
165.09140	2.9
166.09395	1.3
167.10754	1.5
169.10126	1.7
171.11736	1.4
173.11737	5.0
173.13190	1.8
175.11203	4.5
181.12212	1.2
183.11716	1.7
184.07326	1.6
187.11171	1.1
189.11163	1.6
191.10539	1.0
191.14378	1.5
193.12231	5.8
203.10739	1.3
203.14352	1.4
205.12143	1.5
210.97031	1.2
211.13208	2.6
219.13733	4.8
223.13316	1.8
227.12680	1.9
229.12331	1.0
229.14392	3.9
238.31029	1.1
243.15878	1.7
253.14246	4.7
255.15814	1.9
259.17114	1.1
267.15924	9.8
283.06146	1.7
285.09894	2.4
285.17017	1.2
287.18500	4.4
301.21674	1.8
311.19955	1.6
329.21152	5.1
330.07718	1.8
337.21463	1.8
338.08313	1.2
355.22653	2.0
403.24844	3.0
411.25397	1.9
421.25803	16.9
422.26514	1.9
425.25357	2.0
429.26202	8.7
447.27380	100.0
448.27670	3.4
461.28909	3.2
479.29822	4.5
545.47296	1.1
546.30823	1.2
564.31604	3.6
617.40887	1.0
726.33313	4.9
727.35132	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	724.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
56.05025	0.7
57.07064	0.2
58.06598	0.4
60.08160	5.6
67.05489	0.9
69.03423	0.3
69.07061	0.3
71.07362	2.7
71.60878	0.4
79.05485	0.9
81.03401	0.5
81.07023	0.8
82.07388	0.3
86.09700	28.3
91.05464	0.8
93.07028	1.0
95.04987	0.3
95.08584	0.5
97.06516	0.3
97.10144	0.3
98.98459	2.8
104.10732	2.2
105.07011	0.3
107.08575	0.5
109.10122	0.6
124.99994	17.7
126.65520	0.2
130.66243	0.2
133.10059	0.3
136.91875	0.2
143.00993	0.4
184.07326	100.0
185.07690	1.3
186.07973	0.4
482.90231	0.3
527.25281	0.3
621.13104	0.3
688.45233	4.6
724.43390	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	725.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45869	0.2
53.03932	0.5
55.01855	0.3
55.05510	1.7
57.03411	0.6
57.07058	0.3
65.03918	0.5
67.05502	5.9
68.99785	0.6
69.03427	1.4
69.07055	1.6
69.56267	1.3
71.04974	0.5
77.03951	0.2
79.05063	0.3
79.05491	5.1
80.05823	0.2
81.03408	1.5
81.07053	4.9
83.04972	0.6
83.08597	0.7
85.02901	1.5
85.06523	0.3
89.04198	0.2
89.30894	0.2
91.05473	3.8
93.03393	0.4
93.07034	5.5
95.04963	1.3
95.08598	3.7
96.08951	0.2
97.02879	1.1
97.06512	0.4
97.10133	0.5
103.05447	0.2
105.07024	2.6
105.10934	0.2
107.04926	0.3
107.08586	3.0
109.02872	0.8
109.10147	1.7
111.00787	0.9
111.04436	0.3
115.05476	0.2
117.07005	1.4
119.08580	2.2
121.02837	1.0
121.06534	0.2
121.10126	2.3
123.04415	0.4
123.08063	0.3
123.11679	0.6
125.09663	0.2
127.03879	0.8
128.06117	0.2
129.06967	0.4
131.08568	2.1
133.06522	0.2
133.10139	1.2
135.11653	2.0
137.02325	3.5
137.03348	0.1
137.09557	0.2
143.08508	0.3
145.04866	0.2
145.10107	1.5
147.11696	1.0
149.02348	0.4
149.13257	0.8
151.14842	0.2
153.00581	0.2
153.01810	3.5
155.04817	0.2
157.10066	0.3
159.11653	1.0
161.13217	0.8
163.03912	0.8
163.11240	0.2
163.14807	0.3
165.01825	2.2
166.02560	0.3
169.10210	0.2
170.77490	0.2
171.11719	0.3
171.83792	0.2
173.05974	0.4
173.13252	0.8
183.02869	0.8
183.04381	0.4
183.11700	0.2
184.07321	0.5
185.13228	0.4
187.03935	0.3
187.14842	0.5
189.12682	0.2
191.03523	0.2
195.02956	0.2
201.05469	1.7
205.04945	0.2
205.12245	0.2
219.06517	0.4
229.04924	4.8
243.21115	0.6
247.06009	0.8
253.14375	0.2
257.04431	2.7
259.20703	0.2
261.22110	2.1
274.04733	0.8
285.03903	1.3
289.21561	0.2
303.04962	100.0
304.05283	1.7
307.31613	0.2
315.04865	0.2
345.06201	0.3
369.24435	0.2
387.25345	0.2
391.34308	0.1
411.06970	0.2
447.09201	0.2
532.62897	0.2
615.31635	0.2
630.63379	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	724.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01862	2.1
55.05507	11.3
56.20764	0.9
57.03434	11.6
61.02911	0.9
65.03948	1.4
65.71254	0.7
67.05500	17.8
69.03419	4.6
69.07067	4.6
70.11753	2.9
70.12172	1.3
71.04984	3.4
79.05483	18.5
81.03410	80.4
81.07046	17.2
83.04966	8.2
83.08611	21.6
85.02899	12.3
85.06530	1.5
91.05471	19.8
93.07035	14.0
95.04955	27.7
95.08604	7.8
97.02882	3.1
97.06509	2.4
97.10168	5.9
105.07019	15.3
107.04955	7.1
107.08601	6.5
109.06512	3.3
109.10152	2.2
111.04419	3.0
111.08070	9.5
113.06002	0.9
115.05434	1.4
117.06992	2.5
119.04932	1.0
119.08572	14.3
120.89599	0.8
121.06509	4.5
121.10136	7.0
123.08077	1.4
123.11628	1.1
125.09651	3.2
128.06166	0.8
129.07001	11.0
131.08553	12.2
133.06488	4.1
133.10135	7.8
135.08044	1.3
135.11670	1.0
137.06004	0.9
137.09639	1.4
142.07800	2.5
143.08548	1.6
145.06497	5.1
145.10124	2.3
147.08041	3.8
147.11673	11.3
149.09596	5.7
157.06461	1.8
157.10126	12.4
159.07999	1.2
163.11128	1.8
165.12816	2.2
169.10181	1.0
171.08041	2.3
171.11595	1.2
175.11165	12.2
183.08061	0.8
189.11191	1.9
193.12222	32.4
195.11731	1.5
205.12189	1.0
211.13268	15.8
222.87299	0.9
227.12686	1.2
229.14429	1.7
237.12572	1.3
249.14896	1.7
255.13759	1.9
257.15448	1.0
267.15891	100.0
268.16339	2.0
273.14862	4.9
285.16934	14.2
313.49692	0.8
339.23169	1.4
341.20993	1.7
349.21536	2.9
357.24106	1.2
367.22617	10.0
385.23828	11.5
403.24814	3.9
405.23990	0.9
415.24405	1.0
433.25821	13.5
441.26297	6.4
459.27386	73.3
460.27518	2.6
477.28464	45.3
478.28680	1.7
501.28030	1.4
513.50696	0.9
517.48352	0.9
519.29517	1.0
585.29926	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	723.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01855	3.3
55.05508	11.1
56.96546	1.4
57.03422	1.9
57.07063	2.6
61.02916	3.4
65.03917	1.3
67.05499	15.8
69.03412	5.2
69.06767	1.1
69.07067	12.3
71.04962	2.9
71.49492	1.8
73.02914	2.6
79.05484	10.3
81.03423	8.0
81.07052	21.9
83.04957	3.3
83.08618	13.8
85.02895	10.8
85.06541	1.6
87.00804	2.8
91.03906	1.8
91.05479	12.9
93.07037	27.5
94.31860	1.5
95.04947	4.8
95.08601	33.7
97.02874	6.3
97.06515	4.2
97.10156	4.2
97.10793	1.2
99.04443	2.6
99.08080	2.0
103.49849	1.1
105.01884	2.5
105.07024	23.0
107.04907	1.5
107.08587	31.8
109.02864	4.4
109.06487	5.5
109.09451	1.8
109.10154	27.0
111.08068	6.3
113.59746	1.2
117.06963	3.1
119.08573	33.5
121.06542	1.9
121.09306	2.2
121.10136	32.4
123.08060	3.7
123.11702	9.0
125.09638	2.9
127.03883	7.2
129.06993	1.9
129.26335	1.3
131.08571	9.2
133.10120	24.4
135.08070	1.3
135.11685	23.7
137.09563	2.8
137.13188	2.2
139.11169	3.1
139.97549	1.1
142.07780	1.5
143.08569	6.9
145.04926	2.0
145.10115	16.5
147.08038	1.3
147.11673	26.1
149.09634	1.9
149.13226	8.8
151.11145	4.3
155.08487	1.7
157.10152	10.0
158.10976	1.2
159.02863	2.2
159.11690	20.4
161.09630	2.5
161.13258	12.5
163.11159	1.9
163.14792	4.2
165.09131	2.8
165.12756	18.4
167.14311	2.7
169.10098	2.0
171.11682	7.1
173.13252	12.4
175.11240	2.5
175.14786	9.8
177.12761	1.3
177.16402	8.4
183.11716	3.0
185.13222	7.4
187.14803	13.8
189.12721	2.0
189.16380	4.7
191.17931	6.4
193.12276	1.8
193.15852	4.2
195.11617	1.6
199.14783	4.4
201.16376	23.4
203.14311	1.7
203.17947	32.3
211.15007	1.6
211.16930	3.7
213.16360	12.3
215.17921	5.0
217.19472	1.8
221.15361	3.1
227.17947	11.7
229.19479	2.6
231.17406	15.9
233.18994	2.0
241.19495	3.1
245.19054	8.6
249.18468	11.0
253.19325	1.5
255.21078	3.6
263.20078	3.8
267.19495	16.3
275.20062	1.7
283.24258	8.6
287.05533	7.4
295.22592	2.2
403.33334	3.0
421.34619	9.1
439.35699	100.0
440.35794	3.8
457.36743	18.7
543.36804	2.7
561.37628	2.3
723.38928	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	723.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50020	0.4
53.03946	1.1
55.01867	1.1
55.05502	2.2
57.03430	2.4
58.61596	0.4
59.04993	0.5
60.64653	0.4
61.02922	4.6
65.03929	0.6
67.05502	11.8
69.03428	3.4
69.07063	3.1
71.01350	0.6
71.04984	1.3
71.60500	0.5
73.02920	3.5
73.07872	0.4
79.05490	6.2
81.03412	3.7
81.07050	6.4
82.15594	0.5
83.04987	1.0
83.08624	1.9
83.99068	0.4
85.02895	4.8
87.04454	0.9
91.03951	2.6
91.05477	5.2
93.07043	6.4
95.04981	1.9
95.08611	3.7
95.11030	0.5
97.02887	4.9
97.06537	0.8
97.10198	0.5
99.04478	0.8
100.29941	0.4
100.90728	0.4
101.02383	1.7
105.07021	4.6
107.04977	0.9
107.08589	3.4
109.02892	1.0
109.06556	1.2
109.10148	7.7
110.10433	0.4
111.04478	0.5
115.03962	0.4
117.07037	2.3
119.08583	3.8
121.06535	0.7
121.10168	1.8
125.09633	0.7
127.03939	1.8
129.05531	0.5
129.07008	0.8
131.08530	2.5
133.06554	0.4
133.10109	2.4
135.04453	0.4
135.08054	0.5
135.11697	1.7
137.02339	0.6
137.09569	0.4
143.08612	1.1
145.10126	1.7
147.11673	1.2
149.09663	1.0
149.13304	0.7
153.01849	1.3
155.10686	0.5
157.10194	1.1
159.11745	1.4
161.13289	0.7
163.04015	0.5
165.01869	0.8
171.11768	0.6
173.11765	2.1
173.13188	0.8
175.11255	0.5
183.11665	0.4
185.04227	0.6
185.13306	0.9
188.25810	0.5
189.12761	0.4
193.12215	0.6
195.09991	0.5
199.14850	0.5
201.05511	0.9
203.05177	0.5
220.93739	0.4
229.05045	1.5
229.14415	1.5
241.19485	0.6
243.08458	2.0
246.64377	0.4
257.04517	1.3
259.20612	1.0
267.16052	0.6
275.20264	0.4
277.21625	0.5
303.04971	31.1
304.05402	1.4
333.20313	0.9
389.22940	0.5
403.24921	0.6
413.17795	9.5
413.22992	0.6
422.34955	0.7
439.19232	0.9
485.19949	0.6
543.36938	1.7
551.28278	5.5
561.37836	1.0
592.43518	0.5
705.39532	0.5
723.39215	100.0
724.39191	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	723.185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	5.4
61.50095	0.6
63.95253	0.7
70.06583	0.7
70.29832	2.9
84.96011	3.2
94.93021	1.7
98.96923	1.4
98.97567	26.4
110.97535	4.6
112.89580	2.9
114.89338	0.9
116.98605	20.0
128.98587	13.2
134.99649	9.6
140.98634	2.7
143.00133	6.7
146.99649	9.9
152.98634	1.1
153.00633	1.5
158.99620	12.3
161.01205	11.2
165.00662	1.9
170.99612	13.5
173.01227	1.1
174.99124	1.2
177.00697	17.8
179.02222	1.7
182.99597	7.8
189.00690	24.1
195.01747	2.5
201.00684	46.1
202.01007	0.9
202.89137	4.1
207.01726	2.5
212.02301	0.8
213.00742	3.5
219.01736	44.7
231.01738	5.6
237.02806	18.1
240.02283	1.0
242.03273	1.3
243.01733	16.6
249.02783	0.9
255.03806	1.5
260.04803	0.7
261.02786	79.2
273.02805	5.9
279.03845	50.9
280.04550	0.7
284.83859	1.1
291.03845	14.4
293.05319	1.0
297.04907	2.2
302.05493	2.4
303.03723	1.5
306.85336	2.2
306.90210	1.6
309.04825	1.7
315.29401	0.7
321.04895	30.7
322.05252	1.0
333.04846	3.7
344.85687	2.5
351.06073	8.1
363.06012	2.5
381.07022	20.7
399.08060	26.2
400.07855	0.7
404.87006	0.7
422.09564	1.5
441.09119	100.0
442.09637	3.0
453.09055	1.4
471.10620	1.1
501.10825	1.0
543.12689	1.6
723.11139	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	723.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52540	0.6
53.03912	1.4
54.73232	0.6
55.01833	1.3
55.05509	3.8
57.03385	2.0
57.05140	0.5
59.04959	0.6
61.02922	4.0
63.20008	0.6
65.03924	0.7
67.05499	14.2
68.99756	0.8
69.03423	5.3
69.07058	3.5
69.70622	1.3
69.71033	3.1
71.04963	1.6
71.08587	0.8
73.02872	2.3
76.94269	0.6
78.54797	0.7
79.05490	7.7
81.03410	5.0
81.07050	8.0
83.04918	1.6
83.08569	2.3
85.02905	5.2
85.06511	0.6
86.09668	1.0
91.03889	1.9
91.05471	10.7
93.07040	9.6
95.04993	2.8
95.05442	0.7
95.08593	5.6
97.02861	4.7
97.06493	2.3
97.10108	1.4
99.04415	1.4
101.02321	1.3
105.07018	9.2
107.04889	0.9
107.08591	6.2
109.02826	1.3
109.06470	1.3
109.10157	7.8
111.00768	1.1
111.08011	0.9
115.05434	0.7
117.06992	4.2
119.08564	6.8
119.22314	0.5
121.02778	0.9
121.06470	1.0
121.10133	4.5
123.08019	1.2
125.09569	1.1
127.03856	2.3
128.06203	0.8
129.06949	2.6
131.08559	4.4
133.10110	4.4
135.08018	0.8
135.11632	2.6
137.02332	4.2
137.09550	0.9
143.08499	2.2
145.04849	0.8
145.06398	0.9
145.10117	3.3
146.49754	0.6
147.08047	0.6
147.11710	4.2
149.09624	0.9
149.13272	1.0
151.11206	0.7
153.01808	3.7
155.08464	1.0
157.10069	2.1
159.11624	2.5
161.13268	1.6
163.11130	1.1
165.01799	2.4
169.10057	1.3
171.11690	1.4
173.11676	1.6
173.13231	1.6
179.14276	0.7
181.10069	0.9
183.02820	0.8
183.11713	1.2
184.07343	1.0
187.14752	0.9
199.14780	0.6
201.05386	2.0
229.04932	4.4
229.14247	0.9
243.08405	2.3
247.05971	1.0
257.04517	2.7
259.20496	2.0
274.04648	0.7
277.21652	1.0
285.03943	1.0
294.72162	0.6
303.04962	100.0
304.05447	1.2
315.04962	1.0
329.87576	0.6
333.20465	1.4
345.05923	0.8
367.22583	0.8
385.23813	1.4
389.22433	0.6
403.24695	1.2
413.17740	9.5
421.34595	0.9
422.35028	1.9
429.19098	1.2
543.37109	1.9
551.28174	4.8
561.38300	1.0
723.39191	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.4
53.00312	2.2
53.03948	11.3
55.01870	18.6
55.05259	3.4
55.05508	49.8
56.05842	2.6
57.03432	16.3
57.07048	2.5
59.05000	4.5
61.02911	6.0
65.03934	5.8
67.05499	100.0
68.05830	4.6
69.03425	30.9
69.07063	34.3
69.76170	15.8
71.01322	2.7
71.04993	15.9
71.08643	3.1
73.02921	5.7
79.05485	63.3
80.05830	2.2
81.03413	93.8
81.07053	84.6
82.07370	3.3
83.01322	4.3
83.04974	26.2
83.08611	32.2
85.02908	21.5
85.06535	6.1
91.03951	3.9
91.05473	66.8
91.60748	2.2
92.05779	3.1
93.07037	64.1
95.04970	32.9
95.08608	33.3
97.02881	28.2
97.06538	14.5
97.10156	24.9
99.04472	13.8
99.08060	3.2
101.74200	2.1
103.05460	3.0
105.07027	49.7
107.04951	27.3
107.08588	44.4
109.02897	18.5
109.06486	15.9
109.10153	46.7
110.10477	5.6
111.04458	11.0
111.08089	12.0
115.05502	3.3
117.07005	26.3
119.08571	46.2
121.06478	12.9
121.10120	25.4
123.04433	4.7
123.08053	10.9
123.11704	6.6
125.06055	2.1
125.09637	15.8
127.03905	18.1
128.06212	4.8
129.05496	3.5
129.07005	14.2
131.04895	4.2
131.08545	25.6
133.06453	6.2
133.10107	27.0
134.10466	3.0
134.99658	2.4
135.08063	13.7
135.11703	15.9
137.05986	2.5
137.09598	7.3
141.06953	4.4
142.07771	4.7
143.08557	12.8
145.06471	8.2
145.10106	31.7
145.26566	2.5
147.08037	9.4
147.11674	19.9
149.09592	14.8
149.13264	5.8
151.11183	4.7
153.12758	7.5
155.08533	6.1
157.10118	14.3
159.11668	16.6
161.09586	4.7
161.13254	4.9
163.11192	21.5
165.09090	4.7
165.12729	4.6
169.10089	6.1
171.08154	2.6
171.10127	2.2
171.11688	9.2
173.04471	12.0
173.05801	2.7
173.09625	7.1
173.11702	5.0
173.13179	5.6
174.12138	3.3
175.11186	10.2
177.12704	5.5
181.12256	8.3
183.11703	5.1
184.07405	2.4
185.13231	4.1
187.11163	5.1
187.14749	2.4
189.11195	11.7
189.12746	4.0
191.10651	6.7
193.10628	2.2
193.12216	15.4
195.11688	2.9
199.11188	3.5
201.12668	4.3
203.17555	2.3
205.12134	2.6
209.11659	4.1
209.13420	2.5
211.13203	16.0
223.13216	5.2
227.12762	28.7
229.12343	3.0
229.14297	15.6
229.19571	2.5
230.14583	5.8
233.15523	2.2
239.18019	4.4
247.20522	3.7
249.14845	3.3
257.18970	9.4
267.15903	9.1
273.18497	15.3
275.20047	43.1
276.20471	3.7
283.15308	15.8
291.19492	38.5
293.21014	4.1
299.20123	2.9
301.14224	2.5
313.21542	5.7
347.22311	5.0
349.23575	15.0
365.23410	2.8
410.26093	4.0
423.27344	9.3
424.27829	19.1
427.19586	6.6
483.31122	3.2
490.18335	2.8
504.33792	4.9
528.37457	5.0
539.33508	10.7
541.46008	2.5
557.34686	32.5
575.35498	5.3
683.37695	5.0
701.38922	14.9
719.39441	46.5
720.39514	3.4
739.69287	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	718.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
55.05507	9.2
57.03432	9.9
57.07075	30.4
61.56821	2.0
62.60823	2.0
63.80785	2.1
67.05497	17.7
69.07064	12.2
71.08632	17.5
79.05481	17.4
81.07058	21.1
81.90804	2.0
83.04942	2.3
83.08594	12.6
85.02904	2.4
85.10175	9.4
89.06065	4.2
91.05511	4.9
93.07041	27.6
95.04968	6.0
95.08603	42.3
95.09168	3.8
97.02899	4.0
97.06529	4.1
97.10152	2.2
99.04451	4.4
105.07027	5.8
107.04948	8.1
107.08591	21.5
109.10154	9.1
117.07029	7.2
119.08585	7.9
121.06532	7.0
121.10140	8.9
123.11782	2.5
125.05976	3.4
133.08647	3.0
135.08063	4.0
135.11688	46.8
145.10121	26.6
163.11180	47.7
173.58450	2.0
181.12239	8.5
227.12782	56.4
229.77237	2.1
283.15393	84.0
283.18521	4.7
313.27368	100.0
346.20313	2.3
393.42401	2.4
447.21613	3.9
475.21106	7.0
521.38373	94.0
522.38641	4.2
535.23547	4.0
547.97736	2.4
553.86877	2.4
621.26599	3.4
622.28040	25.9
622.45178	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	718.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81970	1.2
53.03927	3.3
55.01859	5.9
55.05506	17.4
57.03436	11.5
57.07042	1.4
59.04977	4.6
60.51659	1.4
61.02915	3.3
65.03931	2.8
67.05495	100.0
69.03418	5.7
69.07060	17.4
71.04967	6.0
73.02902	2.1
79.05482	26.9
80.05810	1.5
81.03404	8.9
81.07047	38.5
83.04971	5.6
83.08617	12.8
85.02883	5.5
85.06510	4.6
85.42234	1.3
91.05464	26.4
93.07032	29.6
95.04945	7.6
95.08598	19.9
97.02858	3.6
97.06525	7.6
97.10172	8.6
98.21500	3.7
99.08075	2.8
105.07010	18.2
105.30187	1.5
107.04915	5.7
107.08585	21.8
109.02824	1.8
109.06503	5.9
109.10141	70.2
110.07142	2.0
111.04456	1.5
111.08034	6.9
117.06998	8.5
119.08567	16.6
121.06519	3.6
121.10111	8.4
123.08064	3.1
123.11649	2.1
125.09625	6.0
127.03882	3.5
129.06989	2.4
131.04979	1.8
131.08534	8.9
133.10120	15.9
135.08043	4.5
135.11676	7.2
137.09567	3.6
143.08537	3.7
145.10085	8.8
147.11665	5.9
149.09595	7.5
149.13226	4.9
155.10608	2.5
156.74788	1.3
157.10139	1.9
159.11676	7.8
161.13246	2.6
163.11143	5.3
171.11664	2.1
173.04506	1.8
173.11758	18.1
173.13161	2.8
175.11299	1.6
177.12738	2.5
179.14270	1.6
183.11670	2.4
185.13260	2.3
189.11201	3.5
193.12209	1.5
227.12776	14.8
229.14307	57.9
230.14677	1.8
255.15883	1.9
257.18982	6.3
267.16061	1.6
269.17471	8.7
275.19977	20.0
293.21106	1.9
325.20157	1.6
331.22733	1.4
339.18118	1.5
349.23743	17.0
367.24738	1.7
399.23746	3.2
409.25833	10.9
423.27344	41.1
451.05301	1.5
463.30432	2.5
503.33591	28.1
521.34552	3.8
718.46161	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	717.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.05501	4.3
56.01235	1.0
56.96553	1.5
57.03429	2.6
58.27714	1.1
61.02911	4.0
65.03922	1.4
67.05498	9.3
68.99773	1.9
69.03423	11.2
69.07049	2.7
70.06586	9.9
70.56454	2.2
70.56843	2.2
71.04994	2.3
72.08150	2.7
73.02911	3.8
79.05494	6.9
81.03418	10.3
81.07048	10.8
83.04979	2.1
83.08616	1.5
84.04499	1.5
84.08130	3.8
85.02899	15.1
86.09697	4.1
91.03947	1.9
91.05486	6.2
93.07060	5.4
93.07573	1.1
95.04959	3.3
95.08595	4.9
97.02913	6.3
97.06499	3.4
99.04443	3.4
105.07024	7.0
107.04917	1.3
107.08580	3.5
108.08128	1.7
109.02870	6.5
109.06480	1.7
109.10160	4.8
110.86652	1.0
111.00786	1.3
115.03910	1.4
119.08583	2.9
120.08091	4.3
121.10136	2.4
123.04443	1.1
123.08083	1.2
127.03918	8.9
129.06992	1.6
129.10251	1.8
131.04907	2.1
131.08545	1.2
133.10135	3.6
135.11649	1.4
136.07611	3.0
137.06030	1.3
137.09579	1.7
145.04955	3.0
145.06458	2.5
146.05966	5.7
147.04391	1.6
147.11591	1.4
148.07562	6.5
149.09616	1.9
153.01826	35.8
157.06450	1.5
157.10118	1.5
163.03909	1.3
163.11113	1.2
165.01811	4.9
165.09026	1.5
166.08574	1.6
171.04362	2.5
173.06036	1.5
179.03294	1.3
183.04396	2.1
184.05083	1.2
185.06018	2.6
187.03896	3.6
187.06001	4.3
189.05495	1.6
193.12178	1.3
197.05991	1.8
199.03908	4.1
201.05566	1.7
203.03409	2.3
205.07011	2.2
211.03859	2.9
211.07419	1.3
211.12274	1.6
213.05428	5.4
225.05484	4.9
225.10239	1.3
227.03485	2.7
227.07037	1.4
229.05013	1.7
237.05412	1.4
239.03339	1.5
241.04979	1.4
241.12099	1.2
251.11946	1.4
253.04979	3.2
253.13306	1.7
255.06401	2.0
265.04947	1.7
267.16129	1.3
269.08182	1.2
269.12753	1.2
270.05304	1.4
279.11252	2.6
279.13971	1.3
281.04453	1.5
283.05939	3.4
285.32574	1.2
289.11853	2.1
291.06473	1.2
293.04453	1.4
295.05991	2.7
297.03876	2.2
297.12280	2.4
299.05154	1.4
299.13910	1.7
303.04965	1.4
307.06003	1.2
307.13696	1.3
309.07565	2.5
311.05475	12.5
313.03406	3.4
315.04953	2.9
319.06070	2.7
323.05276	1.1
327.04807	5.4
337.03400	1.7
337.06961	2.6
337.11444	2.3
339.05002	30.0
339.13583	1.3
347.05551	1.9
353.06619	6.4
365.06580	12.3
366.07321	2.2
377.06409	1.5
379.07788	2.7
385.13937	3.4
393.09793	1.5
421.15863	1.3
431.14902	2.5
432.19067	1.2
449.15961	9.4
459.14429	7.4
477.15439	100.0
478.15857	3.3
495.16492	82.0
496.16684	3.3
501.15399	1.6
513.17358	7.3
525.25116	1.4
536.20142	1.5
537.17072	1.3
550.21808	7.3
594.20496	1.5
717.36639	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	717.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
54.97316	0.6
55.05504	2.9
56.96550	1.1
57.03421	2.6
61.02925	3.3
62.03257	0.7
63.18971	0.7
65.03941	0.8
67.05502	8.9
68.99789	2.2
69.03428	7.7
69.07066	1.6
70.06607	3.5
71.04989	1.8
71.58546	0.6
71.59803	0.7
71.60253	0.7
72.08128	1.6
73.02547	0.6
73.02902	4.1
75.01916	0.6
79.05505	4.5
79.44826	0.6
81.03404	7.9
81.06715	0.6
81.07058	7.0
83.04967	1.6
84.04482	1.0
84.08151	1.3
84.95935	0.6
85.02901	11.4
86.09691	2.3
91.03976	0.7
91.05475	4.9
93.07040	2.9
95.04959	2.3
95.08605	2.3
97.02895	5.3
97.06529	2.2
99.04440	1.7
103.05425	0.8
105.07034	2.5
107.04954	1.1
107.08581	2.5
109.02874	5.1
109.10136	3.7
110.09598	0.7
111.00780	1.6
115.03871	0.8
115.05373	0.9
117.07043	0.8
117.19759	0.6
118.29556	0.6
119.04903	0.8
119.08592	2.2
120.08131	1.9
121.10129	1.5
123.04393	0.8
123.08065	0.6
125.09621	1.1
127.03913	9.4
129.06918	0.8
129.10225	1.3
131.04935	1.2
131.08556	0.9
133.04967	0.9
133.10120	1.8
135.08044	1.0
137.02319	1.4
137.05949	2.3
137.09668	0.8
139.03914	1.2
143.08600	0.7
145.04956	2.1
147.04411	2.9
147.11649	0.8
148.07567	1.0
153.01826	30.6
155.04895	0.9
157.06419	1.4
159.04427	1.6
160.05104	0.8
161.05946	1.3
161.13246	0.7
163.11131	0.7
165.01848	4.6
165.09103	1.2
167.03404	0.9
169.06461	1.2
171.02945	1.3
171.04411	2.5
172.05264	0.8
173.05933	1.8
175.03909	0.8
179.08522	0.9
181.06433	1.2
183.02919	1.1
183.04439	2.2
183.08078	0.9
185.05983	3.6
187.03996	3.5
187.05954	4.0
187.07529	1.2
197.05978	2.1
197.11838	1.1
198.06677	0.7
199.03932	3.0
199.07639	1.7
203.03386	0.9
205.07050	2.4
211.03908	3.2
211.07463	0.7
213.05508	3.6
213.08939	0.7
217.04962	1.1
225.05478	3.5
227.03490	2.6
229.04866	1.7
237.05513	2.0
239.03329	2.3
241.04933	2.3
243.11061	0.8
253.04997	3.7
255.06505	1.5
257.04498	1.9
259.06134	0.8
263.06955	1.2
265.04947	2.1
267.06540	1.1
269.04510	1.6
270.05179	0.9
271.05948	1.0
273.03943	1.1
277.12274	1.1
281.04532	1.4
283.06027	3.8
285.10080	1.0
287.05603	1.1
291.06519	1.8
293.04245	1.0
294.05215	0.9
295.05988	1.4
297.04126	1.5
298.04996	0.9
303.05026	1.3
307.05878	1.1
309.07602	3.2
311.05466	11.9
313.03394	2.1
315.04837	1.1
319.06021	2.7
323.05511	1.3
323.12753	1.2
327.05020	4.9
333.11182	1.1
335.05768	1.0
337.03473	1.2
337.06955	4.4
339.04980	31.4
340.05429	1.0
341.06699	1.1
349.07098	0.9
353.06458	7.0
361.07074	1.0
365.06522	11.3
366.07260	2.2
367.08228	1.2
377.06601	2.2
379.08179	1.8
420.15887	0.8
421.16611	1.5
431.14694	1.2
449.15906	7.5
459.14435	8.0
477.15436	100.0
478.15872	2.5
495.16473	79.6
496.16858	2.2
501.15436	1.1
513.17584	7.6
519.16394	1.1
543.16284	1.1
585.17383	0.9
603.18079	1.2
716.35559	2.2
717.35931	7.4
719.00342	0.7
726.57849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96061	0.7
53.03944	2.4
55.01869	3.7
55.05256	1.4
55.05507	19.1
57.03431	8.3
57.07067	2.0
59.04996	3.1
61.02925	2.7
65.03948	1.2
67.05499	79.4
69.03426	7.5
69.07065	19.8
69.89928	2.0
69.90344	2.5
71.04975	3.8
78.13451	0.8
79.05493	16.6
81.03397	5.1
81.07045	21.0
83.04967	2.9
83.08612	9.5
85.02882	3.9
85.06532	3.8
86.09727	0.8
87.04464	1.3
91.03951	1.0
91.05466	16.4
93.07037	13.7
94.04169	1.0
95.04957	6.0
95.08608	10.6
97.02884	8.5
97.06525	2.7
97.10158	9.1
98.20787	1.2
99.04450	1.0
105.07003	9.5
107.04938	4.8
107.08594	11.3
109.06532	1.9
109.10145	67.6
110.10446	0.9
111.08077	3.7
115.05452	0.9
116.84582	0.7
117.07016	5.0
119.04939	1.5
119.08561	13.5
121.06506	2.4
121.10111	3.2
123.08062	3.3
125.09624	6.1
126.05490	0.7
129.06998	2.8
129.17653	0.7
131.08539	5.7
133.06482	2.1
133.10030	3.6
135.08067	3.4
135.11679	2.2
137.09590	5.2
143.08551	2.2
145.10149	4.6
147.07999	4.3
147.11714	2.1
149.09656	0.9
151.11179	1.1
155.10652	3.1
157.10176	1.9
159.11679	2.7
161.09647	2.6
161.13313	1.0
163.11159	1.1
165.09117	1.3
169.12158	0.9
171.11710	1.5
173.11728	17.0
173.13181	1.7
175.11205	1.6
177.12730	1.1
184.07419	0.8
189.11235	3.5
189.12758	0.7
195.13655	0.8
205.12250	1.3
223.13277	15.8
227.12756	3.9
229.14331	70.1
245.19142	1.2
249.14879	3.0
253.14304	2.1
255.17500	1.3
273.18481	12.8
291.19516	94.4
292.19992	2.1
309.20755	1.2
334.26672	0.9
347.22189	3.2
365.23224	41.3
366.23520	1.5
406.30801	0.9
421.25641	1.3
439.26779	3.0
474.09164	0.8
501.31671	1.2
519.33142	100.0
520.33331	4.2
652.04614	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	715.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.6
61.02897	0.4
62.16413	0.3
67.05501	1.2
69.03419	0.5
70.06588	1.2
71.04981	0.4
78.09082	0.3
79.05485	0.9
81.03410	0.8
81.07052	1.2
83.01101	0.8
84.08128	0.6
85.02897	0.6
85.36620	0.3
86.09721	0.5
91.05473	0.6
93.07058	1.4
95.01124	0.5
95.04980	0.4
95.08593	0.7
97.02882	0.5
97.06557	0.7
98.20645	0.5
105.07018	0.8
121.10135	0.4
123.11681	0.3
127.03963	0.4
130.66927	0.3
131.08537	0.4
133.03448	0.6
134.99651	0.4
141.05321	0.5
146.06053	0.6
148.07530	0.4
153.38249	0.3
157.04778	0.4
173.02878	0.4
184.03452	0.4
185.04201	2.0
197.73230	0.4
201.03746	1.6
203.05241	2.4
241.07007	0.4
257.06317	0.6
259.07907	1.9
275.07446	0.4
301.09143	0.4
305.07669	0.6
317.08432	0.7
317.19727	0.6
319.10016	1.0
329.08453	0.6
331.09949	1.9
335.20743	1.0
345.11505	0.5
347.09418	4.2
359.13284	0.6
363.09100	1.4
365.10587	4.3
373.14603	0.6
391.24561	0.6
415.19339	0.6
421.13162	2.8
431.31326	0.6
441.20898	0.6
449.32645	0.5
455.22775	0.9
483.21814	2.1
493.15311	4.1
507.17172	0.8
511.15659	0.4
521.18268	1.0
535.19531	1.1
535.27832	0.6
549.21954	0.4
553.29736	12.6
563.23175	0.6
577.24615	1.2
617.28522	0.6
625.32660	0.5
645.27087	1.3
715.35022	100.0
716.35315	2.6
726.42401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01872	0.5
55.05500	1.4
57.03432	1.2
61.02927	4.3
65.03935	1.9
66.03452	1.5
67.05495	2.9
69.03429	3.3
69.03741	0.5
69.07050	1.5
70.06587	1.3
71.01331	0.5
71.04994	1.0
71.39988	0.9
73.02917	2.6
73.07024	0.4
79.05484	5.0
80.05015	0.8
81.03419	4.7
81.07061	2.7
83.04980	0.7
83.08584	1.1
84.08136	0.7
85.02891	4.6
86.09713	0.6
91.03956	1.9
91.05470	5.4
92.05040	0.5
93.03395	2.8
93.07037	4.2
94.06551	4.7
95.04964	3.1
95.08598	1.1
96.08173	0.5
97.02876	4.4
97.06506	1.2
99.04469	0.8
101.02367	1.1
103.05461	1.8
105.05786	0.5
105.07042	2.4
106.06561	1.5
107.04961	0.8
107.08569	1.7
108.04469	3.4
108.08082	3.0
109.02841	0.7
109.10140	0.5
110.06055	0.9
110.09737	0.5
117.05746	0.6
118.06542	2.0
119.08588	2.0
120.04460	4.3
120.08093	12.9
121.10139	2.0
122.06001	5.1
124.07581	1.7
125.06066	0.5
125.09595	0.6
125.49016	0.4
127.03913	1.7
129.06999	1.0
131.08524	2.3
132.08113	0.5
133.06461	0.4
133.10147	2.1
134.06004	2.8
135.08072	0.4
136.07558	5.0
137.06001	1.2
138.05482	0.9
138.09172	1.0
139.11180	1.0
144.04424	0.8
146.05992	44.5
147.06342	0.8
147.11673	1.4
148.07555	19.2
149.09628	1.6
150.05495	0.5
150.09172	0.8
152.07100	1.1
153.01762	0.4
157.10150	1.2
158.09677	0.8
160.03981	0.6
160.07579	2.7
162.05571	0.8
162.09096	0.7
164.07076	1.3
166.08652	1.0
170.09781	0.5
172.03838	2.3
172.07567	0.9
175.11223	1.4
182.09677	1.0
183.09123	0.8
184.09908	1.1
186.05559	0.5
186.09219	0.9
187.08752	0.7
190.04968	9.7
193.12193	2.2
194.09731	0.7
195.09171	0.8
196.07845	0.6
196.09941	0.9
197.10626	2.2
198.11513	0.7
199.08894	0.6
199.12277	2.2
204.06647	0.6
208.09775	0.7
209.10658	2.4
210.09348	0.8
210.11589	2.1
211.08566	2.3
211.12312	1.5
212.09474	1.3
213.10211	1.0
214.10994	0.7
220.09923	0.6
223.08647	1.0
223.12231	2.4
224.09151	0.8
224.12973	0.7
225.10255	5.1
225.13708	2.4
226.11014	1.3
227.11768	12.9
227.13895	0.9
234.07637	1.3
236.09276	1.1
237.10207	3.0
238.10980	3.2
239.11758	3.4
241.09703	0.8
241.13359	1.2
243.08432	1.9
249.10191	1.3
250.11127	1.1
251.08394	0.6
251.12115	3.5
252.08594	3.2
252.12599	1.5
253.09708	1.6
253.13326	11.0
255.11250	2.6
255.15024	0.6
263.08136	0.7
263.11853	0.5
264.08972	1.2
265.09753	1.0
267.11288	1.2
267.15933	0.7
269.12891	6.4
270.10156	0.6
270.13510	0.5
271.10840	2.4
271.14441	0.7
273.12552	0.7
277.09674	1.0
278.10501	0.5
279.11227	4.2
281.12808	10.3
283.10846	1.9
284.11453	2.3
285.12350	3.4
285.17184	0.8
287.13864	18.9
288.11346	0.5
288.14328	0.8
290.12985	0.5
295.10645	0.9
297.12286	7.0
299.13965	4.2
300.11426	0.7
301.12204	1.1
302.12964	1.0
307.10849	2.1
307.14493	0.5
311.13876	1.1
312.15158	0.7
313.12491	0.6
313.15634	1.3
314.13031	1.9
315.13666	3.0
315.49896	0.6
316.14474	2.5
316.42981	0.5
317.15521	0.9
321.12277	1.7
323.10324	1.5
325.11978	1.7
328.10809	1.0
328.14523	2.3
329.11557	0.5
329.15598	0.9
330.15979	4.0
331.16827	4.3
339.13480	3.5
340.14572	0.8
341.11414	0.8
341.15076	4.1
342.12411	2.0
342.16098	0.8
343.13034	2.2
343.16782	0.5
344.13974	0.9
344.17755	1.2
346.18942	0.5
354.16046	1.1
355.13400	0.6
356.13849	2.3
357.14542	2.2
358.15427	3.0
359.12344	3.5
359.16199	0.9
365.11240	3.7
366.15775	0.5
367.12961	1.8
370.15555	1.3
371.16925	0.7
372.17191	2.8
373.17905	2.7
378.18069	5.6
379.18567	0.7
382.11789	1.0
383.12561	1.4
384.13330	0.8
385.13904	48.9
386.14380	2.4
386.18561	0.8
390.18106	5.8
394.15463	0.6
398.14908	3.7
399.15668	4.6
402.18271	1.1
411.11880	4.2
412.16525	0.8
414.17920	2.5
416.16022	4.1
417.16672	0.7
420.19107	9.1
422.16806	0.7
429.13068	1.0
432.19150	18.1
433.19467	1.2
440.16171	1.7
443.18997	4.1
446.17331	2.0
458.17023	5.7
469.20398	9.4
472.18488	0.5
487.21466	4.5
548.20636	1.2
565.24542	2.0
567.25995	1.8
585.26721	2.7
593.24188	3.3
609.27020	1.8
611.24951	5.3
612.25439	0.6
627.28174	2.4
629.25842	0.8
635.25726	0.8
653.25793	4.8
655.23596	1.5
671.25793	5.0
679.23810	2.0
697.24542	10.7
698.24927	1.4
715.34998	100.0
716.35266	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	715.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57576	1.0
53.03925	1.4
54.84808	1.0
55.05516	1.0
56.96552	1.4
61.02890	1.7
65.03928	3.2
66.03456	2.5
67.05501	3.7
69.03418	3.9
69.07060	2.7
69.91193	6.0
70.06595	11.7
72.08146	3.1
72.68591	1.1
79.05497	5.3
80.04980	1.4
81.03397	3.7
81.07050	4.4
83.04976	1.7
84.04472	1.1
84.08138	6.4
85.02895	4.0
85.58605	1.1
86.09698	8.1
91.03979	1.2
91.05484	5.4
93.03404	4.0
93.07057	5.8
94.06573	6.3
95.04949	4.1
95.08602	2.3
97.02863	2.8
97.06504	2.9
99.04492	1.1
103.05441	2.7
105.03403	1.6
105.07010	2.9
106.06521	1.7
107.08588	3.3
108.04477	5.9
108.08111	6.8
109.02890	1.5
109.10139	1.7
110.07176	1.6
110.09682	1.3
111.04469	1.2
116.04987	2.4
118.06518	3.1
119.08558	2.8
120.04446	8.0
120.08107	26.6
121.06478	1.4
121.10107	2.0
122.06022	11.1
122.09663	1.4
123.08028	1.8
124.07563	2.9
129.10225	2.9
131.08580	1.3
132.08086	2.1
133.10135	1.8
134.05998	4.0
135.11652	1.4
136.07585	9.0
137.05986	5.4
138.05443	1.8
138.09186	1.2
144.04411	1.6
144.08070	1.8
145.06346	1.1
146.06007	82.5
148.04926	1.1
148.07565	36.8
150.05467	1.6
150.09125	1.2
152.07019	2.4
160.07571	5.2
161.05995	1.6
161.09613	1.2
162.05450	1.4
162.09113	2.1
163.03839	1.8
164.07080	3.3
165.09093	2.8
166.08621	2.0
167.07228	1.6
169.07578	1.1
170.09714	1.3
172.03946	4.6
172.07556	2.2
177.05568	1.3
182.08293	1.4
182.09715	2.1
183.09116	2.6
184.07408	1.3
184.09816	1.5
186.09149	2.0
188.07152	1.4
190.04997	18.5
191.10570	1.0
196.09898	2.1
197.10774	3.6
199.08717	1.5
199.12265	4.0
204.06772	1.2
208.09781	1.3
209.10745	4.6
210.11499	5.9
211.08772	5.6
211.12262	3.1
212.09404	4.1
213.10223	1.5
221.10912	1.3
223.08626	2.0
223.12167	4.9
224.09238	2.2
224.12930	1.7
225.10278	9.1
225.13820	5.9
226.10852	1.7
227.11769	25.8
234.07590	1.2
235.08664	1.2
236.09425	2.4
237.10294	6.6
238.11043	5.4
239.11899	6.8
241.09717	1.6
241.13527	2.4
249.10225	2.4
251.11784	7.7
252.08589	7.0
252.12633	2.9
253.09726	4.3
253.13336	20.9
255.11278	5.4
259.09421	1.1
261.10040	1.4
263.11871	1.6
264.08984	3.0
265.09628	2.1
266.05261	1.3
266.10501	1.6
267.11261	2.3
269.12869	13.5
271.10693	6.7
273.12445	2.0
277.09784	2.0
279.11380	8.7
281.12842	19.3
282.13162	1.1
283.10800	4.5
284.11395	2.3
285.12439	6.5
286.13159	1.9
287.13889	41.9
295.10788	2.6
297.12311	13.0
299.13910	6.6
301.12286	2.7
303.04962	3.7
307.10629	3.7
311.13803	2.1
313.15732	2.0
314.13092	3.4
315.13632	3.8
316.14523	4.4
317.15338	1.5
318.16003	1.5
321.12228	4.0
323.10278	4.1
325.11987	4.3
327.14069	1.4
328.14551	2.9
329.15378	1.6
330.15994	7.7
331.16827	10.3
339.13538	6.8
341.11847	2.1
341.14963	7.8
342.12280	4.2
342.16055	1.6
343.12979	2.8
344.13943	2.6
344.17603	1.4
346.18851	1.5
354.15973	1.6
355.13202	1.2
356.13980	4.6
357.14444	5.3
358.15500	6.7
359.12433	7.7
365.11340	7.1
367.12982	4.8
370.15488	2.9
371.16147	1.4
372.17377	6.3
373.17950	5.4
378.18088	9.4
382.12021	1.5
383.12460	1.9
384.13287	1.7
385.13925	100.0
386.14398	2.9
386.18796	1.4
390.18176	12.5
398.15063	8.1
399.15811	9.2
402.18027	2.6
404.15973	2.7
411.11841	8.8
412.16403	1.7
414.18250	5.8
416.15787	8.5
420.19116	15.2
422.16705	1.8
429.13068	2.8
430.17523	1.6
432.13281	1.8
432.19235	37.0
433.19836	2.2
440.15906	4.0
446.17117	4.9
458.17126	14.3
507.24078	1.2
516.14227	1.2
521.25000	1.3
548.19519	1.5
565.24426	3.6
567.25476	3.9
585.27039	6.5
593.24017	7.0
609.26996	4.0
611.25256	10.3
627.28107	4.8
630.26343	1.4
635.25098	3.0
653.25903	8.4
655.23755	3.9
669.25830	1.4
671.26923	12.0
679.23529	4.4
697.24939	25.6
715.34937	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	715.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
57.03424	1.5
58.22143	0.8
61.02909	4.5
65.03933	3.4
66.03458	3.0
67.05495	3.4
69.03428	2.1
69.59323	2.2
69.59745	4.2
70.06588	1.4
73.02909	3.4
74.73975	0.7
77.25929	0.7
79.05487	6.9
80.04989	0.8
81.03426	4.1
81.07063	2.2
83.04984	1.3
83.08604	1.0
85.02895	4.5
91.03951	1.9
91.05474	5.8
92.05013	1.1
93.03383	5.0
93.07034	5.3
94.06550	7.1
95.04959	3.2
95.08592	1.3
97.02882	3.4
101.02423	1.2
103.05473	2.4
105.07021	1.1
106.06561	2.4
107.08589	1.0
108.04459	5.7
108.08100	7.1
116.04922	1.2
118.06548	3.9
119.04934	0.7
119.08598	1.1
120.04459	7.8
120.08099	24.1
121.10138	2.2
122.06020	9.4
124.07571	2.8
127.03931	2.0
129.07019	1.2
130.06575	1.1
131.07242	0.7
132.08090	1.0
133.10181	1.4
134.06009	5.0
136.07549	11.3
138.05518	2.0
138.09123	1.2
139.27821	0.8
144.04478	1.9
144.08110	1.3
146.05994	86.4
147.11729	1.1
148.06360	1.9
148.07562	41.3
149.09604	1.1
150.09160	1.3
152.07069	1.7
157.10077	1.2
158.06032	1.3
158.09650	1.5
160.07541	4.7
162.05522	1.5
162.09140	1.9
164.07079	3.3
166.08650	2.1
170.08339	0.9
170.09651	1.5
172.03920	6.2
172.07593	1.5
174.05467	1.4
176.07101	1.8
182.09685	1.6
183.09221	1.6
184.09883	1.2
185.10687	1.4
186.09195	1.7
187.08748	1.0
188.07181	1.3
190.04976	18.9
193.12259	2.0
194.09796	1.2
195.09149	1.9
196.07625	1.2
196.09995	2.3
197.10770	3.2
198.09285	1.0
198.11441	1.3
199.08662	1.6
199.12250	4.8
207.09175	1.0
208.09776	1.0
209.10709	4.9
210.09222	2.6
210.11540	4.2
211.08647	5.2
211.12360	3.0
212.09444	2.3
213.10315	2.1
213.13818	1.1
214.10774	0.9
217.69316	0.8
221.10709	1.8
222.11436	0.9
223.08694	1.0
223.12236	6.0
224.09468	2.7
224.13045	1.6
225.10205	10.1
225.13730	6.3
226.10896	1.3
227.11758	25.3
227.13904	1.5
233.07112	0.8
233.10846	0.9
234.07697	2.3
235.12129	0.9
236.09216	1.0
237.10210	6.0
238.10924	7.4
239.11725	6.6
241.09808	1.1
241.13475	2.5
243.08464	2.1
243.11295	1.2
249.10347	2.6
250.11104	1.5
251.08202	1.1
251.09416	1.0
251.11757	7.5
251.14253	0.8
252.08653	7.6
252.12585	2.6
253.09746	3.9
253.13350	20.7
253.15996	1.1
255.11249	4.5
255.14992	1.1
261.10263	1.1
263.11850	1.1
264.09000	2.7
265.09805	2.5
265.13324	1.2
266.10489	1.9
267.11407	2.8
269.12823	15.2
269.15482	0.9
271.10834	6.5
271.14285	1.1
273.12344	1.2
277.09692	2.1
278.10678	2.5
279.11258	9.0
280.98468	0.8
281.12820	20.2
283.10837	4.3
284.11725	3.5
285.12286	6.5
286.13223	1.8
287.13867	42.3
288.14679	1.1
290.12955	0.8
293.12698	1.2
295.10861	2.5
295.14154	1.1
297.12311	12.5
299.13943	8.2
301.12262	1.6
302.13126	1.7
304.14508	1.9
307.10809	3.5
311.13989	2.5
312.15179	1.4
313.12234	1.8
313.15500	2.6
314.12994	3.4
315.13480	4.1
316.14511	5.8
317.15308	1.6
319.10812	0.8
321.12476	3.4
323.10339	4.0
325.11853	5.1
327.14508	1.0
328.10748	2.6
328.14542	2.4
329.15305	1.7
330.15976	9.6
331.16769	9.0
339.13501	6.9
340.14575	1.3
341.11508	1.5
341.15082	7.5
342.12424	4.0
342.16174	2.5
343.13318	3.1
344.13931	2.7
344.17825	2.3
346.19238	1.8
352.14270	1.1
354.12262	1.0
354.16229	1.9
355.13300	1.2
356.13931	5.1
357.14511	4.9
358.15469	6.7
359.12326	6.8
359.16074	1.0
365.11255	6.4
367.12958	4.8
370.15503	2.7
371.16626	2.0
372.17032	4.5
373.17978	5.1
378.18091	11.1
380.14014	1.2
382.11917	2.2
383.12546	1.9
384.13428	1.8
385.13913	100.0
386.14523	3.5
386.18948	1.4
390.18097	13.8
394.15640	1.1
398.14886	8.4
399.15753	8.7
402.18365	2.3
404.15707	2.0
411.11890	10.9
412.16815	1.8
414.18073	6.6
415.16641	1.3
416.15860	8.5
420.19128	15.9
422.16855	1.1
428.16141	2.4
429.12711	2.1
430.17697	1.2
432.19171	35.3
440.15988	3.9
443.18948	3.0
446.17038	4.0
458.17072	13.8
469.20526	7.4
487.21579	4.1
495.46011	0.9
507.23877	1.4
539.26471	1.0
548.20349	1.6
565.24451	5.1
567.26013	4.1
575.23022	1.4
585.27069	5.7
593.23914	7.0
609.26843	3.8
611.24939	11.9
627.28198	5.0
627.37677	1.0
629.26306	1.0
635.25214	2.5
653.25970	8.3
655.24030	3.4
671.26697	12.5
679.24310	3.8
697.24921	23.2
715.35083	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.26
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	2.7
66.03452	1.4
79.05495	4.8
80.05021	1.4
85.02924	1.3
91.05482	3.1
93.03400	4.4
93.07033	3.1
94.06568	6.0
98.20692	3.0
103.05461	3.3
106.06551	2.7
107.07375	1.5
108.04488	5.0
108.08130	6.7
116.04975	2.5
118.06555	3.6
120.04478	8.2
120.08102	28.0
120.64765	1.3
122.06027	10.1
124.07600	3.5
126.32900	1.3
132.08061	1.5
134.06023	5.5
136.07599	8.8
138.05496	2.0
138.09137	2.0
144.04440	2.6
146.06001	73.2
147.06419	1.8
148.06374	2.2
148.07565	40.9
152.07053	2.3
160.03937	1.8
160.07593	5.4
164.07005	3.1
166.08614	2.0
167.07246	1.5
172.03952	6.6
172.07623	1.8
182.09695	2.5
186.09204	2.9
190.04991	21.1
195.09265	1.6
197.10779	3.3
198.09288	1.4
199.12256	2.7
204.06642	1.8
209.10789	5.5
210.09380	1.8
210.11499	3.5
211.08630	3.2
211.12314	2.4
212.09406	3.2
213.10207	1.8
214.10834	1.6
221.10744	1.5
223.08589	1.7
223.12302	3.9
224.09418	3.2
225.10210	11.6
225.13893	5.4
226.11031	2.6
227.11797	28.8
228.11971	1.3
229.26202	1.5
233.10832	1.5
235.08684	1.5
235.56670	1.2
236.09422	2.2
237.10112	7.6
238.11026	4.6
239.11861	6.4
241.09758	1.5
241.13336	2.0
243.11398	1.9
249.10045	1.6
250.10999	1.5
251.11702	6.2
252.08716	5.7
252.12553	3.1
253.09662	4.0
253.13361	17.9
255.11296	5.2
264.09076	1.6
265.09732	2.5
267.11353	2.4
269.10092	2.5
269.12842	16.5
271.10837	4.7
271.14377	1.6
273.12360	2.0
277.09811	2.5
279.11166	9.4
281.09802	2.1
281.12817	18.5
283.10822	5.5
284.11520	4.7
285.12393	8.6
286.13022	4.7
287.13879	47.0
295.10861	3.1
297.12341	11.9
299.14020	7.7
307.10638	3.3
308.95209	1.5
311.13965	1.7
313.15625	1.7
314.12903	4.3
315.13678	4.0
316.14444	6.4
321.12427	3.6
323.10223	3.8
325.11890	4.9
326.16446	1.4
328.10904	2.6
328.14615	3.0
329.15244	1.8
330.15945	6.4
331.16727	8.0
339.13501	6.6
340.14417	1.6
341.11304	2.9
341.14990	10.2
342.12399	5.9
343.13190	3.3
344.13800	2.1
344.17587	2.3
346.19116	2.0
356.13931	4.7
357.14539	4.8
358.15497	8.6
359.12210	8.3
365.11264	9.3
367.13022	4.7
370.15704	2.0
372.17163	4.6
373.17929	4.8
378.17941	11.9
382.11804	1.9
383.12616	2.9
384.13254	2.9
385.13925	100.0
386.14410	3.7
390.18103	11.1
398.15012	11.1
399.15863	12.3
402.18085	3.2
411.11838	10.9
412.16748	1.6
414.18079	5.0
416.16122	9.5
420.19138	15.0
429.12555	1.9
430.17490	2.0
432.19171	37.5
440.15964	3.6
446.17142	4.2
458.17181	13.7
501.68524	1.4
547.23108	1.6
565.24579	3.1
567.25812	4.7
585.26617	4.2
593.23511	8.3
595.61951	1.4
609.26788	4.9
611.24805	14.4
627.27917	4.2
635.25348	2.9
653.25958	10.0
655.23871	4.3
671.27118	21.6
679.23340	4.0
697.24957	28.6
715.34735	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	714.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.0
56.05040	2.6
57.07077	2.3
67.05492	8.7
69.07055	7.2
71.59193	2.6
72.01402	1.8
79.05482	5.0
81.07066	10.7
82.06584	4.3
83.08611	3.8
85.02871	2.0
85.10157	1.8
91.05476	6.3
93.07034	4.9
94.06573	14.0
95.07303	3.4
95.08607	5.9
96.08120	5.6
105.07024	6.4
107.08580	5.5
108.08159	2.0
109.10147	3.1
110.83047	1.8
112.31365	1.7
119.08581	5.4
121.10138	6.7
133.10143	4.8
135.11646	1.9
141.33484	1.7
160.51224	2.0
162.20650	2.0
178.20419	2.1
233.22560	2.2
245.22658	4.3
250.25325	7.0
262.25281	100.0
272.25833	5.7
280.26279	6.0
504.47778	5.1
516.47644	25.2
518.49158	6.5
534.48737	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	713.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62872	0.3
52.79343	0.3
53.03945	0.4
55.01872	0.5
55.05507	2.9
56.05029	2.5
56.96544	0.4
57.03433	1.3
61.02927	4.2
67.05501	1.7
68.05015	2.0
69.03416	2.2
69.07056	0.6
70.06585	41.6
71.04987	1.5
71.07354	0.3
71.35754	0.7
72.08149	100.0
73.02908	1.9
73.06539	0.4
73.08508	0.3
79.05486	1.4
80.05015	4.3
81.03399	2.0
81.07050	2.1
82.06596	1.3
83.04977	0.4
83.08609	1.6
84.04536	0.3
84.08141	2.0
85.02897	4.2
85.07675	0.6
85.40834	0.3
86.06091	0.7
86.09698	0.6
88.07614	1.5
91.03946	2.8
91.05459	1.8
93.07052	1.1
94.06573	1.5
95.04965	1.1
95.07363	0.4
95.08595	0.6
96.04517	0.3
96.08136	1.4
97.02886	3.1
97.10155	2.4
98.09642	0.4
105.07042	1.1
105.10248	0.3
106.06542	0.5
107.04951	0.3
107.08591	1.5
108.08148	1.0
109.10120	0.4
110.05999	0.5
110.09672	10.1
111.08109	0.3
112.07624	0.4
113.10754	0.4
114.09184	1.0
119.08582	0.7
120.08042	0.6
121.10123	0.4
122.06046	0.4
122.09700	0.5
125.09611	2.2
126.09171	1.0
127.03910	1.7
127.12345	0.7
128.10703	4.9
129.06989	0.3
129.10237	0.3
131.08591	0.5
133.10152	0.9
135.08080	0.4
135.11780	0.5
136.07553	0.5
143.11787	0.6
145.04974	0.8
146.09662	0.4
147.04483	0.4
147.11693	1.1
150.09114	0.6
151.13586	0.5
157.10094	0.6
164.14413	0.6
174.12782	0.5
175.11258	0.7
177.05450	0.6
189.11215	0.7
192.13823	4.5
193.12320	1.3
198.11186	1.4
210.14853	1.9
232.11964	0.4
232.17058	0.8
237.02809	0.4
250.18185	0.4
266.17593	1.5
267.15967	1.0
268.98071	0.3
279.20767	0.4
280.19034	0.6
282.17087	0.7
283.15482	0.6
284.18536	14.9
285.17065	1.3
300.18195	0.4
302.19592	2.5
324.21704	2.1
326.19711	1.0
353.24289	1.8
354.22977	1.2
362.19769	0.4
371.25378	2.6
372.23868	1.0
389.26425	15.6
410.21445	1.6
428.22723	0.8
429.21329	0.4
445.20847	0.4
446.23831	7.0
447.24875	0.7
464.24960	0.7
486.27142	0.6
497.28424	0.6
515.29364	1.4
533.30725	2.2
534.29291	0.4
551.31689	16.0
608.29242	1.8
609.29865	0.8
677.35223	1.3
695.35687	1.5
696.34229	0.5
713.36932	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	713.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
55.05500	0.9
56.96564	0.7
57.03413	0.8
57.41150	0.3
61.02906	1.2
67.05505	1.9
69.03419	1.5
69.07055	0.6
70.06587	0.9
71.04990	0.4
71.60441	0.6
73.02910	1.1
79.05479	1.5
81.03401	1.8
81.07054	1.6
83.04996	0.5
83.08625	0.7
85.02927	1.8
86.09694	0.5
91.03951	1.1
91.05470	1.7
93.07032	1.2
94.06573	0.4
95.04954	1.0
95.08600	1.3
97.02872	1.9
97.06540	0.8
99.04448	0.6
101.02399	0.4
105.07014	0.7
107.08595	1.0
109.02844	0.5
109.06530	0.5
109.10152	0.9
111.04430	0.4
117.07007	0.6
119.08574	1.0
120.08106	1.0
121.06495	0.4
121.10152	0.7
127.03923	0.7
129.07054	0.4
131.00168	0.5
131.08543	0.6
133.10158	0.9
136.07564	0.5
145.10110	0.5
146.06018	0.6
147.11752	0.6
148.07579	1.3
149.01237	1.0
149.09569	0.4
157.10130	0.5
157.83301	0.3
163.11220	0.9
189.00653	0.4
190.04944	0.8
193.12294	0.5
198.09157	0.8
211.13194	0.6
243.08664	0.7
243.11287	1.6
251.12331	0.4
252.08690	0.5
267.09076	3.5
283.06107	0.5
285.09659	3.1
285.12891	2.5
285.17188	0.5
309.10168	0.9
364.36969	0.4
385.14008	0.8
399.06052	0.4
429.29700	0.4
430.17883	0.5
442.15811	0.4
447.30432	0.6
448.28061	1.0
467.18851	1.1
469.20529	1.8
485.17224	3.7
560.81439	0.4
625.44482	0.4
641.31665	0.9
695.32477	2.5
713.31677	100.0
714.31763	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	713.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
54.12197	1.1
55.01876	1.2
56.96559	1.1
57.03427	1.3
61.02913	1.6
65.03925	2.0
65.67317	1.0
67.05485	4.0
69.03390	2.5
69.26173	1.4
69.26569	9.7
70.06583	1.4
72.08138	1.0
73.02917	1.1
79.05490	7.0
79.41375	1.0
80.05001	1.7
81.03394	3.8
81.07038	3.4
83.04954	1.5
84.00002	1.0
85.02908	2.3
91.05457	6.5
93.03418	1.2
93.07040	6.6
94.06555	4.2
95.04943	3.1
95.08612	1.4
96.08127	1.8
97.02908	1.6
97.06480	1.6
98.21437	2.3
103.05458	5.1
105.07043	2.5
107.08559	2.7
108.08100	8.5
109.10136	2.0
110.09647	2.0
118.06507	2.8
119.08539	1.6
120.04436	7.6
120.08092	40.6
121.10114	1.3
122.06026	5.4
131.00154	1.8
131.08592	1.1
134.06000	3.1
136.07549	11.3
138.09155	2.8
144.04384	1.1
144.08110	2.2
146.06007	25.5
148.07564	50.7
149.01210	1.8
156.08061	1.6
160.07597	1.6
164.07088	2.0
166.08640	2.5
170.09579	2.1
172.03912	3.0
172.07578	2.0
183.09169	1.2
184.07523	3.8
190.04980	13.6
193.12263	1.9
197.10721	2.7
198.09219	8.3
207.09122	1.3
208.09810	1.7
209.10730	3.7
210.11369	1.3
211.08603	3.0
211.12094	0.9
212.09219	1.6
213.10251	1.2
215.11882	5.2
221.10631	2.9
222.11462	1.2
223.08656	2.1
223.12280	4.3
224.09280	3.6
225.10194	6.1
226.08621	2.6
226.10739	1.1
227.08179	1.7
227.11777	4.1
234.11493	1.2
235.08543	1.6
236.09393	2.7
237.00764	1.1
237.10263	6.2
238.11057	2.3
239.11783	2.5
241.09659	7.7
243.08928	1.3
243.11278	30.5
249.10243	5.0
250.10989	2.9
251.11806	11.3
252.08646	12.3
252.12546	1.0
253.09607	3.6
253.13385	4.5
255.11275	5.8
256.11743	1.1
261.10172	1.7
263.11768	2.6
264.08908	2.3
265.09692	3.8
267.08948	9.1
267.11337	1.6
268.12152	1.3
269.09256	1.9
269.12778	1.9
277.09647	3.6
278.10263	1.1
279.11252	8.2
281.12939	6.3
283.10687	7.5
284.11530	2.3
285.12411	59.6
286.13113	1.6
287.11487	1.9
291.14758	1.4
296.11526	20.4
297.12396	6.3
298.13602	1.6
299.11200	2.1
300.11557	1.2
301.11871	3.8
302.12811	1.6
303.13483	1.8
307.10767	1.7
308.11490	10.7
309.09833	1.7
310.13150	2.2
311.14044	1.9
312.14978	1.5
313.12378	1.3
314.12793	6.2
315.13730	1.6
316.14362	2.7
319.14374	3.5
324.14932	1.6
325.11765	5.0
326.12900	2.8
327.13889	2.9
328.10672	1.6
328.14383	9.4
329.11487	4.5
329.15372	2.7
330.12323	11.8
330.15982	3.8
331.14249	2.0
335.14108	1.7
336.15042	1.7
337.11661	1.5
338.16498	1.3
339.14130	1.3
340.14325	2.9
340.18155	2.2
341.15002	3.3
342.12305	13.9
342.16055	3.7
343.13080	3.5
344.13785	2.6
344.17728	1.5
345.14594	4.6
346.15308	2.6
354.16293	1.3
355.13089	3.3
356.13861	12.9
356.17767	2.0
357.14639	8.5
358.15427	11.4
367.12909	2.0
368.14099	1.5
369.14987	2.1
370.15527	12.1
371.16064	3.1
372.16998	2.5
373.17902	10.4
374.18698	10.4
382.15356	1.4
383.12454	1.9
384.12732	1.3
384.16992	3.7
385.13824	21.1
385.18326	1.6
386.18488	2.9
389.13544	1.0
394.15384	1.4
395.16177	2.5
400.11685	1.4
400.16525	19.4
401.17123	1.2
411.11703	2.8
412.16611	9.7
415.15176	3.7
417.16766	3.4
418.17575	100.0
419.17767	4.4
430.17578	76.6
431.17926	2.0
444.18686	2.0
469.20557	1.2
474.16534	3.2
485.16846	8.1
521.25433	1.2
537.25061	9.7
547.23090	3.0
565.24310	11.9
583.25012	4.9
597.26813	2.3
607.25262	4.5
625.26416	18.4
651.24237	4.4
669.25281	10.6
670.25146	1.3
695.32336	1.6
713.32349	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05509	3.5
61.02919	2.0
65.03933	1.5
65.89790	1.1
67.05498	5.0
69.03428	2.5
69.07065	2.8
70.06581	4.5
70.32878	1.1
72.08163	1.8
73.02903	3.9
79.05495	6.4
81.03410	4.1
81.07055	4.5
83.08565	1.5
84.08141	1.5
85.02898	3.8
86.09692	2.3
91.03969	1.4
91.05476	4.4
93.07026	6.2
94.06574	4.1
95.04962	2.6
95.08591	2.0
97.02885	3.1
97.06531	2.1
98.21498	3.3
103.05474	3.9
105.05759	1.6
105.07040	2.9
107.08591	2.2
108.08128	5.6
109.02869	2.0
109.10144	3.9
114.75459	1.2
116.04941	1.4
118.06560	3.7
119.07325	1.7
120.04465	3.6
120.08097	27.2
120.08930	2.0
121.06479	1.0
121.10104	1.4
122.06037	9.2
123.08060	1.3
123.11736	1.5
124.07629	1.5
127.03918	1.2
129.07013	1.7
130.12971	1.0
133.10155	1.4
134.06007	1.9
135.11714	1.3
136.07576	8.5
137.06004	2.7
137.09596	1.6
138.09145	2.3
144.04459	2.2
145.10098	1.6
146.05995	26.7
148.07564	47.2
149.09604	1.3
156.80595	1.2
159.68549	1.2
160.07571	2.5
162.05574	1.6
166.08667	3.5
170.09651	2.1
172.03964	6.5
172.07594	2.5
175.08669	1.3
175.11188	1.4
184.07530	2.5
187.12329	4.4
190.04980	26.3
197.10947	1.7
198.09120	16.3
200.09369	1.6
210.11461	1.5
211.08630	2.6
212.10844	1.5
213.10127	1.2
215.11790	13.2
223.08757	1.2
223.12303	2.5
224.09251	1.4
225.10260	3.1
226.08640	4.4
226.10934	1.6
227.11795	3.8
229.13655	1.2
235.08705	1.4
236.09399	3.3
237.10271	3.5
238.10991	1.5
239.11804	3.0
241.09637	5.7
241.13429	1.6
243.11275	61.8
244.11641	1.3
249.10237	4.0
250.11003	2.2
251.11855	7.2
252.08647	14.3
253.09731	2.8
253.13431	5.0
255.11334	3.4
257.12866	2.5
263.11890	1.8
264.09018	1.7
264.52258	1.2
265.09735	2.5
267.09009	2.4
277.09607	2.5
279.11365	5.2
281.12912	8.2
283.10852	2.5
285.12332	100.0
286.12802	3.0
287.14069	2.9
295.10791	1.7
296.11533	9.6
297.12369	4.7
299.14020	1.2
303.13315	2.4
308.11530	5.1
309.12625	1.3
312.15140	1.5
314.12897	2.8
315.13586	1.3
316.14435	2.1
319.14465	2.6
325.11887	4.7
325.15479	1.2
326.12982	1.8
327.13626	1.9
328.14447	3.1
329.11832	1.3
330.12527	5.3
330.16028	2.1
337.11835	1.6
340.18109	1.8
341.15314	3.0
342.12354	5.8
342.16156	3.9
343.13147	3.4
344.13858	2.8
346.15585	1.9
352.14798	1.4
355.13086	1.8
356.13831	6.1
357.14673	5.6
358.15549	6.6
368.13824	2.7
370.15439	4.9
371.16364	1.2
372.17010	2.4
373.17981	3.9
374.18695	4.8
383.12402	2.3
384.17102	3.0
385.13940	24.0
385.18353	2.3
386.18710	1.8
400.16626	10.7
401.13986	1.4
411.11758	7.4
412.16379	5.9
413.17740	1.7
415.15521	2.9
418.17578	44.5
418.23004	2.4
419.18121	1.2
429.13043	3.3
430.17612	33.2
435.27319	1.2
447.30811	2.2
467.19043	1.7
469.20718	3.5
474.16357	1.6
485.18896	2.6
537.24994	3.4
547.22772	1.3
551.28241	3.9
565.24133	7.1
607.25378	1.9
625.26501	12.3
626.27655	1.3
641.31464	6.7
651.24353	2.6
655.33282	1.7
669.25317	8.9
695.32300	2.3
713.32440	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	713.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.8
54.03429	0.3
55.01829	0.4
55.05469	0.5
56.96534	0.6
57.03392	0.5
59.47134	0.3
61.02877	0.5
63.38644	0.3
65.03911	0.7
67.05493	1.7
69.03373	0.8
69.07002	0.4
70.06554	1.1
70.95480	0.8
71.04943	0.3
72.08115	0.4
73.02862	0.4
79.05487	2.3
80.04981	0.4
81.03415	1.5
81.06995	1.2
83.08572	0.3
84.04441	0.4
84.08080	0.6
85.02868	0.8
86.09655	0.7
91.03867	0.4
91.05487	1.8
93.03352	0.7
93.07052	2.6
94.06561	1.9
95.04959	1.6
95.08559	0.9
96.08067	0.3
97.02846	0.7
97.06483	0.8
103.05487	1.8
105.05704	0.7
105.06973	0.5
106.06518	0.4
107.08554	0.7
107.15871	0.4
108.04417	1.2
108.08112	1.8
109.02818	0.4
109.06498	0.4
109.10112	0.8
110.09638	0.4
115.05352	0.3
115.23862	0.3
116.04939	1.2
117.07008	0.5
118.06527	1.5
119.07317	0.5
119.08594	0.3
120.04465	2.9
120.07257	0.6
120.08095	12.1
121.06475	0.4
121.10090	0.4
122.06029	7.7
127.03873	0.4
129.06975	0.5
130.06467	0.4
131.00095	0.4
131.07236	0.4
131.08539	0.8
132.07996	0.3
134.05951	1.2
136.07556	6.1
137.05933	0.4
138.05426	0.3
138.09148	0.7
143.08498	0.4
144.04428	3.0
144.07980	0.7
145.10060	0.4
146.05997	21.1
147.06277	0.4
147.11664	0.3
148.07561	30.2
149.01215	0.6
149.07872	0.6
149.09590	0.3
150.05450	1.0
155.07353	0.4
155.08540	0.6
157.08797	0.7
157.10089	0.5
158.09612	0.4
160.03870	0.4
160.07552	0.9
162.05528	1.4
164.06964	0.4
165.09088	0.4
166.08580	0.9
168.08057	0.4
170.09662	3.3
172.02509	0.5
172.03926	8.5
172.07549	1.1
172.09901	1.0
172.11205	0.6
173.07039	0.4
174.09116	0.6
175.08649	1.1
180.07957	0.3
183.06615	0.4
184.07458	0.9
184.11201	0.5
185.07050	0.3
186.09087	0.7
187.08638	0.5
187.12296	4.0
190.04979	26.8
191.05299	0.7
197.10687	0.6
198.09143	16.7
199.08646	0.7
200.09254	2.1
200.11012	0.4
201.10089	0.4
201.13687	0.3
208.09846	0.4
209.10750	1.2
210.11412	0.5
211.08569	0.7
211.12329	0.6
212.10851	2.2
213.10216	0.7
215.11777	14.7
216.12085	0.5
221.10703	0.9
222.11481	0.4
223.08737	0.4
223.12276	1.3
224.09180	0.6
225.10214	1.0
225.13814	0.8
226.08641	4.5
227.11722	1.4
228.08887	1.0
229.09724	0.4
229.13275	0.8
231.11180	0.6
234.07503	0.5
235.08630	0.5
236.09431	0.9
237.10242	1.4
238.10962	1.0
239.11685	1.2
240.10130	1.1
241.09709	1.2
241.13356	0.9
243.11272	63.4
244.11647	1.9
245.13048	0.5
249.08011	0.5
249.10219	2.3
250.10992	0.8
251.11818	3.6
252.08641	15.7
252.12556	0.6
253.09552	0.8
253.13326	3.5
255.11223	0.9
257.12872	2.6
261.10229	0.4
262.10950	0.4
263.11841	0.8
264.08804	0.9
265.09592	0.6
267.08902	2.6
268.09671	0.4
277.09637	0.6
279.11273	2.4
281.09808	0.5
281.12857	8.7
283.10825	0.8
285.12338	100.0
286.12622	3.2
287.11469	0.5
295.10788	0.9
296.11572	1.6
297.12225	1.5
299.14133	0.9
307.10794	1.4
308.11386	0.6
309.10095	0.6
312.15033	0.6
314.12930	0.7
319.14206	0.4
324.15240	0.4
325.11798	4.8
326.12579	0.7
327.13919	0.6
327.17389	0.6
328.10944	0.4
328.14526	1.1
330.12335	1.3
330.15930	0.5
340.10773	0.4
340.14453	0.7
340.18155	1.1
341.15033	1.4
342.12399	2.3
342.15820	0.6
343.12961	1.6
343.16821	0.4
344.13898	0.7
345.14621	0.6
354.12387	0.5
355.13275	0.6
356.13919	2.8
356.17593	0.5
357.14557	1.5
358.15503	2.0
367.13300	0.6
368.13904	0.8
369.14658	0.9
370.15469	1.9
371.16217	0.9
372.17117	0.9
373.17950	0.8
374.18735	1.3
376.16537	0.4
383.12463	0.5
384.17087	1.5
385.13889	17.2
386.14258	0.6
386.18854	0.9
400.16458	2.4
401.13605	0.4
411.11841	6.2
412.16483	2.6
415.15231	0.8
417.16928	1.4
418.17587	8.6
429.12839	2.9
430.17599	10.3
474.16498	2.2
485.16983	2.0
537.24915	0.6
565.24536	2.4
581.24060	0.4
583.25653	1.3
607.25525	0.9
609.23547	1.3
625.26404	5.5
634.22327	0.5
651.24536	0.9
669.25580	3.8
670.26489	0.4
677.28955	0.4
713.33258	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	711.355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04873	0.9
53.03941	0.7
55.01868	1.2
55.05511	2.9
56.96562	1.3
57.03437	2.8
59.04998	1.1
61.02924	7.6
61.77774	0.7
67.05500	9.3
69.03418	5.4
69.07073	2.6
70.06599	1.2
71.04989	2.5
72.08162	0.8
73.02914	3.7
75.22495	0.7
77.67133	0.7
81.03410	7.2
81.07057	7.7
83.04990	2.4
83.08628	2.3
84.08137	0.8
85.02901	9.1
86.09706	1.4
89.75207	0.7
91.03490	0.8
91.03934	4.3
91.05472	7.3
91.28374	0.7
93.07024	4.6
95.04961	3.7
95.08611	3.5
97.02879	6.2
97.06556	2.0
98.21467	1.3
99.04485	1.3
101.02406	1.9
105.07007	4.4
107.04976	2.1
107.08617	2.6
109.02911	2.0
109.06479	0.9
109.10148	6.2
111.04479	1.3
111.08087	1.2
115.03940	0.9
117.07021	1.1
119.08588	4.2
121.06611	1.1
121.10191	2.6
123.08153	1.3
127.03966	2.5
129.07022	2.1
131.08615	2.9
133.10197	2.8
143.08562	0.8
145.05074	0.8
145.10179	1.4
147.07980	1.1
147.11713	2.5
149.09682	2.0
157.10190	2.5
163.11246	1.6
173.11772	1.0
175.11183	1.8
187.10927	0.8
193.12334	2.5
211.13313	1.2
229.14340	1.1
229.25629	0.9
233.11859	0.9
243.08630	3.1
267.06656	0.8
267.09076	1.6
267.16068	1.2
283.06387	2.3
283.15213	3.7
285.10144	2.0
365.14148	1.5
383.15298	2.6
385.07468	0.9
413.18213	3.4
451.19400	9.4
467.19131	2.3
501.23062	7.0
532.68689	0.9
552.62250	0.9
639.29828	23.6
640.20447	0.8
640.30084	1.6
667.32965	1.1
711.35522	100.0
712.36359	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99441	0.4
55.01857	1.1
55.05494	0.5
67.05507	0.9
69.03421	0.7
69.07047	0.6
70.06583	3.8
71.44618	0.8
72.08117	0.9
73.02911	0.4
79.05470	1.0
81.03414	0.7
83.04966	0.5
84.04505	0.7
84.08125	1.9
85.02877	0.7
86.09687	1.3
88.11921	0.3
90.94810	0.4
91.05460	0.7
94.06538	1.4
95.04939	1.2
96.04456	0.6
96.08074	0.4
97.02847	0.9
108.04457	1.5
108.08105	2.8
110.06039	0.6
111.04398	1.0
113.89361	0.4
120.04465	0.5
120.08085	4.2
122.06010	1.8
127.03928	0.6
130.06525	0.4
134.05984	0.6
136.07568	5.1
137.05937	0.7
138.05447	2.2
138.09109	1.5
140.07013	1.4
141.15628	0.5
145.07547	0.5
146.05991	2.6
146.08411	1.3
147.09149	1.2
148.03967	0.4
148.07547	2.8
150.05481	0.8
156.06549	1.6
157.07385	0.7
158.05891	0.4
164.07030	1.3
166.04951	1.2
166.08592	1.9
168.06505	2.8
170.09583	0.5
172.03873	0.5
173.07101	0.5
174.05507	1.5
174.07855	2.1
175.08705	2.1
176.06999	0.5
181.08754	0.6
184.09865	0.6
185.07196	0.4
185.10632	0.6
187.05873	0.5
188.07161	0.6
189.10188	0.8
193.09723	0.5
194.09708	0.6
196.09941	1.6
197.06946	0.5
197.10719	1.7
198.07758	1.0
199.08603	2.5
201.10239	0.7
203.08139	1.8
204.06548	1.9
204.08833	1.4
205.09682	3.3
206.08308	3.8
209.10762	0.4
210.07732	1.1
210.09534	0.5
211.08652	12.1
211.12175	4.0
212.09288	5.0
213.10213	5.0
213.13644	0.6
214.10991	0.8
215.11765	0.5
217.09714	2.0
218.10402	0.8
220.09904	1.1
221.10690	2.7
222.09224	2.0
222.11168	0.5
223.08565	1.1
223.12259	0.9
224.09367	3.1
224.10971	1.9
225.06602	1.9
225.10197	13.1
226.07329	1.6
226.10863	4.1
227.08151	4.7
227.11624	2.3
228.08749	0.8
229.09610	0.6
233.09351	0.4
235.10875	0.7
237.10225	1.9
238.11102	0.8
239.08235	3.3
239.11771	22.0
240.08711	3.3
240.12427	2.1
241.09708	9.0
241.13248	3.0
242.10397	2.2
243.11392	0.9
249.10255	2.0
250.08612	1.7
251.08086	1.5
251.11911	2.0
252.08687	3.7
253.09715	14.1
254.10417	5.5
255.11284	4.6
256.11877	0.6
257.09198	0.6
257.09671	0.6
257.12790	6.2
265.09647	0.8
267.08002	1.3
267.11258	31.1
268.12042	5.4
269.09595	1.0
269.12778	3.9
270.09863	0.7
271.10754	3.3
272.11469	4.4
273.12329	0.9
275.13864	3.3
277.09744	0.7
279.11172	1.3
281.09207	3.0
281.12766	0.7
283.10733	5.4
284.11484	1.6
285.09094	1.0
285.12320	17.7
286.09528	0.5
286.12723	0.6
287.05490	0.6
289.11838	1.4
290.12292	1.3
292.67712	0.5
293.09430	0.5
293.12665	0.9
295.10751	16.4
295.14142	1.0
296.11511	0.7
297.12308	11.7
298.13132	0.9
299.10217	1.8
299.13672	0.9
300.10962	0.5
303.04947	1.9
303.13361	15.5
304.13910	0.5
307.10797	0.7
308.11749	0.6
309.12277	0.7
310.13031	0.7
311.10245	1.6
311.13785	0.9
313.11786	100.0
314.12204	4.8
315.13306	0.9
321.14417	1.7
323.10199	4.9
323.13635	0.7
324.11038	0.7
325.11798	1.0
325.15445	1.2
327.13412	1.1
339.09662	0.9
339.13370	1.1
341.11295	32.2
342.12054	4.4
345.14426	1.1
353.11356	0.8
353.15012	2.2
354.11969	1.1
355.12677	1.7
359.12354	3.0
367.12967	0.6
371.12119	0.8
371.16321	0.8
373.13904	45.6
374.14246	3.0
379.12964	0.8
381.14508	3.6
383.15967	1.2
385.13733	0.6
391.14874	0.8
395.12454	0.7
397.13837	1.2
398.14438	0.6
399.15414	3.5
409.14001	0.8
427.14926	5.3
453.15408	1.1
457.15942	0.6
459.17627	1.3
492.18085	0.7
497.17905	0.6
543.22919	0.5
597.23352	0.6
599.24713	1.2
615.24158	1.4
617.25958	6.9
619.23285	1.0
625.22424	1.3
633.25464	6.6
643.23792	6.1
644.23474	0.6
651.27069	0.5
657.24841	0.5
661.24988	46.5
662.25250	2.9
675.26556	5.8
679.25928	15.2
693.27570	30.5
693.37842	0.5
694.27618	1.4
711.19440	0.5
711.28790	5.8
712.30554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1756
Annotation	8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside]
Peak:m/z	Relative Intensity
53.03949	2.1
55.01852	1.2
55.05497	0.8
55.73668	0.4
57.03419	2.0
58.25345	0.3
61.02927	3.6
68.99768	0.6
69.03423	9.0
69.40059	1.9
69.40491	1.0
70.06574	1.4
71.01331	0.4
71.04975	1.4
73.02909	6.4
81.03412	8.8
83.01322	0.4
83.08610	0.7
83.35136	0.3
84.08156	0.4
85.02894	17.6
86.09715	0.4
87.04424	0.5
91.05430	0.4
93.03382	0.4
95.04919	0.7
97.02880	6.1
98.09657	0.4
99.04452	4.1
100.11250	2.9
103.03924	1.8
109.02877	7.8
111.00771	0.4
111.04427	0.7
115.03931	1.8
121.02848	0.8
123.04419	0.4
127.03904	15.8
128.10707	0.5
133.04959	3.9
135.04335	0.4
137.02324	4.4
145.04941	6.2
149.02321	0.8
150.95607	0.3
151.03848	0.6
153.01790	3.3
154.12238	0.4
163.03838	0.5
165.01819	1.9
169.04999	0.5
173.05949	0.4
182.15382	1.3
183.02904	0.8
187.04118	0.6
187.05991	16.1
201.05411	1.7
205.07042	12.1
209.16539	0.5
210.14821	1.2
229.04936	4.1
229.06911	0.8
247.05885	0.6
247.08194	0.4
257.04346	3.1
274.04596	0.8
285.03873	1.4
299.05380	0.7
303.04956	100.0
304.05319	1.4
313.11627	0.4
315.04926	2.6
316.05518	0.4
327.04938	1.1
341.06387	1.0
345.06027	3.9
345.18057	0.4
355.08304	0.5
355.38284	0.4
365.06830	0.6
369.06097	2.4
373.13895	0.4
377.01752	1.1
391.12286	1.3
393.05978	0.9
395.02908	0.6
411.07114	2.3
424.05301	0.6
453.08344	0.4
489.10034	1.2
507.11282	4.8
526.08490	0.4
531.00446	0.4
675.47211	0.6
693.49023	0.7
711.50208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71867	0.5
53.03933	1.9
55.01870	4.3
55.05503	6.4
57.03435	6.6
59.04987	0.5
60.40490	0.6
61.02908	1.6
65.03931	0.7
67.05501	24.4
69.03424	3.4
69.07067	6.2
70.06568	1.0
71.01342	0.8
71.04988	3.8
71.60259	0.6
71.60651	1.1
72.08176	0.6
73.02898	1.2
73.06552	0.7
79.05068	1.0
79.05487	13.0
81.03412	30.7
81.06573	1.2
81.07051	22.8
82.07387	0.7
83.04975	6.1
83.08607	7.4
84.04507	0.6
85.02893	4.5
85.06532	3.5
86.09689	1.3
87.04421	0.9
89.84699	0.6
91.03935	1.7
91.05476	23.2
93.07040	12.5
95.04966	11.8
95.08591	5.2
97.02868	3.6
97.06519	3.8
97.10143	1.2
99.04433	1.7
99.08055	0.9
105.07023	19.2
107.04964	3.3
107.08593	16.6
109.02886	1.1
109.06490	3.8
109.10150	32.9
109.10909	1.5
111.04418	1.8
111.08116	3.1
113.05983	2.0
115.05378	0.7
117.06985	1.3
117.99209	0.6
118.64983	0.6
119.08572	6.5
121.06509	1.9
121.10156	3.1
123.04444	1.4
123.08065	1.5
123.11703	6.3
125.09597	1.6
127.03870	1.1
127.07542	2.1
128.06169	0.9
129.05478	0.9
129.06985	3.2
131.08577	4.9
133.06491	1.5
133.10120	36.7
134.10439	0.9
135.08046	0.9
135.11690	1.4
137.09612	1.8
142.07722	1.3
143.08575	0.9
145.10106	2.1
147.08025	0.7
147.11664	3.6
149.09605	2.3
151.11168	17.7
157.10126	4.0
159.11656	0.6
161.09619	1.9
163.11182	1.4
169.12221	3.2
175.11119	3.2
179.10631	1.7
184.07301	0.9
193.12233	11.8
193.13850	1.0
194.12749	0.7
209.11714	0.8
211.13242	2.8
215.12724	1.4
227.12740	0.9
229.14313	0.7
238.64758	0.6
253.14339	100.0
254.14618	0.7
267.15900	36.6
268.16315	1.1
271.15402	23.0
283.06091	1.0
283.15250	1.8
285.10046	1.6
285.16891	2.1
292.12509	0.8
300.10809	0.8
309.16998	0.7
353.21036	0.8
357.15793	1.0
371.22125	1.3
373.14883	1.0
373.65350	0.9
374.14627	0.8
389.23151	2.2
437.25156	1.0
445.25888	19.5
463.26898	55.4
464.27255	1.4
477.28262	1.0
495.29507	4.3
505.27747	1.8
519.12775	0.6
530.31409	1.1
571.28723	1.0
590.27527	0.7
639.29803	0.8
692.26154	0.7
710.34485	2.6
711.30621	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.4
55.05259	0.8
55.05505	11.5
56.96551	0.8
57.03183	1.1
57.03430	12.0
61.02903	1.8
67.05499	20.5
69.03423	4.5
69.07065	5.3
70.06566	2.0
71.01326	1.0
71.04999	3.8
71.45105	1.0
73.02900	0.9
79.05485	20.0
80.04977	0.7
81.03410	84.6
81.07047	21.7
83.04974	10.2
83.08611	22.8
83.09103	1.4
85.02894	12.8
85.06513	1.4
86.09678	1.9
91.03917	1.1
91.05475	23.2
93.06464	1.0
93.07034	15.0
95.04961	27.7
95.08589	8.4
97.02882	3.8
97.06524	3.1
97.10166	6.2
97.30846	0.6
99.08094	1.0
103.03954	0.6
105.07024	17.2
107.04946	8.4
107.08598	8.3
109.06501	6.0
109.10151	3.4
111.04425	1.9
111.08061	7.5
113.05981	1.6
115.05459	1.6
115.84779	0.6
117.06997	2.8
118.31980	0.6
119.04932	1.5
119.07777	1.3
119.08566	16.1
121.06499	4.0
121.10135	8.1
123.04404	1.0
123.08058	3.8
123.11627	1.5
124.99976	0.7
125.06019	0.9
125.09625	3.8
127.03896	0.9
128.06221	0.8
129.06989	11.6
131.04909	2.2
131.07594	0.8
131.08559	11.6
133.06488	4.3
133.10103	7.8
134.31181	0.7
135.08012	1.4
135.11636	1.2
137.05931	0.9
137.09602	2.0
141.06941	1.2
142.07739	2.5
143.08549	0.9
145.06456	4.3
145.10089	2.8
147.04337	0.7
147.08060	4.3
147.11674	10.5
149.09598	6.5
153.09090	0.9
155.08469	1.4
157.06496	1.5
157.10106	12.7
159.11653	0.7
161.05949	0.9
163.11147	1.9
165.12715	2.6
171.08003	1.6
171.11667	0.6
173.09537	0.8
175.11172	12.9
184.07315	2.7
185.09636	1.0
185.13255	0.9
189.11208	1.7
189.12720	0.7
193.12219	32.9
197.09572	0.7
198.05453	0.7
211.11270	1.5
211.13260	16.7
215.14169	0.9
219.13680	1.3
227.12602	1.0
229.14311	1.5
233.15335	1.8
237.12668	1.4
249.14772	1.9
255.13760	1.6
267.15887	100.0
273.14804	3.5
285.16922	18.0
293.17343	0.9
299.16541	0.6
301.14420	0.9
339.23087	0.8
341.20993	1.2
349.21762	3.8
367.22659	9.8
381.38452	0.7
385.23630	12.1
403.24738	2.9
405.24316	1.3
415.24838	1.0
433.25803	14.7
441.26489	5.6
459.27362	65.0
460.27878	1.2
477.28448	41.6
495.29022	1.1
519.29272	0.9
585.30231	0.9
710.37689	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	709.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55161	0.1
53.03930	0.5
55.01868	0.4
55.05301	0.1
55.05512	1.4
57.03419	0.4
57.07061	0.4
63.72143	0.1
65.03924	0.5
67.05499	4.7
68.99786	0.3
69.03425	1.0
69.07063	1.3
70.17938	0.5
71.04956	0.3
71.08619	0.2
79.05485	4.6
81.03407	1.1
81.07050	4.5
83.04971	0.4
83.08619	0.7
85.02901	1.3
91.05469	2.9
93.07036	5.3
95.04972	0.9
95.08601	3.4
95.09151	0.1
97.02879	0.6
97.06522	0.4
97.10160	0.4
98.21340	0.1
98.98473	0.2
99.08079	0.2
99.12128	0.1
105.03365	0.3
105.07024	2.1
107.04948	0.5
107.08580	2.2
109.02864	0.6
109.03521	0.1
109.06514	0.3
109.10149	1.3
111.00813	0.7
111.04426	0.4
115.05498	0.1
117.07004	1.0
119.08565	1.5
121.02855	2.9
121.06494	0.2
121.10133	2.3
123.08037	0.2
123.11671	0.5
127.03906	0.5
129.06976	0.3
131.08537	1.4
133.02803	0.3
133.10106	1.0
135.04353	0.2
135.08002	0.3
135.11681	1.7
137.02318	0.8
137.09674	0.2
141.06953	0.2
143.08505	0.2
145.06499	0.3
145.10092	1.0
147.04396	0.7
147.08067	0.2
147.11700	0.7
149.13223	0.7
151.11223	0.2
153.01807	3.6
157.06462	0.4
157.10077	0.3
159.11652	0.9
161.09503	0.2
161.13225	0.4
163.11121	0.2
163.14798	0.4
165.01810	1.7
169.06430	0.1
171.02979	0.2
171.04404	0.4
171.11720	0.3
173.13176	0.7
174.50049	0.1
175.14876	0.2
177.76335	0.1
183.02870	0.9
185.05936	0.4
187.14778	0.3
197.05901	0.2
201.16434	0.2
203.07054	0.2
203.78951	0.1
204.95941	0.1
213.05397	1.4
229.04999	0.2
231.06487	0.7
241.04919	0.8
243.21031	0.4
258.05243	1.3
259.05905	0.4
259.20532	0.2
261.22177	1.3
269.04395	0.3
273.21960	0.2
283.05914	0.2
287.05469	100.0
287.54996	0.2
288.05804	1.1
294.21030	0.2
299.05402	0.2
303.23315	0.2
310.58575	0.1
329.06430	0.4
345.24451	0.2
353.06509	0.2
369.23895	0.3
371.95404	0.2
387.24554	0.2
395.07703	0.3
405.26422	0.2
537.37683	0.4
709.44141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98679	0.5
53.03946	1.5
55.01869	1.9
55.05504	5.0
57.03429	2.5
61.02918	6.5
67.05495	12.7
67.98064	0.6
69.03419	4.4
69.07060	2.9
71.01346	0.6
71.04992	1.5
71.08613	0.8
71.60593	0.9
73.02905	3.6
79.05487	8.7
81.03413	4.3
81.07050	9.3
83.04955	1.5
83.08592	3.0
85.02898	5.1
86.09699	0.8
91.03950	3.7
91.05476	7.0
93.07023	7.9
95.04935	3.0
95.08591	5.6
97.02901	5.2
97.06502	1.4
97.10155	1.8
99.04462	0.8
101.02386	1.7
105.07021	5.7
107.04935	1.3
107.08585	4.6
109.02879	1.2
109.06535	1.0
109.10143	8.1
111.08072	0.9
111.83775	0.6
117.07013	2.2
119.08582	4.6
121.06488	0.9
121.10147	2.4
123.08066	0.5
123.11693	0.7
125.09654	1.4
127.03918	2.4
127.20161	0.6
129.06979	1.1
131.08524	3.5
133.10133	3.3
135.08113	0.8
135.11697	1.8
137.09590	0.8
141.07031	0.6
143.08591	1.5
145.10129	1.9
147.03282	0.6
147.04337	0.6
147.11725	2.3
149.09618	0.8
149.13258	0.8
155.08469	0.6
159.08096	0.5
159.11703	1.2
161.13326	1.8
163.11081	0.7
171.11635	0.7
173.11768	1.1
173.13246	1.2
184.07361	1.4
185.04253	0.6
187.14870	0.7
189.11232	0.6
195.09966	1.1
200.17479	0.6
227.12769	0.8
229.14363	1.6
243.08521	1.7
259.20590	0.7
301.08990	2.0
301.25186	1.3
323.43292	0.6
333.24539	0.7
355.15399	1.2
385.18231	0.9
409.11420	0.5
413.17719	6.5
421.25867	0.9
429.18756	1.0
435.32922	0.7
453.33746	0.9
466.13046	0.7
517.39221	0.6
527.37097	4.1
535.28766	6.4
541.25720	0.9
545.38312	11.9
585.32880	0.6
616.45032	0.6
689.40594	1.0
707.39703	100.0
708.40088	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	707.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30924	0.3
65.31712	0.4
69.35703	3.5
69.36098	0.5
73.10359	0.3
74.63794	0.4
81.03378	0.5
82.99853	0.7
90.58556	0.4
101.00873	3.4
109.02839	0.8
113.00842	0.6
119.01912	13.4
127.02444	0.8
131.01898	7.1
131.51921	0.9
137.01863	2.0
137.02924	2.3
137.51898	0.8
140.02396	0.5
143.01888	13.7
143.51923	0.5
145.03452	7.6
146.02464	0.5
147.01363	1.0
149.01878	0.5
149.02954	0.9
152.02388	1.6
155.01852	7.1
157.03447	3.3
158.02426	0.5
161.02950	21.4
163.04521	1.6
167.01857	5.0
167.03067	0.6
169.03426	2.3
171.04988	2.5
173.02953	20.5
173.53004	0.4
175.04547	2.0
179.01855	1.5
182.03540	0.7
184.04425	0.6
185.02948	36.4
187.04482	4.5
191.03995	0.7
197.02936	15.3
199.04504	0.9
203.03989	14.3
203.54080	0.5
208.04373	0.4
209.02921	1.4
212.04581	0.8
215.03984	9.8
221.05099	0.9
224.04520	1.5
227.03989	8.2
233.05043	1.0
235.91847	0.4
239.03993	0.8
245.05054	100.0
246.05247	1.4
254.05527	0.9
257.05087	5.1
263.06122	13.7
275.06113	11.9
277.05582	0.4
284.06665	3.4
284.56677	1.3
286.07864	0.5
287.06244	0.6
293.07172	4.1
305.07150	13.2
317.07144	0.6
326.26437	0.4
335.08182	3.6
347.08170	1.2
365.09277	54.4
365.59427	0.6
366.09262	0.9
383.10306	6.0
401.11307	0.5
406.12073	0.8
407.10306	1.1
425.11389	47.2
437.11432	3.1
455.12250	2.6
485.13687	1.0
699.14728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.2
56.05008	0.6
57.07043	0.1
58.06591	0.3
60.08158	5.9
67.05489	0.5
70.06567	0.3
71.07365	2.7
71.60654	0.2
79.05459	0.2
81.03408	0.2
81.07051	0.4
86.09697	28.9
87.04449	0.6
87.10017	0.2
93.07047	0.2
95.04893	0.2
95.08583	0.3
98.98461	2.6
104.10735	2.7
105.07046	0.3
109.70603	0.1
119.08574	0.2
121.10112	0.2
124.99995	19.4
138.54558	0.2
143.01030	0.4
166.02640	0.2
184.07323	100.0
185.07710	1.1
470.02597	0.2
544.35767	0.2
698.11530	0.1
706.46924	6.1
707.49109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
54.94918	0.4
55.01862	1.6
55.05505	3.7
56.05032	0.7
57.03423	1.7
57.07067	0.6
60.04529	0.5
61.02912	1.0
62.06074	1.3
67.05502	5.3
68.05015	0.5
68.99773	0.5
69.03430	5.3
69.07064	6.5
70.06234	0.6
70.06588	7.1
70.06951	0.8
71.04987	3.7
71.06914	0.4
71.07380	0.8
71.59485	0.4
72.08148	6.5
73.02921	1.4
73.06547	0.5
79.05487	5.5
80.05018	0.5
80.64564	0.3
81.03409	6.1
81.05817	0.4
81.07052	10.9
82.06583	0.5
83.01348	0.4
83.04956	1.8
83.07335	0.5
83.08622	1.6
84.04498	0.8
84.08150	2.4
85.02897	8.6
85.06532	1.0
86.06062	34.8
86.09675	1.7
87.00824	2.4
87.04434	0.5
91.03925	0.6
91.05479	7.1
92.24747	0.3
93.07033	3.8
94.06584	0.8
95.04951	3.1
95.08611	3.3
96.08126	7.1
97.02870	3.3
97.06535	4.9
98.06035	1.7
98.09080	0.7
98.09689	9.8
99.04449	2.3
99.08100	0.9
100.07634	0.4
101.02337	0.4
101.06047	0.4
103.05481	0.6
105.01861	0.7
105.07019	5.7
107.04978	0.5
107.08572	3.2
108.08120	3.6
109.02882	4.0
109.06522	2.7
109.10118	2.4
110.09669	0.8
111.04424	0.9
111.08057	1.0
112.07615	0.4
113.05968	0.6
113.45332	0.3
114.09174	1.3
115.05405	0.4
115.07549	1.2
116.10722	71.5
117.07018	0.6
117.11058	0.7
119.08571	5.9
120.08091	1.4
121.06475	0.7
121.10143	2.9
122.09664	1.6
122.67420	0.3
123.08054	0.9
123.11681	3.6
124.07571	2.6
126.09157	0.9
127.03896	5.1
129.01796	0.8
129.05470	0.7
129.06993	1.9
129.10213	0.7
131.08542	1.8
133.10103	3.0
134.09673	0.7
135.11679	0.8
136.07578	1.0
137.05997	1.8
137.09622	0.5
138.09103	1.0
140.10684	1.6
141.09131	0.4
142.08615	6.5
145.02846	0.4
145.04953	1.0
145.10109	0.8
146.05989	1.2
147.04326	0.4
147.11676	11.3
148.07536	1.4
148.11221	0.5
149.07944	0.5
149.09621	0.8
151.11176	0.5
152.07050	0.4
152.10683	0.7
153.01823	0.6
154.76848	0.4
157.10104	4.2
158.11829	0.5
159.02882	1.4
159.10197	0.4
159.11615	0.4
161.05922	0.6
163.03886	0.6
163.11189	0.4
165.09146	0.7
165.12743	3.5
175.11165	4.7
177.05354	0.9
193.12219	1.7
194.15286	0.6
212.16423	3.8
229.14281	2.3
230.17557	0.9
231.05011	0.5
237.14900	0.5
254.17497	0.6
255.15909	1.5
259.09503	0.7
267.15836	0.7
273.03824	0.4
290.20978	0.7
297.12567	0.5
299.05466	1.1
301.03488	1.0
301.11713	0.5
303.04910	0.5
308.22162	7.8
313.03329	2.3
314.12109	0.4
317.06226	0.6
326.23239	27.5
327.23682	0.9
344.24280	100.0
345.24692	2.6
347.08380	0.4
355.08023	2.6
364.15912	0.5
386.14673	0.6
399.10736	13.9
422.29333	0.7
440.30069	3.2
458.31158	4.1
459.18237	0.4
460.21875	1.1
487.71359	0.5
494.30649	0.6
506.29565	1.2
508.31378	0.5
530.29425	0.8
548.30817	3.4
555.21997	0.6
574.28394	2.3
592.29608	30.3
593.29565	0.7
688.34308	1.8
706.36444	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	706.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01856	2.9
55.05295	0.6
55.05508	6.4
56.05029	1.5
56.96545	0.7
57.03420	2.8
58.19283	0.6
61.02921	3.4
62.06069	1.5
65.03913	0.8
67.05499	9.3
68.99776	0.8
69.03423	8.4
69.07059	9.2
70.06584	11.8
71.04983	8.0
71.07362	0.8
71.21609	1.2
72.08150	11.6
72.93793	0.6
73.02898	2.2
73.06538	0.7
73.08497	1.0
79.05489	7.6
79.15079	0.7
80.05013	0.8
81.03411	8.3
81.07050	15.7
82.06549	0.8
82.76668	0.6
83.04974	2.0
83.08607	2.8
84.04478	1.2
84.08140	2.6
85.02896	14.5
85.06540	1.0
86.06059	39.2
86.09715	3.0
87.00811	2.5
87.04454	1.2
91.03955	1.0
91.05470	10.6
93.07035	5.8
94.06545	1.1
95.04967	4.6
95.08581	3.9
96.08112	9.0
97.02892	6.1
97.06521	10.0
97.20771	0.6
98.06059	2.4
98.09085	1.2
98.09678	13.2
99.04440	3.8
100.07593	1.0
105.01912	1.0
105.07013	8.1
107.04942	1.8
107.08566	3.3
108.08135	3.2
109.02864	5.0
109.06499	3.4
109.10136	3.4
110.09676	1.3
111.04443	1.3
111.08099	0.7
113.05981	0.9
114.09156	1.6
115.07549	1.6
116.10719	79.7
119.04919	0.9
119.08553	7.5
120.08088	2.6
121.06505	0.8
121.10143	4.2
122.09629	2.1
123.04449	1.0
123.08035	1.1
123.11668	3.1
124.07569	4.2
126.09132	1.0
127.03910	8.0
129.05457	1.8
129.06972	2.3
129.10213	1.2
131.08540	2.1
133.10109	3.2
134.09644	0.7
135.11707	0.8
136.07574	2.2
137.05965	1.5
137.09627	1.3
140.10695	2.1
142.07664	1.0
142.08620	7.5
145.02791	0.8
145.04974	1.2
145.06483	0.8
145.10117	1.3
147.04375	1.9
147.11664	14.7
149.09630	1.3
152.10666	0.9
153.01805	0.7
155.08466	0.7
157.10127	4.7
159.02885	0.8
159.11562	0.7
162.05518	1.8
163.03935	1.3
164.07082	1.1
165.09064	1.2
165.12744	2.9
173.02283	0.9
173.05876	0.9
175.11209	5.9
177.05428	1.5
180.06540	1.4
180.96587	0.7
193.12263	2.4
212.16431	7.2
215.07030	1.0
229.14392	3.5
230.17491	3.4
245.04391	1.7
254.17528	0.8
255.15952	1.4
259.09698	1.5
266.21118	0.8
267.15912	1.5
271.05905	0.6
272.18539	1.2
273.03922	1.2
285.03760	0.9
287.05615	1.2
290.21100	0.9
291.63580	0.7
299.05545	1.9
299.14163	0.6
301.03290	3.1
303.05057	1.9
308.22171	6.6
313.03375	6.5
326.23212	25.5
344.24277	100.0
345.24417	1.6
355.08136	6.0
399.10715	32.3
425.13123	0.9
440.30176	3.0
458.31226	5.1
478.22684	1.6
487.17462	0.8
494.30914	1.0
506.29349	0.9
548.30505	2.5
561.16095	0.8
574.28583	2.2
592.29608	26.6
593.29584	0.8
644.07733	0.8
688.36639	2.1
706.37476	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	705.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01872	10.3
55.05505	13.6
57.03421	3.5
57.07059	4.0
59.04993	5.6
61.02918	2.7
63.82552	0.9
64.88897	0.8
65.03936	1.7
66.16196	1.0
67.05505	22.9
67.79166	0.9
68.99785	1.0
69.03072	1.2
69.03426	18.7
69.07064	26.9
70.06592	4.9
70.73936	1.1
70.74274	2.6
71.04981	5.4
71.79036	1.0
72.08135	1.4
73.02900	4.2
79.05489	19.9
81.03410	14.8
81.07052	40.7
83.04987	9.4
83.08611	13.6
84.08134	1.9
85.02900	23.5
85.06527	5.2
86.06079	1.1
86.09725	1.3
87.00831	9.0
91.03896	1.0
91.05470	19.7
92.05766	1.0
93.07042	38.3
95.04987	6.9
95.08604	45.0
97.02882	9.6
97.06534	9.5
97.10153	4.0
98.09708	0.8
99.04449	5.9
99.08063	2.3
103.33893	0.9
105.01862	6.6
105.07026	37.6
105.07754	1.8
107.04951	1.7
107.08592	66.6
109.02882	11.3
109.06518	12.4
109.10152	59.1
111.04460	1.2
111.08083	18.5
111.11761	2.2
116.10743	1.1
117.01870	0.9
117.07039	5.1
119.08576	44.7
121.06478	2.3
121.10141	34.8
121.11023	1.9
123.08058	7.0
123.11708	15.8
125.05956	1.9
125.09618	9.5
127.03919	15.6
127.07535	1.1
129.01811	1.2
129.06985	3.1
130.07800	0.9
131.08565	13.2
131.10097	0.9
133.09113	1.1
133.10124	34.6
135.08044	2.6
135.11687	37.4
137.05960	2.2
137.09625	9.2
137.13283	4.5
139.07571	5.1
139.11186	5.0
142.07762	2.0
143.08546	7.5
144.09314	1.3
145.04973	4.7
145.10118	21.2
146.10606	0.9
147.08047	1.7
147.11678	40.1
149.09602	4.7
149.13264	11.9
151.11145	2.8
151.14809	1.0
153.09038	1.1
153.12737	3.1
155.08606	2.4
156.09328	0.9
157.08734	2.3
157.10123	12.2
159.02885	4.5
159.08107	1.0
159.11685	24.8
161.09613	2.9
161.13239	14.7
163.11131	4.9
163.14825	4.9
165.09088	8.6
165.11365	2.2
165.12749	38.6
167.10643	1.0
167.14371	2.4
169.10083	2.5
171.11664	8.4
172.12402	1.2
173.09653	1.6
173.13257	12.1
174.14041	1.0
175.11255	5.6
175.14810	8.9
177.12706	1.7
177.16417	2.6
181.10146	1.4
183.11678	4.7
185.13243	8.3
187.11142	0.9
187.14818	16.1
189.12659	1.6
189.16312	4.6
191.14273	2.2
191.17902	7.0
193.12230	16.9
193.15829	5.3
195.11729	1.6
196.75693	1.0
197.13229	2.9
199.14825	7.9
201.16364	31.3
203.10655	1.4
203.14262	2.5
203.17957	42.4
205.12209	1.4
209.13289	2.9
211.14824	4.6
213.16399	10.9
215.17870	6.4
217.15990	1.1
217.19554	1.2
221.13435	1.2
221.15431	5.8
223.14772	2.0
225.16367	4.1
226.17149	3.0
227.17915	10.6
229.19539	3.0
231.04987	2.1
231.17351	7.3
233.19005	1.9
237.16345	2.6
239.17924	2.3
241.15826	2.0
241.19342	2.1
245.19003	1.3
249.16089	2.0
249.18497	24.1
249.21103	1.3
251.17979	3.6
253.19475	5.5
255.21053	3.8
257.22586	4.5
265.19495	1.5
267.15970	1.1
267.21042	4.5
269.22635	39.8
277.21988	1.4
279.20956	2.3
281.22589	1.2
287.23611	10.4
291.21060	2.3
293.22592	5.3
295.24088	1.4
299.14844	1.4
301.64963	1.2
305.22406	1.6
311.23676	2.7
319.24222	1.5
321.25824	3.9
329.24832	3.1
333.25616	1.4
347.27280	2.3
351.26804	1.6
359.22437	1.2
361.28802	2.5
365.28214	1.3
376.58905	1.1
403.33557	33.6
404.33621	1.1
421.34634	100.0
422.35013	2.8
439.35724	17.0
509.27283	3.1
687.41534	1.0
705.32391	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	705.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01862	13.8
55.05509	18.0
57.03432	6.1
57.07073	4.5
59.04990	6.0
59.70347	2.7
61.02928	4.7
65.03930	2.2
67.05174	2.3
67.05504	38.0
68.32785	2.1
69.03427	26.7
69.07066	27.0
69.93108	10.4
70.06593	3.4
71.04980	8.2
73.02911	5.0
79.05494	33.4
81.03418	22.0
81.07057	56.7
83.04966	7.9
83.08607	21.9
85.02907	28.7
85.06544	4.3
86.09688	3.2
87.00830	6.8
91.05476	31.3
91.65044	2.2
93.07053	43.1
95.04932	6.3
95.08043	4.3
95.08606	50.1
97.02908	12.5
97.06538	8.6
97.10146	3.3
98.21410	3.1
99.04448	6.0
103.05458	2.3
105.01842	6.1
105.07038	38.7
107.08590	76.2
109.02879	13.2
109.06519	17.0
109.09444	4.6
109.10149	62.9
109.42127	2.1
111.08072	21.9
111.11712	2.9
117.06995	6.8
118.33077	2.3
119.08573	55.8
121.06495	2.9
121.10138	38.7
123.08049	8.6
123.11696	10.8
125.09631	16.2
127.03926	12.1
128.88867	2.5
129.07007	6.2
131.08559	13.4
131.09401	2.4
133.10130	38.9
135.08064	4.8
135.11674	34.6
137.09613	10.3
137.13257	5.1
139.07582	5.1
139.11201	4.7
143.08548	8.4
145.04987	3.6
145.10138	28.9
147.10509	2.4
147.11673	49.9
149.09612	3.7
149.13278	13.5
151.11157	4.5
153.12743	5.3
155.08586	3.1
157.08812	3.8
157.10115	17.1
159.02861	4.5
159.11679	25.3
161.13266	15.5
163.11169	7.1
163.14830	5.4
165.09070	3.9
165.12758	42.8
167.14316	3.0
169.10170	6.0
171.11641	11.0
173.09593	3.0
173.13261	13.3
175.11205	5.3
175.14783	13.1
177.12741	2.5
181.10168	2.7
181.12279	2.4
183.11633	5.6
185.13228	13.2
187.14760	12.2
189.16425	5.2
191.14334	3.1
191.17946	9.9
193.12204	19.1
193.15829	5.5
195.11716	2.7
197.13292	4.3
199.14790	7.1
201.12672	2.7
201.16403	30.4
203.14175	3.1
203.17941	45.5
209.13242	3.2
211.14845	8.2
213.16428	13.7
215.17912	4.3
221.15405	5.0
225.16388	4.7
226.17079	3.4
227.17947	10.6
229.19644	3.3
231.17374	7.9
233.18950	3.7
249.18497	27.6
251.17900	3.4
253.19492	7.0
255.21025	8.3
257.22534	4.5
267.16016	3.0
267.20984	3.1
269.22620	40.9
281.22546	4.2
287.23706	12.0
293.22556	4.5
311.23447	3.5
360.27936	3.0
361.28986	3.2
403.33588	32.3
421.34641	100.0
421.40314	5.4
439.35889	16.4
543.37030	12.7
687.40045	3.4
698.43005	2.8
705.40961	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	705.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01866	5.2
55.05253	1.3
55.05508	19.3
57.03433	4.0
57.07064	1.6
61.02633	1.2
61.02919	15.2
65.03957	1.0
65.72723	0.7
67.05501	30.1
69.03423	10.2
69.07062	9.7
71.04981	2.8
71.05639	1.9
73.02917	4.9
79.05488	23.8
81.03416	10.5
81.06570	1.6
81.07048	27.2
83.04979	4.6
83.08612	9.8
85.02898	11.4
85.06522	1.4
86.09723	1.1
88.07610	0.8
91.03949	5.6
91.05472	18.2
93.07038	18.4
95.04967	8.8
95.08602	16.8
97.02886	11.3
97.06513	3.1
97.10152	10.2
99.04466	1.8
101.02347	1.2
102.16114	0.8
105.07030	17.6
107.04938	4.3
107.08582	14.4
109.02876	1.8
109.06503	3.3
109.10142	12.5
111.04456	0.8
111.08077	2.9
114.30917	0.7
115.05457	1.8
117.07001	12.5
119.08577	14.7
121.06500	4.8
121.10151	6.8
123.08073	3.4
123.11703	2.5
125.06031	0.9
125.09627	9.8
127.03909	2.2
128.06174	2.0
129.05486	1.3
129.06998	8.1
130.07764	1.2
131.04935	1.1
131.08557	18.0
133.06404	1.2
133.10139	7.7
135.08043	4.7
135.11661	4.0
135.79733	0.8
137.09573	1.5
139.11195	1.1
141.07047	4.3
142.07753	1.8
143.08540	11.0
145.05139	0.8
145.06476	3.1
145.10103	13.2
147.08073	1.8
147.11652	5.1
149.09624	3.0
149.13252	1.6
153.07004	1.2
153.09158	1.7
154.07748	1.1
155.08577	5.4
156.09315	1.3
156.69196	0.9
157.06500	1.2
157.10124	9.7
159.08046	3.3
159.11688	9.6
161.09630	2.0
161.13237	2.6
163.11212	2.6
165.06984	1.3
167.08533	2.8
169.06468	1.4
169.10072	6.0
170.10878	0.8
171.08012	1.5
171.11678	9.2
173.09662	2.7
173.11858	1.5
173.13235	6.8
175.11174	1.3
175.14767	0.9
177.12746	1.3
179.08507	0.9
181.10097	3.7
183.08020	0.9
183.11662	6.9
185.09567	2.1
185.13264	6.6
187.11205	2.5
187.13177	0.8
187.14822	2.3
189.09647	0.8
189.11220	5.3
189.12767	1.3
191.10522	1.4
191.14258	0.9
193.10201	1.3
193.12210	1.5
195.11685	4.7
197.13229	4.0
199.11174	1.6
199.14839	2.8
201.12779	2.2
201.16495	1.1
203.14285	1.1
205.15916	0.8
207.11636	1.9
209.13231	3.3
211.14816	2.5
213.12738	2.3
213.16368	1.3
219.11639	1.1
221.13306	1.1
223.14859	2.4
225.12846	1.4
225.16281	1.5
227.12602	4.7
239.17825	1.0
243.15749	1.2
247.16930	1.0
257.15417	0.9
257.18982	0.8
259.20563	2.1
265.11929	0.7
267.15900	1.4
271.20795	0.9
275.20081	2.1
281.22641	1.1
283.20538	2.2
297.22141	2.2
299.20352	1.7
299.23703	7.9
301.21689	2.3
309.22165	1.0
311.20309	1.0
321.21887	1.4
325.21710	1.7
327.23315	1.0
329.21033	1.9
333.24240	1.1
339.23080	1.8
343.22891	1.0
351.23090	1.4
357.24173	1.9
403.24741	2.7
405.31305	1.0
407.24219	0.8
415.29755	2.3
417.26257	1.7
421.25946	6.5
431.27283	0.9
433.31015	6.0
435.27267	6.4
451.32111	8.3
461.28833	0.9
469.33325	4.8
499.34232	0.8
507.34991	1.7
525.35754	28.6
543.36768	100.0
544.37079	1.9
555.36578	1.0
567.36707	1.9
585.37573	2.2
651.38525	2.7
669.39270	2.6
687.41235	4.6
705.42206	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	705.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03721	0.5
53.03937	3.2
55.01870	10.3
55.05255	0.8
55.05507	13.1
56.96579	0.7
57.03432	4.6
57.07074	3.8
58.01563	0.6
59.05002	6.5
60.89540	0.5
61.02919	2.2
65.03938	1.5
67.05499	22.8
68.99793	1.4
69.03067	1.1
69.03424	17.3
69.07062	25.4
70.06585	1.0
70.66576	1.7
71.04987	3.0
73.02917	2.6
74.09700	0.5
74.99457	0.5
77.03923	0.7
79.05049	1.2
79.05486	17.8
81.03413	10.9
81.07050	42.8
83.04973	7.0
83.08610	12.7
85.02898	19.6
85.06546	4.3
87.00829	7.0
91.05468	18.0
93.07039	35.7
95.04969	4.8
95.08601	40.3
95.09242	1.1
97.02870	8.1
97.06519	7.2
97.10134	3.4
98.21453	0.6
99.04434	4.4
99.08083	2.0
103.05402	0.7
105.01861	5.5
105.07024	38.5
107.08585	70.7
109.02867	8.8
109.06515	12.4
109.10147	57.2
111.08073	19.8
111.08839	0.8
111.11718	1.6
115.05410	0.9
117.01844	1.7
117.07018	4.8
119.08572	45.7
121.06520	1.5
121.10137	36.6
123.08065	6.1
123.11709	14.4
124.99988	0.6
125.09622	12.6
127.03908	12.2
127.07594	0.8
128.06198	0.7
129.01808	0.9
129.07004	3.1
130.07782	0.7
131.08565	12.0
133.10123	34.8
135.08063	1.6
135.11682	35.2
137.05984	1.5
137.09605	8.4
137.13240	6.3
137.30727	0.6
139.07516	5.4
139.11179	5.1
141.06889	0.9
141.09033	1.0
142.07771	1.8
143.08574	7.5
144.09329	1.8
145.04944	3.7
145.10109	20.0
147.11678	41.8
149.09593	2.6
149.13257	11.7
151.11147	3.2
151.14821	0.7
153.12753	4.5
155.08517	2.0
156.09375	1.4
157.08630	1.8
157.10118	10.8
158.10905	1.1
159.02855	5.1
159.11679	22.6
160.12366	1.1
161.09641	2.0
161.13239	13.9
163.11136	3.9
163.14830	4.4
165.09087	2.1
165.12740	39.5
167.14282	2.2
169.10126	2.9
170.10918	1.1
171.11696	9.9
172.12457	1.0
173.09560	1.2
173.13255	12.3
175.11148	5.6
175.14792	10.2
177.12747	2.3
177.16359	3.2
179.10680	0.9
181.10260	1.2
181.12173	0.8
182.10915	0.9
183.11649	4.7
185.13237	10.3
187.11200	1.7
187.14787	13.9
189.12782	1.7
189.16368	6.0
191.14294	2.4
191.17917	6.7
193.12219	17.1
193.15865	5.0
195.11711	2.1
195.17528	0.6
196.12570	0.7
197.13257	3.7
198.14076	0.7
199.14832	9.6
201.16367	30.0
203.14308	2.3
203.17943	42.3
207.17464	0.8
208.12540	0.7
209.13278	3.8
211.14796	5.2
213.16377	11.2
215.17924	5.5
217.15828	0.8
217.19536	1.1
221.13351	1.2
221.15295	4.8
223.14828	2.3
225.16335	4.2
226.17155	2.2
227.17897	9.9
229.19568	3.3
231.17427	7.8
233.15428	0.7
233.18983	1.9
235.14832	1.2
237.16412	1.5
239.17975	2.1
241.15796	0.9
241.19547	3.0
245.19087	0.9
249.18488	24.9
251.17960	3.5
253.19536	5.9
254.20123	0.8
255.21140	4.5
257.22617	5.8
263.17755	0.8
265.19513	2.0
267.21085	4.4
269.22607	43.3
270.22855	0.8
277.21799	1.5
279.21103	2.5
281.22604	1.8
285.22076	0.7
287.23663	10.7
291.21063	2.3
293.22675	3.8
295.23981	0.7
307.24249	0.8
311.23642	3.8
319.24155	2.2
321.25778	4.0
323.27423	1.1
325.25320	0.8
329.24695	3.2
333.25580	1.4
335.27173	1.0
343.26373	0.7
347.27332	3.0
361.28708	2.8
363.30518	1.0
365.28500	1.6
379.29965	0.9
383.29489	0.8
403.33560	34.0
404.34012	0.9
421.34619	100.0
422.35013	2.0
439.35660	14.5
705.42737	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	705.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01872	10.3
55.05505	13.6
57.03421	3.5
57.07059	4.0
59.04993	5.6
61.02918	2.7
63.82552	0.9
64.88897	0.8
65.03936	1.7
66.16196	1.0
67.05505	22.9
67.79166	0.9
68.99785	1.0
69.03072	1.2
69.03426	18.7
69.07064	26.9
70.06592	4.9
70.73936	1.1
70.74274	2.6
71.04981	5.4
71.79036	1.0
72.08135	1.4
73.02900	4.2
79.05489	19.9
81.03410	14.8
81.07052	40.7
83.04987	9.4
83.08611	13.6
84.08134	1.9
85.02900	23.5
85.06527	5.2
86.06079	1.1
86.09725	1.3
87.00831	9.0
91.03896	1.0
91.05470	19.7
92.05766	1.0
93.07042	38.3
95.04987	6.9
95.08604	45.0
97.02882	9.6
97.06534	9.5
97.10153	4.0
98.09708	0.8
99.04449	5.9
99.08063	2.3
103.33893	0.9
105.01862	6.6
105.07026	37.6
105.07754	1.8
107.04951	1.7
107.08592	66.6
109.02882	11.3
109.06518	12.4
109.10152	59.1
111.04460	1.2
111.08083	18.5
111.11761	2.2
116.10743	1.1
117.01870	0.9
117.07039	5.1
119.08576	44.7
121.06478	2.3
121.10141	34.8
121.11023	1.9
123.08058	7.0
123.11708	15.8
125.05956	1.9
125.09618	9.5
127.03919	15.6
127.07535	1.1
129.01811	1.2
129.06985	3.1
130.07800	0.9
131.08565	13.2
131.10097	0.9
133.09113	1.1
133.10124	34.6
135.08044	2.6
135.11687	37.4
137.05960	2.2
137.09625	9.2
137.13283	4.5
139.07571	5.1
139.11186	5.0
142.07762	2.0
143.08546	7.5
144.09314	1.3
145.04973	4.7
145.10118	21.2
146.10606	0.9
147.08047	1.7
147.11678	40.1
149.09602	4.7
149.13264	11.9
151.11145	2.8
151.14809	1.0
153.09038	1.1
153.12737	3.1
155.08606	2.4
156.09328	0.9
157.08734	2.3
157.10123	12.2
159.02885	4.5
159.08107	1.0
159.11685	24.8
161.09613	2.9
161.13239	14.7
163.11131	4.9
163.14825	4.9
165.09088	8.6
165.11365	2.2
165.12749	38.6
167.10643	1.0
167.14371	2.4
169.10083	2.5
171.11664	8.4
172.12402	1.2
173.09653	1.6
173.13257	12.1
174.14041	1.0
175.11255	5.6
175.14810	8.9
177.12706	1.7
177.16417	2.6
181.10146	1.4
183.11678	4.7
185.13243	8.3
187.11142	0.9
187.14818	16.1
189.12659	1.6
189.16312	4.6
191.14273	2.2
191.17902	7.0
193.12230	16.9
193.15829	5.3
195.11729	1.6
196.75693	1.0
197.13229	2.9
199.14825	7.9
201.16364	31.3
203.10655	1.4
203.14262	2.5
203.17957	42.4
205.12209	1.4
209.13289	2.9
211.14824	4.6
213.16399	10.9
215.17870	6.4
217.15990	1.1
217.19554	1.2
221.13435	1.2
221.15431	5.8
223.14772	2.0
225.16367	4.1
226.17149	3.0
227.17915	10.6
229.19539	3.0
231.04987	2.1
231.17351	7.3
233.19005	1.9
237.16345	2.6
239.17924	2.3
241.15826	2.0
241.19342	2.1
245.19003	1.3
249.16089	2.0
249.18497	24.1
249.21103	1.3
251.17979	3.6
253.19475	5.5
255.21053	3.8
257.22586	4.5
265.19495	1.5
267.15970	1.1
267.21042	4.5
269.22635	39.8
277.21988	1.4
279.20956	2.3
281.22589	1.2
287.23611	10.4
291.21060	2.3
293.22592	5.3
295.24088	1.4
299.14844	1.4
301.64963	1.2
305.22406	1.6
311.23676	2.7
319.24222	1.5
321.25824	3.9
329.24832	3.1
333.25616	1.4
347.27280	2.3
351.26804	1.6
359.22437	1.2
361.28802	2.5
365.28214	1.3
376.58905	1.1
403.33557	33.6
404.33621	1.1
421.34634	100.0
422.35013	2.8
439.35724	17.0
509.27283	3.1
687.41534	1.0
705.32391	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	704.449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05019	0.8
57.07069	0.3
58.06597	0.3
60.07873	0.4
60.08158	6.6
67.05500	0.6
68.68178	0.3
68.68587	0.3
69.43866	2.3
71.07372	3.4
72.04997	0.3
79.05482	0.4
81.07049	0.5
86.09696	34.8
87.05528	0.2
93.07036	0.4
95.08614	0.5
98.20657	0.5
98.98457	3.2
104.10740	3.2
107.08598	0.3
109.10187	0.2
115.49622	0.2
124.99991	23.2
135.11728	0.4
143.01086	0.4
181.12334	0.3
184.07320	100.0
185.07706	0.6
343.54642	0.3
347.22815	0.3
496.34311	0.4
704.44879	12.4
705.45276	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	704.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
53.66820	0.4
55.01865	2.6
55.05507	11.2
56.05029	0.5
57.03435	5.0
57.05799	1.4
58.06585	0.9
59.04995	0.9
60.04523	4.3
61.02927	2.7
65.03929	0.8
65.35733	0.4
67.04248	0.9
67.05499	16.4
68.05019	2.8
69.03424	3.6
69.07060	4.9
69.49250	1.9
69.49686	1.8
70.06586	26.3
71.01345	0.4
71.04994	2.0
72.04512	0.9
72.08142	1.5
73.02905	1.6
73.75319	0.5
79.05486	18.1
80.04993	2.2
81.03413	12.2
81.05790	1.7
81.06568	0.9
81.07051	15.3
82.06569	6.3
83.04982	4.3
83.07359	0.7
83.08611	8.5
84.04500	3.0
84.08138	2.9
85.02897	9.9
85.06524	1.1
86.06050	3.4
86.09689	1.1
87.04452	0.6
91.03936	1.1
91.05474	19.3
93.05786	0.7
93.07030	11.8
93.56708	0.4
94.06558	33.0
95.04958	8.1
95.07364	3.2
95.08604	8.1
96.04473	0.9
96.08126	4.2
97.02879	3.4
97.06502	3.1
97.10166	7.5
98.06040	3.3
99.04446	1.1
99.08128	0.6
103.05489	0.7
105.07028	9.3
106.06550	0.7
107.04954	3.3
107.07359	2.9
107.08588	5.6
108.08109	6.6
108.08837	0.6
109.02900	0.9
109.05259	5.2
109.06500	1.8
109.08916	0.9
109.10137	2.8
110.06042	5.8
110.09701	0.8
111.04424	0.7
111.06898	0.4
111.08074	2.1
112.07599	2.1
113.06020	0.8
114.38075	0.5
116.10711	2.1
117.07011	2.7
119.04927	0.5
119.08570	7.9
120.08083	4.1
120.09413	0.5
121.06456	1.5
121.08869	1.1
121.10141	4.2
122.06027	1.0
122.09660	8.2
123.06776	0.6
123.08070	2.8
123.11690	0.7
124.07576	1.5
124.11195	0.8
125.05992	0.7
125.09634	4.7
126.05489	1.8
127.03862	1.4
129.05481	0.6
129.06996	4.0
131.08546	4.6
132.08069	0.8
133.06464	0.7
133.10104	4.0
134.06023	1.4
134.09628	2.8
135.07979	1.0
135.11705	1.2
136.07530	2.7
136.11191	1.3
137.09612	1.2
138.09180	0.6
140.10690	0.5
142.07767	0.9
142.12271	1.1
143.08557	0.6
145.10094	3.5
146.10858	0.6
147.08078	1.4
147.10501	0.7
147.11658	5.0
148.07549	3.0
148.11198	1.2
149.08354	15.6
149.09607	3.9
151.07538	0.6
157.10110	3.9
159.11656	0.8
161.09608	0.9
162.09131	4.6
162.12820	1.2
163.03883	1.0
163.09886	2.6
163.11195	2.9
164.14336	0.6
165.09082	1.2
165.12782	0.8
173.09618	0.6
175.11163	3.1
176.10735	1.5
176.14322	4.2
177.11475	0.6
177.15056	2.3
178.15877	1.2
182.46378	0.5
186.12773	0.9
187.13513	0.6
188.14378	0.9
189.09273	0.5
189.11142	2.3
190.12234	1.0
191.10643	0.7
193.12238	4.8
194.15411	1.5
197.11729	2.9
204.13800	4.6
205.14590	9.9
206.15312	0.6
207.10167	0.5
211.13272	2.9
212.16260	0.5
222.14861	20.5
223.15564	0.8
224.16359	0.6
227.12784	1.9
229.14397	0.4
240.15926	9.9
259.09677	0.5
259.79413	0.4
267.15909	3.9
285.16928	9.0
296.18527	11.9
297.19302	1.6
314.19568	13.7
332.20398	0.6
340.21155	1.5
358.22382	0.6
371.25046	0.5
407.24368	1.2
420.27521	0.6
459.27417	0.5
488.30075	4.7
489.31027	0.6
506.31094	39.7
507.31943	1.9
510.30527	0.9
524.32153	100.0
525.32404	3.7
542.33307	3.2
588.25958	0.6
606.27753	1.3
631.79205	0.5
643.16577	0.5
686.37402	22.4
687.37646	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	702.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01867	3.0
55.05503	22.4
56.51949	2.1
57.03426	14.8
57.07068	5.0
59.04979	4.3
61.02917	6.6
62.18871	1.8
64.94178	2.6
65.03915	4.4
67.05497	100.0
69.03419	9.5
69.07072	14.0
69.29709	16.5
69.30135	9.6
70.06580	7.7
71.04986	4.7
71.47520	2.3
73.02915	2.5
79.05484	40.4
81.03407	13.2
81.07053	41.2
83.04967	5.4
83.08615	14.6
85.02893	8.3
85.06512	3.6
88.07616	4.6
91.03986	3.0
91.05466	44.1
92.05791	2.5
93.07035	46.8
95.04958	8.5
95.08596	29.3
97.02885	9.0
97.06499	2.6
97.10155	5.9
98.06035	3.3
99.04446	3.8
105.07021	39.1
107.04936	3.7
107.08572	20.4
109.06502	3.8
109.10148	71.4
111.08088	3.6
117.07021	15.7
119.08571	40.6
121.10141	15.4
123.08076	2.3
123.11689	3.6
125.09586	4.7
128.06180	3.9
129.06992	10.8
131.08551	21.9
133.10126	28.0
135.11652	13.5
137.09622	4.3
142.07693	2.9
143.08569	9.9
145.10110	13.7
147.11673	28.7
149.02339	10.2
149.13245	8.0
155.08557	4.8
157.10115	6.4
159.11682	14.4
159.72064	2.6
161.13228	18.3
169.10197	3.0
171.11678	8.6
173.11722	23.0
173.13239	7.2
175.14813	9.0
183.11641	3.5
184.07288	2.8
185.13245	8.7
186.13472	3.0
187.14723	3.6
189.11252	3.1
193.04918	7.6
197.13280	2.6
199.14847	4.4
207.11549	2.3
227.12773	8.5
229.14342	69.6
231.21013	4.9
235.40219	2.6
241.19487	22.6
256.26279	12.4
259.20544	66.1
261.22055	3.9
315.23105	4.6
322.88742	2.5
333.24179	48.4
347.75766	2.5
385.08997	2.7
403.10336	3.0
429.11670	5.1
487.34113	22.8
505.35062	16.2
540.37573	7.0
702.37714	35.7
703.39050	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	701.37
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
62.77452	0.2
62.96517	0.2
67.05501	0.8
69.96540	1.0
79.05510	0.5
81.03409	0.4
81.07051	0.6
83.08620	0.3
85.02882	0.3
86.14624	0.2
91.05480	0.5
93.07063	0.4
95.04974	0.2
95.08643	0.3
97.02916	0.2
104.63538	0.2
105.07007	0.5
107.08578	0.3
109.10186	0.4
117.07014	0.2
123.11699	0.3
124.57505	0.2
131.04953	0.2
131.08603	0.3
133.10138	0.3
156.42836	0.2
185.04196	0.3
229.14195	0.3
240.92398	0.2
242.71828	0.2
250.76308	0.3
252.30484	0.2
259.07904	0.5
275.20178	0.2
321.22772	0.5
347.09488	1.1
386.43738	0.2
392.25601	0.3
421.13422	0.3
504.33850	0.7
539.31885	15.8
540.32678	0.6
667.12347	0.2
701.37122	100.0
702.37488	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	700.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.3
55.94239	0.8
57.03428	2.7
57.07072	33.8
61.02922	11.1
67.05501	9.0
69.03419	1.8
69.07065	6.2
69.83709	5.5
71.08627	26.6
73.02926	5.2
73.15332	0.8
75.04480	2.3
79.05484	1.5
81.07056	16.0
83.08609	8.7
85.02902	13.8
85.10168	16.9
91.03948	13.3
92.07495	1.0
95.08601	23.3
97.02885	7.0
97.10162	9.5
99.04417	1.0
99.11736	1.6
109.10141	10.6
111.11713	3.4
115.03894	1.3
121.10191	1.0
123.11702	4.9
127.03932	4.9
137.13295	2.5
145.04933	6.5
163.06017	13.3
183.82120	1.0
189.73920	1.0
192.57031	1.0
249.25809	2.1
267.26797	22.2
285.27939	3.7
341.30481	100.0
342.31067	1.7
359.27338	1.9
359.31528	26.5
462.80219	1.0
470.86841	2.8
471.36655	1.8
492.59552	0.9
621.57861	0.9
700.44812	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	699.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01870	1.1
55.05496	2.3
56.96558	1.3
57.03428	2.6
59.05001	1.4
61.02925	3.8
67.05498	7.1
69.03424	4.8
69.07063	3.2
70.06594	2.9
71.04987	2.2
71.60080	1.0
72.08124	1.1
73.02914	3.2
73.73109	0.7
79.05493	5.6
81.03417	5.2
81.07062	5.1
83.04973	1.9
83.08616	1.7
84.08106	1.0
85.02889	5.6
85.06513	0.9
86.09685	1.0
87.04486	0.9
91.03966	2.9
91.05482	3.1
91.63047	0.7
93.07048	5.2
95.04974	2.4
95.08617	2.5
97.02885	4.2
97.06533	3.6
97.10170	1.4
99.04463	1.3
101.02383	2.6
105.07037	3.5
107.04947	0.9
107.08577	3.9
109.02865	1.5
109.10149	1.8
119.08584	2.4
121.10133	2.5
123.59915	0.8
125.85197	0.8
127.03923	2.3
129.06987	1.7
131.08568	2.3
133.10147	3.3
133.30383	1.0
135.08110	0.7
135.11723	3.4
136.07584	1.1
137.05960	1.3
145.10106	1.5
149.09595	0.9
153.01869	3.8
157.10144	1.7
163.11130	1.1
175.11217	0.9
181.12254	1.6
193.12180	1.7
217.10410	0.8
221.11380	0.9
243.08446	2.4
267.16064	1.2
283.15088	3.2
301.07324	1.1
433.33102	1.5
439.19373	12.5
477.16299	1.1
495.16321	2.1
501.23175	8.4
511.11731	1.3
699.35614	100.0
700.36139	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	699.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01874	1.9
55.05500	3.4
56.96545	2.1
57.03415	2.7
60.81762	1.6
61.02926	2.2
62.02793	1.8
67.05495	10.4
69.03419	4.2
69.07070	5.7
70.06604	3.5
71.04977	1.5
71.59725	1.9
71.60207	2.4
73.02917	2.3
79.05482	6.6
81.03424	8.9
81.07040	7.4
83.08609	1.9
85.02891	7.8
91.05470	8.0
93.07033	8.4
94.06557	2.9
95.04958	3.9
95.08582	6.1
97.02885	5.0
97.06510	3.5
105.07025	9.1
107.08570	3.5
108.08111	9.5
109.02874	2.4
109.06487	3.0
109.10116	4.3
111.08097	1.6
117.07039	2.4
118.06553	1.8
119.08562	5.8
120.08132	3.0
121.10116	3.9
122.09660	2.9
123.08038	2.0
125.09610	2.0
127.03947	2.4
129.06978	1.8
131.08583	2.9
133.10121	3.3
136.07562	9.1
145.10110	2.5
148.07561	2.5
153.01831	4.5
164.07072	6.6
184.07616	2.2
186.09167	2.6
190.15262	1.6
197.10783	3.0
203.14272	2.0
207.09315	2.0
207.13611	1.8
211.08615	1.6
221.10767	1.9
223.08662	3.8
225.10187	4.4
229.14340	2.4
235.08620	2.1
236.09505	2.0
237.10178	5.8
239.11707	5.1
249.10188	5.8
251.11795	5.4
261.10239	3.5
263.11783	3.4
265.09634	2.1
265.13229	2.0
267.11273	2.8
267.15833	2.7
271.70645	2.0
277.09616	2.2
279.10977	2.3
291.11206	2.4
312.14780	2.8
327.13568	5.3
328.14307	4.6
328.18057	2.0
340.14346	5.3
341.15366	2.8
342.16006	7.3
352.14621	3.0
354.12241	3.4
354.16083	3.7
355.13080	3.2
356.17532	4.4
368.13852	5.2
368.17941	2.5
369.14355	3.2
370.15485	8.5
382.15405	3.9
383.16187	3.1
384.16980	9.4
385.17941	2.1
398.14841	5.5
412.16476	4.5
427.18594	2.1
430.17880	5.3
456.19070	4.4
458.17029	3.0
470.16119	2.4
472.18658	4.2
490.19705	5.1
495.16367	3.5
500.17953	10.1
511.11722	2.5
517.22321	2.5
532.20746	23.8
535.23291	8.7
553.24658	8.6
563.22925	4.5
576.19714	100.0
577.20276	5.4
581.23889	3.4
595.25281	10.6
605.24023	1.9
623.24915	5.7
639.24677	10.0
649.23138	3.5
667.23804	16.4
699.35052	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	697.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01865	0.9
55.05505	1.8
57.03421	1.3
61.02920	3.2
67.05497	3.0
69.03423	2.4
69.07059	1.2
70.06580	1.6
71.01345	0.6
71.04971	0.8
73.02902	2.2
79.05493	2.8
81.03413	6.1
81.07052	3.7
82.87837	0.4
83.04959	1.0
83.08615	1.8
84.08131	0.6
85.02904	6.8
85.06516	0.7
86.09705	0.5
91.03944	1.9
91.05478	3.6
93.07052	2.6
95.04973	2.7
95.08606	1.8
96.26768	0.4
97.02888	3.7
97.06541	1.4
97.10191	0.5
99.04461	1.0
101.02384	1.8
102.92400	0.4
105.07003	2.1
105.79030	0.4
107.04943	0.8
107.08588	1.3
108.08129	0.5
109.02908	0.8
109.06487	0.8
109.10154	1.5
111.04463	0.4
111.08096	0.9
115.03894	0.4
119.08615	2.2
120.08145	0.5
121.06476	0.4
121.10131	1.1
123.08065	0.7
127.03937	1.3
129.07001	1.2
131.08548	1.4
133.10138	1.6
135.08104	0.5
143.08685	0.4
147.11690	1.1
148.07652	0.6
149.09630	1.0
157.10178	1.5
163.11235	0.5
175.11229	1.6
182.66588	0.4
184.61717	0.4
193.12215	3.2
211.13345	1.3
243.08530	1.9
251.12508	3.1
267.15900	0.7
269.12677	0.8
283.06461	0.4
285.10049	0.5
307.15213	1.2
400.49420	0.4
403.75787	0.4
431.31390	0.5
436.88132	0.4
449.32458	0.7
469.20438	13.4
697.33960	100.0
698.34216	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	697.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02080	0.1
53.03938	0.6
55.01864	0.5
55.05511	1.3
56.96569	0.2
57.03436	2.0
61.02924	4.6
61.67152	0.1
62.47395	0.2
65.03925	0.3
67.05502	2.4
67.61998	0.2
69.03423	3.2
69.07065	0.8
70.06581	0.7
70.66953	0.2
70.67310	0.5
71.01366	0.2
71.04979	1.1
73.02914	3.3
79.05489	2.7
81.03414	5.3
81.07050	3.2
82.03779	0.1
83.04977	1.3
83.08611	1.5
84.08133	0.1
85.02902	7.0
85.06559	0.3
86.09698	0.3
87.04459	0.4
91.03951	3.0
91.04527	0.2
91.05475	4.1
93.07041	2.2
95.04963	2.7
95.08612	1.3
97.02891	4.3
97.06537	0.6
97.10153	0.2
99.04459	0.6
99.08066	0.2
101.02366	1.8
103.03944	0.4
103.05447	0.2
105.07034	2.6
107.04945	0.6
107.08602	0.8
108.30988	0.1
109.02882	0.9
109.06533	0.5
109.10156	0.5
111.04436	0.3
111.08070	0.8
113.05991	0.4
115.03931	0.3
115.05470	0.2
116.28511	0.1
117.07046	0.2
119.04962	0.2
119.08582	2.3
120.08176	0.2
121.06528	0.3
121.10113	1.0
123.08041	0.7
123.11698	0.3
127.03921	1.5
127.07639	0.2
129.06998	1.2
129.51886	0.2
131.08542	1.5
133.06506	0.2
133.10135	1.8
135.08086	0.2
135.11667	0.2
136.07690	0.2
137.05959	0.3
137.09622	0.3
141.07019	0.1
142.07782	0.2
145.05000	0.3
145.10136	0.3
147.08034	0.2
147.11668	1.4
148.12030	0.2
149.09636	1.0
152.05685	0.3
157.10121	1.6
163.04086	0.1
163.11182	0.4
165.09116	0.3
165.12772	0.4
175.11165	1.6
185.04166	0.7
191.58047	0.1
193.12224	2.7
203.05399	0.3
211.13219	1.2
243.08397	2.7
251.12576	2.0
267.09079	0.2
269.12384	0.6
285.10129	0.4
285.16962	0.4
307.15240	0.8
391.65421	0.2
413.34393	0.3
469.20453	13.4
470.21054	0.4
532.41003	0.2
535.28693	0.2
593.58234	0.2
697.33972	100.0
698.34320	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	695.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82629	0.6
53.03938	0.6
55.05510	2.1
57.03422	1.4
61.02917	3.4
67.05497	5.1
68.05816	0.7
69.03417	2.5
69.07071	1.6
70.03003	0.6
70.06588	2.0
70.55789	1.3
70.56170	1.3
71.04987	1.9
71.10754	0.7
72.08150	2.2
73.02910	2.7
79.05488	4.9
81.03407	4.7
81.07049	4.4
82.03717	0.7
83.04990	1.8
83.08620	1.3
84.04508	1.0
85.02897	5.2
85.06583	0.7
86.09708	1.8
91.03944	2.0
91.05472	4.6
93.07045	4.0
95.04956	3.2
95.08601	3.4
97.02878	3.5
97.06528	1.7
101.02369	1.3
105.07025	3.4
105.61873	0.7
107.04955	1.4
107.08556	3.9
109.02912	1.0
109.06580	1.3
109.10146	2.5
111.04405	1.0
111.08072	1.5
117.07022	1.3
119.08578	2.5
121.10148	2.0
127.03931	1.4
129.07025	1.0
130.05054	0.7
131.08574	1.0
133.09052	0.5
133.10156	2.0
135.11703	3.2
137.06139	0.7
137.09592	0.9
145.10121	2.4
147.07706	0.9
147.11708	1.4
163.11121	4.6
165.09142	0.8
175.11218	1.5
181.12216	1.3
184.07323	0.8
193.12294	2.1
203.31911	0.6
211.13248	1.6
227.12787	3.1
243.08469	2.1
249.10919	5.6
251.12579	2.7
269.12607	0.9
305.13596	1.0
307.15100	1.2
312.13239	0.7
439.26761	1.3
440.27460	1.7
454.28650	0.6
466.29010	1.1
467.18811	8.9
469.20523	11.8
498.31448	1.6
695.32391	100.0
696.33020	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	695.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12662	0.4
53.03936	0.8
55.01857	0.5
55.05495	2.1
56.32001	0.6
57.03419	1.6
61.02928	3.6
67.05500	3.3
69.03431	2.3
69.07054	1.3
70.06577	1.7
71.04986	1.0
72.08154	1.3
73.02915	2.9
76.63065	0.4
79.05494	3.3
81.03412	4.5
81.07061	3.6
83.04967	1.3
83.08605	1.7
84.04513	0.5
85.02900	5.4
89.64622	0.4
91.03948	2.0
91.05484	3.8
93.07036	3.4
95.04960	1.8
95.08595	2.6
95.09083	0.4
97.02888	3.5
97.06536	1.2
97.68867	0.4
99.04438	0.6
101.02357	1.6
105.07040	2.3
107.04955	0.8
107.08579	1.7
109.02915	0.9
109.06521	0.5
109.10145	1.2
111.04395	0.6
111.08082	1.0
117.06953	0.7
119.08590	2.0
121.06518	1.0
121.10157	2.2
123.08078	0.5
125.05946	0.6
127.03901	1.3
127.65326	0.4
129.06990	0.9
131.08522	1.1
133.10115	1.7
135.11693	2.7
137.05887	0.4
137.09599	0.6
142.07796	0.5
145.10139	2.0
147.11685	0.8
154.68459	0.5
157.10118	1.0
163.03842	0.4
163.11150	3.2
175.11247	0.7
177.09097	0.4
185.04228	0.6
193.12216	1.0
211.13203	0.7
219.09944	0.6
227.12827	2.8
229.68188	0.7
243.08426	2.8
249.10957	7.5
251.12566	0.8
285.10114	0.6
305.13757	1.6
467.18961	7.9
469.20410	10.0
480.27246	0.6
533.27423	0.7
695.32324	100.0
696.32678	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	695.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.6
67.05460	0.2
69.07034	0.5
70.06582	1.2
71.04960	0.2
72.08108	0.4
74.06048	0.3
80.04967	0.2
81.03392	0.3
84.04410	0.2
84.08091	0.6
86.09669	0.6
91.05453	0.4
94.06535	0.5
95.04929	0.7
97.06467	0.2
98.06007	0.3
108.04475	3.6
108.08105	0.3
110.07137	0.4
112.07600	0.2
120.08039	0.7
122.05990	1.1
124.07522	0.3
129.10289	0.4
136.07594	1.9
137.05888	0.2
138.05522	1.0
140.07072	1.7
142.08606	0.3
145.07552	0.3
146.06000	2.0
147.06720	0.2
148.03915	0.4
148.07565	1.4
150.05466	0.9
164.07030	0.9
166.05016	1.1
168.06560	4.4
174.05466	1.3
177.05508	0.2
194.09599	0.3
196.11293	0.5
197.10689	0.3
198.07593	0.3
199.08647	1.9
201.10152	0.3
204.06467	0.6
206.08159	1.7
208.07471	0.3
209.08337	0.2
210.09288	0.4
211.06635	0.4
211.08646	6.6
211.11861	0.9
212.07442	0.3
212.09258	1.7
213.10194	2.1
213.13741	0.2
221.10776	1.0
222.09090	1.5
222.11272	0.4
223.08472	1.0
223.12288	0.8
224.07375	0.3
224.10968	2.0
225.10199	6.0
226.07320	0.9
226.10747	1.1
227.08089	2.2
227.11751	0.5
228.09036	0.3
235.08539	0.2
237.10185	0.4
238.10893	0.7
239.07997	0.7
239.11781	9.4
240.08696	1.2
240.12537	0.8
241.09708	2.6
241.13408	1.2
242.10524	1.5
243.11047	0.3
249.10222	1.0
250.08624	1.2
251.08153	1.4
251.11755	0.4
252.08612	1.7
253.09689	6.0
254.08038	0.3
254.10464	1.0
255.11258	0.9
256.11954	0.3
257.12881	1.1
259.14420	0.3
266.10187	0.2
267.07831	0.7
267.11273	12.9
268.09390	0.5
268.12000	0.6
269.09201	0.5
269.12796	1.9
270.10208	0.3
271.10870	0.3
273.12460	0.3
277.09705	0.3
278.08072	0.5
279.11197	0.3
280.08417	0.5
281.09167	0.8
283.10645	0.6
284.11551	1.1
285.09457	0.2
285.12384	1.4
287.13818	0.7
295.10748	7.0
295.14145	0.3
296.08951	0.3
297.12286	1.3
298.10342	0.3
299.10397	0.5
301.11810	0.4
303.13303	0.4
305.14877	2.2
313.11795	39.9
314.12241	1.3
315.13156	0.5
323.10315	1.7
327.13293	0.4
338.75049	0.2
341.11307	15.3
342.12051	2.9
343.12512	0.2
345.14807	0.2
355.12851	2.0
356.11032	0.2
359.12396	5.7
373.13919	100.0
374.14273	2.2
375.15219	0.5
390.13486	0.3
391.14166	0.3
411.19986	0.2
601.26416	0.4
627.24261	0.6
627.55383	0.2
645.25458	2.0
659.27069	1.2
663.25964	1.1
677.28021	0.4
695.27448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1803
Annotation	Isoscutellarein 7-(6'''-acetylallosyl-(1->2)-6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.32714	0.3
53.03932	1.5
55.01851	0.6
55.05491	0.5
57.03418	1.5
59.06065	0.4
61.02923	3.5
67.05511	0.6
69.03071	0.8
69.03423	8.4
70.06590	2.5
71.01331	0.6
71.04974	1.5
71.30415	0.9
72.08121	0.5
73.02912	5.9
75.83100	0.4
81.03406	8.2
83.01370	0.5
83.04948	0.4
84.04454	0.4
84.08131	1.0
85.02895	13.3
86.09697	1.2
87.04443	0.4
91.05453	0.6
95.04967	0.7
97.02882	5.3
99.04453	4.1
103.03922	1.4
105.06982	0.4
107.04986	0.4
109.02873	6.5
110.06013	0.4
111.00806	0.6
111.04407	0.4
115.03912	1.4
115.33879	0.4
121.02851	4.3
123.08235	0.4
127.03900	15.1
133.02853	0.7
133.04973	4.1
137.02316	0.6
145.04950	5.6
147.04366	0.6
153.01822	2.3
157.06528	0.4
165.01820	1.8
169.05077	0.5
169.34601	0.4
183.02927	0.9
187.06003	14.6
187.07678	0.9
194.43349	0.4
205.07048	12.4
213.05463	0.9
241.04887	0.6
258.05096	0.6
269.04633	0.5
283.05966	0.6
287.05469	100.0
288.05682	2.2
299.05493	2.9
311.05429	1.5
325.06955	1.1
329.06522	4.4
339.08804	0.8
353.06558	2.4
377.06583	0.7
391.12354	1.1
395.07382	3.7
413.08728	0.4
455.09802	0.7
473.11038	2.1
473.16434	0.4
491.12006	3.1
567.63397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
54.01616	1.6
55.05511	11.2
56.70488	1.9
57.03421	8.0
57.07069	5.0
61.02640	2.5
61.02923	35.9
67.05500	69.9
69.03416	5.6
69.07063	13.3
71.34384	4.7
73.02906	14.1
79.05493	37.9
81.03410	3.9
81.06573	3.6
81.07053	72.5
83.08607	7.9
85.02416	3.3
85.02904	38.3
85.03416	2.6
85.06537	4.1
91.03400	2.5
91.03951	34.3
91.05469	20.8
91.37238	1.9
93.07035	53.6
95.04948	5.1
95.08598	63.2
96.23831	1.8
97.02887	17.2
97.06528	4.1
97.10139	3.9
99.04421	2.5
99.08062	2.3
105.07023	16.7
106.07250	1.9
107.08597	31.1
109.10140	35.2
110.73325	1.7
111.08054	3.7
113.09643	2.5
115.03883	3.2
117.07007	8.7
119.08578	15.1
121.10139	35.6
122.52576	2.0
123.08059	2.6
123.11706	19.2
125.09561	2.6
127.03876	11.4
131.08560	17.2
133.10118	12.5
135.11670	25.4
137.13219	8.1
139.11090	2.4
145.04974	15.8
145.10110	15.1
147.11642	11.7
149.13240	20.6
151.11172	2.0
159.11646	13.1
161.13228	11.5
163.05998	22.8
163.11192	2.0
163.14793	17.9
165.12637	3.5
168.65025	1.9
173.13234	14.0
175.14825	3.8
177.12801	2.8
177.16365	6.4
179.14388	4.3
187.14804	10.9
201.16270	2.9
205.15819	3.3
209.08257	2.0
219.17580	2.0
233.22601	3.0
243.21060	35.3
261.22116	100.0
263.23755	2.3
279.23114	4.6
335.25809	36.8
346.70935	2.0
353.26840	57.1
365.93765	1.9
497.30960	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	691.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01863	1.0
55.05505	2.2
57.03436	2.9
57.07067	0.8
61.02919	5.7
64.79922	0.4
67.05499	10.1
68.61639	0.4
69.03426	4.2
69.07063	2.8
71.01353	0.8
71.04991	0.8
71.08627	0.4
73.02909	4.2
79.05469	3.8
81.03406	3.0
81.07042	5.1
83.08588	2.1
85.02901	5.5
86.09710	0.6
89.04250	1.7
91.03948	3.2
91.05466	2.9
93.07043	4.4
95.04976	0.6
95.08594	4.2
97.02885	4.8
97.06522	0.5
97.10173	0.9
98.98458	1.5
99.04479	0.9
101.02377	1.8
101.48012	0.4
103.03975	0.4
105.07025	2.5
107.04961	0.5
107.08567	2.1
108.79343	0.4
109.02898	1.2
109.10142	4.9
111.04422	0.5
117.06982	0.9
119.08546	2.0
121.10148	2.0
123.11807	0.4
124.99997	3.4
127.03926	1.4
131.08553	1.3
133.10168	1.0
135.11703	1.9
145.04884	0.4
145.10106	0.9
147.11671	0.6
149.13284	0.6
161.13263	0.5
163.11206	0.6
166.82213	0.4
173.11723	1.3
173.13200	0.4
175.11145	0.5
181.12311	0.5
184.07329	3.0
184.42241	0.4
185.04131	0.6
185.07747	0.5
186.07794	0.6
187.01933	1.0
209.11734	0.5
211.13332	0.5
227.12791	0.9
229.14392	0.7
243.08456	1.8
283.15417	1.0
311.25903	0.8
315.97336	0.5
335.26083	0.7
389.23041	0.4
413.17758	5.0
519.29279	9.4
519.36755	1.9
529.38605	0.9
691.40204	100.0
692.40521	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	692.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01870	3.7
55.05505	17.6
57.03429	15.2
61.02914	3.9
65.03917	1.7
67.05494	26.2
69.03418	6.8
69.07062	7.7
70.06582	1.2
71.04981	6.1
71.11750	1.1
71.12088	0.9
72.22247	0.9
73.02916	1.5
74.06073	1.0
79.05486	27.2
81.03409	85.3
81.07045	33.6
82.03723	1.0
83.04971	19.1
83.08133	1.9
83.08610	28.3
84.08138	1.1
85.02895	37.3
85.06518	3.7
86.09690	2.5
87.04440	1.1
91.03941	1.4
91.05470	36.2
93.07032	20.5
95.04957	35.5
95.08600	12.3
97.02875	6.1
97.06520	5.8
97.10154	4.5
99.08070	1.5
103.05468	1.0
105.07017	28.6
107.04954	9.9
107.08576	9.8
109.06493	5.0
109.10159	3.9
111.04444	3.4
111.08064	13.7
113.06010	3.3
115.05426	1.9
115.19306	0.8
116.10777	1.3
117.07009	1.9
119.08574	22.3
119.09363	0.8
121.06511	2.9
121.10125	13.3
123.08028	4.1
123.11688	2.9
125.00023	1.7
125.09682	1.5
127.03905	2.0
127.07562	1.5
129.07005	14.0
131.08557	16.9
133.06493	4.5
133.10123	13.6
135.08058	1.2
137.09612	4.0
142.07779	2.7
145.10117	1.8
147.08061	4.6
147.11670	19.3
149.09604	9.1
151.11263	1.4
157.10110	21.1
163.11243	1.5
165.09122	0.8
165.12750	5.1
175.11157	20.8
184.07298	6.8
189.11206	1.1
193.12227	62.4
211.13263	85.9
214.18018	4.3
215.18361	2.2
229.14317	1.9
267.15872	36.5
285.16925	81.4
286.17181	1.5
367.22659	3.3
385.23663	3.8
403.24734	1.6
459.27374	30.5
477.28448	36.2
489.12039	2.0
495.29477	100.0
496.29660	2.4
639.33173	1.4
692.34509	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	691.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01867	1.2
55.05510	3.6
56.93247	0.5
57.03437	2.1
57.07068	0.7
61.02920	4.7
62.55247	0.5
63.06931	0.5
64.58618	0.5
65.03935	0.7
67.05497	12.8
69.03419	3.1
69.07066	3.1
71.04982	1.3
71.08623	1.1
71.60529	0.6
71.60929	0.7
73.02907	3.1
74.01917	1.2
76.39318	0.6
79.05482	5.7
81.03419	5.5
81.07049	7.9
82.07496	0.5
83.04984	1.2
83.08594	3.2
85.02898	5.4
86.09707	0.7
89.04252	8.7
91.03951	3.7
91.05463	4.3
93.07038	5.1
95.04965	1.8
95.08596	5.5
95.46299	0.5
97.02894	5.1
97.06538	0.6
97.10198	0.7
98.98470	2.6
99.04475	0.9
101.02386	1.4
101.08113	0.6
105.07052	2.8
107.08575	3.1
109.02888	1.2
109.10150	7.2
111.04480	0.7
111.08089	0.8
117.07047	1.1
119.08601	2.4
121.10146	2.3
123.11691	1.0
124.99994	6.7
125.09597	0.8
127.03920	1.8
129.07005	1.0
131.08557	1.7
133.10118	1.7
135.11693	1.9
143.08612	0.9
145.10109	1.2
157.10168	0.8
159.11707	1.4
163.11212	1.7
173.04419	0.7
173.11732	1.7
184.07382	2.1
185.04308	0.7
187.01872	8.0
193.12325	0.8
226.32372	0.6
227.12860	0.9
229.14198	0.9
232.12553	0.6
243.08412	2.2
283.15427	1.8
311.25906	1.1
413.17819	9.7
467.56244	0.7
505.38794	1.2
519.29224	4.7
519.36957	4.6
529.38922	2.6
547.39923	0.7
691.40204	100.0
692.40936	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	690.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
54.63303	0.7
55.01856	1.5
55.05504	5.5
56.05025	0.9
57.03437	2.6
61.02915	2.5
67.05504	9.6
68.99776	0.8
69.03421	11.0
69.07050	4.8
70.06575	4.6
70.78629	1.8
71.04988	3.4
71.07368	1.3
71.08623	5.1
72.08150	5.6
73.02906	2.2
79.05480	8.7
81.02971	1.0
81.03413	12.0
81.07048	16.7
83.04977	3.1
83.08611	3.3
84.04483	1.1
84.08131	2.7
85.02423	0.9
85.02904	12.7
85.06507	1.6
86.06059	41.3
86.09686	1.5
87.00829	4.4
87.04460	1.2
89.49372	0.7
91.03941	1.1
91.05473	10.6
93.07018	6.3
95.04963	5.0
95.08591	5.0
96.08126	8.1
97.02895	7.3
97.06531	4.0
98.06056	1.8
98.09684	15.6
99.04452	4.1
99.08080	6.1
99.13923	0.7
101.02371	1.0
101.06004	0.7
105.01863	1.7
105.07021	9.3
107.08586	5.7
108.08113	4.0
109.02883	7.1
109.06538	3.5
109.10156	2.3
110.09649	1.5
111.08064	1.0
112.07603	1.2
113.06010	0.7
114.09164	2.2
115.03937	0.7
116.10721	100.0
117.11089	1.2
119.08573	8.3
120.08111	1.0
121.10123	4.4
122.09649	2.4
123.08070	1.3
123.11710	5.1
124.07566	3.0
127.03901	12.3
127.07516	1.4
129.06998	4.0
131.00154	0.7
131.08574	2.9
133.10104	4.4
135.11697	1.5
137.09708	0.8
138.09120	1.1
139.07414	0.7
140.10667	1.2
142.08629	6.0
142.12251	2.5
143.10658	8.7
145.04959	1.8
145.10080	1.7
147.02937	1.0
147.11676	17.6
149.09622	1.6
152.10722	1.3
154.15807	0.8
157.10115	7.0
159.02895	1.2
163.11232	1.3
165.12735	4.6
175.11195	8.0
176.49828	0.7
184.07265	0.9
193.12248	5.1
196.16888	1.7
211.13297	1.8
214.17990	22.0
214.19934	1.3
215.18303	1.7
229.14317	5.1
231.05060	0.9
255.15901	1.8
267.09052	3.0
267.15848	2.7
283.06259	1.2
283.15341	0.8
285.10101	4.3
285.16946	1.1
286.10583	1.0
290.21201	1.0
308.22137	8.9
309.22357	0.8
326.23236	42.4
327.23358	1.1
344.24271	91.8
345.24615	2.1
347.13446	2.6
364.16461	2.0
373.29602	0.7
389.18320	0.9
399.10568	1.1
406.29697	1.2
424.30557	13.2
429.20956	1.3
442.31604	31.4
460.27908	1.5
462.23172	1.5
475.27124	1.3
493.27747	1.6
506.29303	1.1
548.30591	3.6
574.28577	3.4
592.29578	44.5
628.35541	1.4
638.76678	0.7
646.37476	0.9
672.34979	2.1
690.37201	8.0
691.23584	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	690.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93651	1.1
52.34501	1.1
53.03942	2.0
55.01868	2.2
55.05508	5.8
56.05017	1.9
57.03428	3.4
58.04858	1.1
61.02908	3.2
67.05492	14.6
69.03423	8.2
69.07055	5.1
70.06149	2.1
70.06576	11.2
71.04976	4.2
71.08616	6.1
72.08147	6.4
73.02901	2.1
79.05477	9.8
81.03411	12.3
81.07046	16.6
83.04977	4.2
83.08624	1.7
84.08141	3.8
85.02906	13.8
86.06058	50.1
86.09673	2.5
87.00819	2.7
91.03922	2.3
91.05475	13.8
93.07030	10.9
95.04958	5.5
95.08611	6.8
96.08132	7.2
97.02878	6.9
97.06524	8.6
97.10166	2.0
98.06062	2.4
98.09676	14.0
99.04438	4.1
99.08080	6.6
105.01801	1.4
105.07018	9.4
107.04939	2.8
107.08573	7.6
107.56951	1.2
108.08115	5.1
109.02853	6.6
109.06500	4.3
109.10145	3.5
111.04432	2.4
111.08047	2.0
113.06017	3.3
114.09158	2.2
115.05464	1.6
116.10722	87.7
117.07010	2.7
119.08581	11.8
120.08095	1.7
121.06477	2.6
121.10153	5.1
122.09679	3.5
123.08073	1.8
123.11689	2.3
124.07574	4.3
125.05981	1.9
127.03913	11.5
129.06979	5.1
129.10324	1.3
131.08565	4.5
133.10138	8.5
135.08072	2.1
135.11674	1.7
137.05943	1.7
137.09601	1.5
140.10602	1.7
142.08655	8.6
142.12302	2.3
143.10661	8.3
145.04953	2.6
145.10094	3.9
147.04327	1.2
147.08057	1.7
147.11658	18.6
149.09595	3.7
154.15958	1.3
157.10129	10.9
159.11702	1.3
163.11153	3.2
165.12706	3.5
175.11200	10.6
193.12231	8.2
196.16862	1.6
205.12907	1.3
207.13742	1.8
211.13182	1.8
214.17987	17.9
227.12828	1.9
229.14224	1.5
231.05031	2.0
243.83627	1.6
255.15961	1.6
267.15869	2.5
283.15390	3.6
285.17041	1.9
308.22195	10.7
326.19315	2.4
326.23193	45.4
344.24274	100.0
345.24686	2.9
347.13559	2.7
399.10941	1.4
424.30634	13.2
442.31595	37.5
475.26880	5.4
493.28070	3.6
574.28217	2.8
592.29565	28.8
672.35773	3.0
690.34973	7.3
691.31952	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	689.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
53.03946	11.2
55.01866	7.4
55.05510	28.9
57.03428	14.3
57.07076	3.4
59.05018	1.8
61.02908	2.0
65.03939	6.3
67.05499	77.4
69.03425	35.2
69.07062	20.3
70.03752	1.7
71.01357	1.7
71.04996	10.0
73.02910	2.4
79.05488	68.4
81.03413	100.0
81.07052	78.2
83.04977	25.3
83.08614	23.9
85.02899	19.8
85.06540	3.7
90.92105	1.5
91.05474	66.2
93.07037	71.7
93.07623	3.6
94.07384	1.9
94.47004	2.1
95.04964	30.9
95.08604	52.5
97.02885	28.7
97.06528	11.2
97.10178	6.4
98.21523	6.1
99.04456	6.1
99.08112	2.7
103.05499	2.5
105.07023	50.9
105.18346	1.8
106.77325	1.6
107.04948	8.8
107.08588	39.6
107.30038	1.5
109.02879	17.1
109.06537	8.2
109.10150	25.4
111.04436	10.6
111.08066	8.4
115.05470	3.8
117.07005	17.9
119.04922	2.6
119.08575	35.7
121.06538	5.0
121.10137	33.5
123.04399	1.9
123.08115	5.1
123.11709	8.3
125.09645	4.2
127.03922	11.1
128.06221	2.9
128.58540	1.6
129.05467	5.7
129.06990	16.6
131.08549	33.7
133.06474	6.5
133.10121	22.9
135.08102	4.3
135.11664	15.9
137.09589	3.2
141.06992	3.4
142.07796	5.1
143.08542	10.4
145.06468	4.6
145.10123	20.5
147.08086	7.5
147.11676	28.4
149.09619	6.2
149.13280	7.2
151.11172	1.8
153.12775	3.2
155.08582	5.6
157.10123	18.3
159.08099	2.6
159.11693	12.1
161.09663	2.5
161.13278	6.9
163.11214	7.5
163.14886	2.6
165.12788	7.4
167.08612	3.3
169.10135	6.5
171.08032	3.6
171.11678	9.0
173.04491	7.1
173.09612	2.0
173.13208	9.1
175.11172	9.9
175.14815	2.8
177.12776	2.9
179.14328	2.6
179.19478	1.6
181.10185	3.9
181.12227	2.7
183.11674	7.5
184.07355	2.6
185.13251	9.8
187.11241	3.2
187.14824	3.8
189.11267	1.9
193.10446	2.7
193.12222	34.0
193.13847	2.9
195.11736	3.2
197.13297	4.9
199.14789	3.8
201.16351	2.2
207.11731	1.9
209.13309	2.3
211.13257	39.3
213.16570	1.8
217.12314	2.0
221.13354	2.9
221.15434	1.8
227.12816	3.0
229.14413	2.7
230.09227	2.6
233.96939	2.0
243.21092	2.5
259.20621	5.0
261.22244	5.1
267.15915	9.4
269.17429	2.1
277.21701	3.6
285.17133	7.7
291.19632	2.7
301.21573	3.7
315.23154	2.6
317.24933	2.7
327.23145	2.2
333.24387	2.7
335.25833	13.3
337.16666	4.5
341.25244	1.9
351.23215	2.2
355.17560	6.9
367.22897	2.3
369.24313	7.8
374.53461	2.1
385.70392	2.1
387.25415	4.4
411.20175	3.8
425.26801	2.0
435.32666	3.1
443.27969	2.8
453.33582	2.6
461.28860	3.1
482.64294	1.7
509.35651	2.1
516.63397	1.8
527.37256	33.2
528.37744	2.2
545.38361	9.3
587.36438	2.1
611.38831	1.9
653.40607	6.3
671.41052	9.5
689.42493	67.1
690.43268	3.2
697.06396	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	688.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	8.3
55.01858	5.6
55.05505	26.0
55.30602	4.9
57.03417	14.3
61.02913	10.3
65.03940	4.1
67.05491	57.6
69.03418	12.3
69.07046	24.3
70.95835	4.4
71.04981	5.9
71.60410	5.4
79.05482	75.2
81.03407	60.8
81.07043	66.5
83.04971	21.3
83.08604	25.6
83.11784	4.2
85.02880	28.8
85.06561	4.6
85.89993	3.8
89.11272	4.2
91.03954	4.2
91.05470	69.6
92.62616	5.7
93.07027	56.2
95.04961	43.7
95.08598	36.4
97.02891	13.7
97.06519	11.6
97.10123	5.7
105.07021	54.8
107.04956	13.0
107.08605	27.2
109.06513	11.6
109.10156	15.9
111.08061	11.9
117.07029	7.6
119.08550	37.0
121.10125	12.9
123.08083	6.4
125.09588	8.0
127.03777	5.9
129.06966	21.8
129.12741	8.7
131.08565	8.0
133.10083	17.6
135.11699	8.6
137.09604	5.0
143.08481	10.7
145.10117	12.0
147.08009	8.6
147.11665	44.6
149.02325	4.6
149.09610	7.4
157.10086	12.3
161.09644	7.7
161.13219	12.1
171.11647	23.9
175.11194	9.4
189.12671	7.9
193.12222	25.0
207.13776	19.8
211.13300	40.7
243.09158	6.2
267.15979	29.8
280.74408	4.7
281.17429	100.0
285.10037	11.5
285.16925	27.2
422.35162	5.9
423.21329	5.7
473.28940	83.9
477.53543	4.7
491.30121	80.2
502.60245	5.8
688.40259	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	688.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01871	3.2
55.05505	4.8
56.05028	2.1
57.03429	2.4
61.02918	2.7
65.03881	1.0
67.05499	11.7
69.03426	12.7
69.07066	3.8
70.06595	6.2
70.17654	1.3
70.17950	4.9
71.04994	3.2
71.07381	1.6
71.08626	10.0
72.08140	4.5
73.02911	3.0
79.05496	12.6
81.03413	14.3
81.07053	14.8
83.04968	3.8
83.08601	1.8
84.08125	3.4
85.02896	15.6
85.06509	2.4
86.06062	54.7
86.09701	2.0
87.00808	4.0
89.20300	1.0
91.03959	2.0
91.05469	10.5
93.07035	10.1
95.04963	7.1
95.08602	4.7
96.08118	5.9
97.02882	8.9
97.06516	6.1
98.06054	1.6
98.09684	16.0
98.20861	1.1
98.99877	0.9
99.04426	5.6
99.08092	10.8
100.07626	1.3
101.02370	2.0
102.16343	1.0
103.03940	1.3
105.01870	1.4
105.07030	6.3
106.07343	1.1
107.04956	10.0
107.08604	6.9
108.08121	4.0
109.02864	8.3
109.06512	2.5
109.10145	2.6
110.09708	1.4
111.04462	1.2
111.08127	1.0
112.07593	1.2
114.09164	1.3
116.10723	88.5
117.07014	5.3
119.08575	5.7
120.08117	2.5
121.06501	2.5
121.10147	7.6
122.05975	1.1
122.09625	1.8
123.08130	1.6
124.07584	4.7
125.05982	2.1
125.09624	1.7
127.03918	15.2
127.07580	2.0
129.01874	2.0
129.07002	2.7
129.10219	1.4
131.04948	1.7
131.08556	9.6
133.10132	2.1
135.08014	2.2
135.11717	3.0
136.07565	1.4
137.09612	1.2
142.08623	7.8
142.12280	3.7
143.08620	1.5
143.10661	5.9
145.04970	2.5
145.06479	2.0
145.10109	13.8
147.08022	1.5
147.11708	2.8
148.07539	2.4
149.09634	3.7
152.10690	2.5
155.08563	8.4
155.24934	1.0
163.03920	1.3
163.11183	6.8
165.09082	1.6
171.10106	1.5
173.09607	12.5
175.11215	1.2
187.05989	1.6
191.10649	18.7
193.12247	1.8
196.17014	2.4
201.30161	1.2
209.11778	2.6
212.16490	2.9
213.03931	2.4
214.18002	27.6
214.19955	2.0
229.14268	1.1
231.04938	2.6
267.16022	1.9
301.11594	1.3
303.14102	1.5
306.20676	2.6
324.21701	15.6
326.23169	2.2
328.13858	1.2
329.12314	2.6
342.22723	100.0
347.13403	3.2
421.10260	1.3
422.29102	9.2
440.30026	43.7
449.18906	1.3
462.23318	6.9
491.26132	1.4
504.27829	3.1
545.39624	1.4
546.29126	5.7
572.27106	2.5
590.28052	45.9
591.27930	1.3
602.35034	1.6
644.36694	1.9
688.35663	15.2
689.33081	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	688.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01875	3.1
55.05507	4.3
57.03425	2.1
61.02921	3.1
65.03946	1.3
67.05498	10.0
68.99799	1.3
69.03429	8.1
69.07064	3.1
69.60152	4.4
69.60574	3.3
70.06592	6.5
71.04963	2.9
71.08632	8.9
72.08157	3.6
73.02928	3.2
79.05492	10.0
81.03408	12.1
81.07037	9.6
83.04998	1.8
83.08626	1.9
84.04522	1.2
84.08143	5.1
85.02898	11.4
86.06063	32.4
86.09706	2.5
87.00828	3.4
87.04465	1.5
91.05469	6.4
93.07038	6.5
95.04963	5.5
95.08608	3.8
96.08110	5.1
97.02885	4.9
97.06535	5.0
97.10195	1.6
98.06038	2.1
98.09708	8.1
99.04458	3.6
99.08091	5.6
105.07040	4.3
107.04950	7.4
107.08604	4.5
108.08143	3.4
109.02867	8.2
109.06511	1.2
109.10159	4.6
111.04460	1.5
114.09182	1.6
115.03969	1.0
116.10726	61.9
117.07031	2.9
118.64370	1.1
119.08587	3.0
120.08066	1.2
121.06499	1.5
121.10172	6.4
122.09665	2.1
123.04435	1.2
123.08102	1.7
124.07591	2.7
127.03922	13.6
127.07560	1.8
129.01860	1.8
129.07014	2.5
131.08577	5.6
133.10120	1.3
135.08096	2.2
135.11726	4.3
136.07623	1.1
137.05969	1.6
138.09189	1.2
138.30470	1.4
140.10680	1.9
142.08638	4.5
143.10695	4.0
145.05002	2.4
145.10104	10.0
147.08066	1.5
147.11705	1.9
149.09648	4.1
152.10667	1.2
154.15912	3.8
155.08527	5.6
160.25378	1.1
163.11183	5.6
165.09200	1.6
166.09756	1.1
166.15913	1.7
168.17535	1.4
171.10136	1.6
173.09596	8.0
178.15869	1.7
187.06027	1.4
191.10678	13.7
196.16995	8.7
209.11723	4.5
214.18016	100.0
224.16457	2.4
227.12811	2.5
231.05028	2.1
242.17374	1.4
267.15973	1.9
287.10278	2.7
294.10168	1.3
320.16980	1.3
324.21713	10.5
329.12106	1.9
339.09854	1.8
342.22745	59.6
347.13480	1.5
418.24301	2.1
422.29153	7.0
422.33948	1.5
440.30103	35.8
462.23337	30.2
508.32452	1.3
546.29004	3.7
572.26215	1.4
590.18573	1.8
590.28003	34.7
644.36530	2.7
688.35284	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	686.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01867	1.2
55.05503	12.2
55.05756	0.4
57.03432	13.1
57.07068	2.0
59.04990	4.2
59.74250	0.5
61.02916	4.3
65.03939	2.0
67.05496	97.9
68.05846	1.0
69.03424	2.1
69.07060	8.0
70.28706	0.5
70.74176	1.4
71.04984	3.5
71.08615	0.8
73.02909	1.0
79.05483	22.2
81.03401	1.6
81.07047	40.5
83.04993	0.9
83.08610	7.5
85.02896	4.6
85.06521	2.9
91.03957	1.5
91.05468	15.1
93.07030	27.9
95.04961	3.5
95.08596	30.8
97.02882	2.6
97.06528	1.7
97.10164	2.2
99.08078	1.5
103.43775	0.5
105.07021	7.2
107.08582	15.8
107.09282	1.0
107.56760	0.5
109.06509	1.4
109.10142	76.1
110.10482	1.1
111.08038	3.9
117.06990	3.4
119.08570	11.2
121.10123	11.5
123.08026	0.9
123.11668	3.6
125.09636	1.4
126.74737	0.6
129.77890	0.5
130.14226	0.6
131.08534	5.8
133.10121	5.3
135.11694	9.0
137.09602	3.2
137.13239	1.0
145.04880	0.9
145.10103	5.0
147.11665	4.1
149.13242	5.5
153.12718	0.7
155.10623	4.4
159.11673	3.8
161.13252	3.7
163.14789	2.7
173.11740	23.6
173.13246	3.1
175.14815	0.6
177.16373	0.8
187.14819	1.9
189.11176	1.7
191.69351	0.5
201.16292	0.6
227.12762	4.6
229.14323	100.0
230.14671	2.0
233.22682	1.3
243.21057	6.8
255.40331	0.6
261.22150	18.3
299.23572	0.9
317.24817	3.5
335.25751	84.1
336.26071	2.6
379.29803	1.1
379.71161	0.7
393.05899	0.6
397.31039	1.0
415.31857	1.0
471.34454	1.2
489.35718	65.2
490.35989	2.5
507.36633	2.5
582.60095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47065	0.6
53.03939	1.8
55.01859	0.6
55.05508	11.0
57.03430	11.3
57.07067	1.8
59.05004	3.7
61.02924	4.5
65.03938	1.3
67.05500	100.0
68.05828	0.9
69.03429	1.9
69.07064	8.2
70.04855	1.4
70.05268	1.6
71.04990	4.5
73.02895	1.2
79.05489	17.8
79.05959	0.9
81.03420	1.0
81.07053	33.3
83.04951	0.6
83.08616	8.4
85.02901	3.7
85.06523	2.9
91.03944	1.3
91.05474	11.5
93.07036	21.9
95.04943	0.9
95.08601	25.9
97.02866	2.0
97.06525	0.9
97.10146	1.7
98.20799	0.7
99.08100	1.2
105.07023	7.3
107.08593	13.3
109.06459	0.7
109.10148	73.3
110.10410	0.7
111.08062	3.4
117.07033	2.7
119.08578	9.1
121.10133	8.0
123.11655	3.4
125.09633	1.4
127.11197	0.6
131.08572	4.0
133.10118	5.0
135.11667	5.0
137.09625	2.7
137.13203	1.2
145.10130	4.1
147.11644	3.1
149.13225	4.7
155.10649	3.8
157.10060	0.5
159.11659	3.1
161.13232	2.6
163.14780	1.6
173.11752	23.2
173.13243	2.7
175.14798	1.1
177.16400	1.1
187.14745	1.4
189.11246	0.6
201.16362	0.6
227.12793	4.2
229.14334	77.2
230.14697	1.0
243.21071	4.3
261.22134	12.8
274.07477	0.6
317.24731	2.1
329.58118	0.5
335.25781	54.5
336.25998	1.2
336.66119	0.6
341.45621	0.5
379.30185	1.0
397.30502	0.6
415.32016	1.1
471.34055	1.0
489.35733	29.8
490.35956	1.0
507.36798	2.0
612.20081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.2
55.01863	4.5
55.05509	15.3
56.05029	1.8
57.03434	4.9
57.05793	1.0
58.06598	1.8
59.04984	1.0
60.04511	3.6
61.02924	5.0
64.20798	1.0
64.37715	1.0
65.03949	2.1
67.05502	17.7
68.05016	3.9
69.03413	3.9
69.07056	8.1
69.84523	4.4
70.06588	41.3
71.04990	2.1
72.08142	2.5
73.02888	2.5
79.05054	1.6
79.05489	20.6
80.05000	1.6
81.03410	37.6
81.05791	1.5
81.07050	14.1
82.06573	6.8
83.04955	5.0
83.07343	1.2
83.08624	9.7
84.04484	5.1
84.08144	6.5
85.02894	4.8
85.06534	1.2
86.06055	4.3
86.09702	3.8
91.03942	1.6
91.05474	16.2
93.07038	12.7
94.06560	28.5
95.04971	12.9
95.07333	2.8
95.08601	8.6
96.08123	4.5
97.02882	4.2
97.06533	3.7
97.10169	13.0
98.06022	4.7
98.21395	1.5
99.04458	1.4
103.05468	1.9
104.49138	1.1
105.07010	10.8
107.04944	5.7
107.07346	2.6
107.08575	8.8
108.08099	8.3
109.05238	3.8
109.06493	3.1
109.08905	1.2
109.10139	4.2
110.06055	5.6
110.09689	1.9
111.04400	1.7
111.08086	2.4
112.07604	2.0
115.05488	1.5
117.07000	4.0
119.08576	6.3
120.08089	8.4
121.02827	0.9
121.06490	3.6
121.08866	2.0
121.10126	3.8
122.09673	7.7
123.04401	1.2
123.06796	1.1
123.08046	3.6
123.11712	1.3
124.07578	3.3
125.09618	9.6
126.05537	2.1
126.09174	1.0
127.03936	2.1
129.06995	6.2
129.10190	1.3
131.08551	6.6
132.08078	1.8
133.06398	1.2
133.10121	4.8
134.05952	1.7
134.09671	4.7
135.08015	1.7
135.10448	1.1
135.11665	1.4
136.07562	6.4
137.05962	3.0
137.09596	1.6
142.07683	1.7
143.08559	1.4
145.06490	1.6
145.10094	3.7
147.08063	2.6
147.11702	4.9
148.07599	6.4
148.11192	1.5
149.08350	9.6
149.09628	4.2
150.09099	1.9
153.09100	1.6
155.08498	1.6
157.10141	5.9
159.11700	1.5
160.07581	2.9
162.09163	3.2
162.12724	1.5
163.03847	1.3
163.09894	1.8
163.11148	2.8
165.09122	1.6
166.08667	1.2
167.07219	1.2
173.09564	1.5
175.07576	1.5
175.11169	4.4
176.10840	1.1
176.14336	3.7
177.05530	1.2
177.15088	2.9
178.15927	1.3
181.09998	1.0
189.11200	4.1
193.12224	6.4
197.11719	2.8
204.13831	4.3
205.14557	7.9
206.15344	2.0
222.14859	18.5
227.12773	3.0
240.15900	9.0
243.11372	1.1
244.16978	1.6
252.08875	1.4
255.11298	1.4
262.18024	1.3
267.15897	14.8
296.18552	13.3
297.19464	1.5
314.19592	13.1
327.13510	2.1
332.20804	1.5
367.22318	1.4
396.25278	1.3
414.26425	1.4
419.24146	1.4
432.27478	1.6
459.27377	3.1
460.27597	1.0
470.29099	2.7
488.30060	51.0
489.30832	14.9
506.31119	100.0
507.31354	1.6
524.31830	5.4
668.36658	8.8
686.35358	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	683.1821
Annotation	Isorhamnetin 3-(6'''-acetylglucosyl)(1->3)-galactoside
Peak:m/z	Relative Intensity
50.60204	0.1
53.03949	0.6
55.01853	0.4
55.05510	0.2
56.96550	0.7
57.03434	1.1
61.02924	1.4
65.03929	0.2
67.05482	0.2
68.05072	0.1
69.03419	3.8
69.07072	0.2
70.06592	1.0
71.01336	0.2
71.04974	0.9
73.02909	1.9
74.41151	0.1
79.05476	0.2
81.03408	3.1
83.01324	0.3
83.04962	0.2
84.08139	0.3
85.02896	6.7
86.06049	0.2
86.09676	0.3
91.05476	1.0
92.02616	0.5
93.03391	0.6
93.07015	0.2
95.04961	4.8
96.11094	0.1
97.02881	2.3
97.06489	0.2
99.00839	0.2
99.04448	2.2
103.03933	0.4
105.07019	0.3
107.08569	0.3
109.02879	2.6
111.04413	0.1
115.03942	0.7
119.04944	1.8
121.02823	0.7
121.10120	0.2
126.03126	0.2
127.03906	5.8
133.04936	0.8
133.10124	0.5
135.04443	0.2
135.08081	0.3
136.07582	0.2
137.02415	0.2
137.05946	0.2
139.03865	0.7
145.04945	2.1
147.04395	5.9
147.11714	0.2
148.04736	0.2
151.03918	0.8
153.01807	5.1
153.09087	0.9
162.12656	0.1
163.03917	0.3
165.01839	0.5
165.05566	0.2
172.94353	0.2
177.05489	0.3
185.01149	0.2
187.05994	3.6
189.00687	0.1
190.95331	0.4
191.14259	0.3
191.88951	0.1
200.04791	0.1
201.05438	0.4
205.07069	1.3
209.15385	0.4
209.45493	0.1
213.04330	0.2
213.12199	0.2
217.04988	0.4
217.63506	0.2
218.05756	0.3
219.02933	0.2
221.01221	0.2
228.04160	0.7
229.04964	2.3
239.02263	0.5
239.09337	0.1
245.04393	0.7
246.05200	1.3
247.10507	0.2
256.03870	0.1
257.04486	1.9
260.03156	0.5
261.07541	0.2
265.11111	0.2
267.07019	0.1
273.03879	1.4
274.01669	0.2
274.04681	3.9
284.03101	0.4
285.03900	3.5
301.03134	0.2
302.04187	11.5
303.04620	0.2
315.05280	0.2
317.06522	100.0
318.06985	0.9
345.06714	0.4
346.99606	0.2
359.07428	0.4
363.07828	0.6
381.09015	0.2
383.07614	0.3
388.19675	0.2
395.06396	0.2
425.08633	0.4
431.19217	0.2
475.02319	1.7
479.11798	11.6
491.10559	0.4
493.03299	1.2
537.12897	0.5
593.24390	0.6
667.53406	0.2
683.15833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
55.05502	0.7
56.05027	0.3
56.96553	0.3
60.04528	0.5
61.02931	0.4
67.05503	0.7
69.03414	0.6
69.07063	0.6
69.43906	0.9
69.44324	1.9
70.06587	5.4
72.08124	1.4
79.05490	0.9
81.03420	1.2
81.07057	0.9
82.06611	0.3
84.04506	0.8
84.08150	1.9
85.02901	1.1
86.06048	0.4
86.09713	1.7
91.05470	0.5
93.07036	0.7
95.04968	0.7
96.08119	0.4
97.02892	1.0
97.06522	0.8
104.95863	0.3
105.07033	0.9
107.08654	0.4
109.02888	0.5
109.10191	0.4
110.07175	0.6
120.08118	0.4
121.02875	0.4
121.06528	0.3
127.03935	0.7
127.67540	0.3
128.07150	0.3
129.05496	0.4
129.10237	0.9
131.26935	0.3
133.10104	0.3
136.07573	0.8
137.05972	1.4
145.10153	0.4
147.04466	0.5
147.11632	0.6
154.08638	0.6
155.08167	0.4
161.05966	0.5
161.09657	0.4
163.03934	1.0
163.07574	0.5
164.07001	0.4
168.53540	0.3
168.99457	0.3
175.07504	0.3
177.05501	0.4
181.05067	0.4
187.07585	0.4
210.75252	0.3
215.07104	0.6
252.09532	0.8
259.07730	0.5
283.06430	0.9
285.12518	0.4
313.11807	0.7
341.11469	0.5
347.09589	1.3
357.18793	3.4
365.17661	0.3
373.13882	1.6
415.21518	0.5
487.21310	1.0
501.14404	0.4
501.23047	0.3
519.24121	29.1
520.24365	0.7
595.28394	0.4
621.27271	0.5
631.25610	0.4
649.26599	0.6
663.28607	0.5
681.29376	100.0
682.29749	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	682.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01865	0.7
55.05499	0.9
56.96556	0.8
57.15238	0.6
61.02932	0.9
63.80909	0.5
65.03934	1.3
65.88321	0.6
67.05492	1.8
69.03413	1.6
69.75411	3.0
70.06277	0.6
70.06593	5.2
71.04984	0.9
72.08144	1.5
74.06070	0.7
79.05473	1.5
81.03409	5.2
81.07050	1.7
83.04977	0.6
84.08131	2.4
85.02892	2.5
86.09703	3.1
89.03919	6.3
89.92332	0.5
91.05478	26.1
93.07035	8.1
95.04962	3.6
95.08593	1.3
96.65107	0.6
97.02880	1.4
97.06531	1.1
97.92393	0.6
103.05457	4.8
104.71667	0.6
105.07029	1.5
105.12788	0.7
107.08585	1.1
109.02882	1.3
109.10156	1.4
117.03374	15.3
119.04942	33.6
119.08594	1.3
120.08127	0.8
121.06499	37.3
121.10190	0.7
127.03917	0.8
129.10178	1.1
132.02051	1.0
133.10077	0.8
134.03584	1.0
135.04411	2.0
135.11702	0.9
136.05170	0.9
136.06180	0.8
136.07570	0.7
137.05899	0.9
137.09619	1.4
145.02841	48.7
147.04405	31.6
149.02367	1.5
149.05971	6.1
152.05656	1.9
157.03972	2.5
158.06096	0.6
160.01532	0.6
163.03903	1.7
164.04674	1.0
165.09123	1.4
175.03900	48.5
177.05461	93.7
179.07027	1.7
181.10011	0.5
186.05502	1.4
191.88142	0.7
192.04053	0.7
194.08115	0.7
207.06520	87.0
208.06964	0.9
230.15532	0.8
278.13779	0.6
314.13846	100.0
315.14151	1.0
344.15347	0.7
351.10876	3.9
369.11658	3.5
426.44580	0.6
541.71912	0.7
682.37042	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	679.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.7
55.05308	1.9
55.05513	25.4
57.03424	8.4
57.07074	11.3
60.09049	2.1
60.55339	1.9
61.02913	16.6
65.03923	3.3
67.05498	78.8
69.03421	5.6
69.07064	33.0
71.04983	3.4
71.08622	5.7
73.02903	6.1
76.91462	1.8
79.05472	24.3
81.03414	2.5
81.07050	100.0
83.04960	4.9
83.08611	21.0
85.02894	21.7
85.06559	2.4
85.10159	3.6
91.03941	18.9
91.05467	20.5
93.07040	24.7
95.04961	2.3
95.08598	75.9
97.02878	9.6
97.06508	7.0
97.10166	15.7
99.08091	2.9
105.07037	16.2
107.08589	18.5
109.02901	2.1
109.06499	4.2
109.10143	41.5
111.08063	4.6
111.11724	3.1
117.06982	3.7
119.08595	14.2
121.10126	21.1
123.08071	3.1
123.11700	23.2
125.09669	3.6
127.03930	5.8
131.08427	2.3
133.10124	18.9
135.11681	11.3
137.09641	2.1
137.13214	8.8
139.11165	2.2
141.12718	2.4
145.04959	8.8
145.10100	2.3
147.11684	14.9
149.13245	9.7
150.25894	1.8
151.14795	6.9
155.14268	3.6
159.11783	2.0
161.13240	13.7
163.06009	8.7
163.07281	2.1
163.14816	11.7
165.16370	8.7
175.14781	10.5
179.17940	8.9
189.16345	3.8
245.22636	58.2
263.23682	78.1
277.60370	1.9
281.24780	2.4
296.18552	2.1
337.27319	61.1
355.28397	6.6
499.32858	6.2
679.36053	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	681.293
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23423	0.3
62.25232	0.3
69.03429	0.4
70.06584	2.3
70.90948	0.7
70.91324	0.7
76.15328	0.3
81.03421	0.8
82.12592	0.4
84.04509	0.5
84.08138	0.8
85.02916	0.4
86.09721	0.9
97.02923	0.5
103.03397	0.3
126.05592	0.3
129.10257	0.4
136.06583	0.3
137.05937	0.4
141.73521	0.3
148.07538	0.3
154.08667	0.6
171.98399	0.3
181.62387	0.3
185.04288	0.4
203.05342	1.1
228.15953	0.3
251.11397	0.3
259.07776	1.8
283.06216	2.1
283.14969	0.4
303.05121	0.6
347.09509	0.9
357.18842	3.9
365.10431	2.9
372.71436	0.3
379.03232	0.4
421.13309	1.3
459.21835	0.9
487.21896	1.1
501.13882	0.6
519.24115	27.2
520.24445	1.6
681.29346	100.0
682.29431	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	677.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48954	1.4
53.03941	2.0
55.05510	12.7
57.03444	6.9
57.07067	4.2
61.02922	17.5
65.03924	1.8
67.05501	88.7
69.03414	3.3
69.07066	15.7
71.04999	2.4
71.08620	1.5
71.50842	1.2
73.02904	6.7
75.04472	2.5
79.05489	44.8
81.03428	3.9
81.07052	100.0
83.04965	2.2
83.08620	9.0
83.86208	1.2
85.02904	21.5
85.06539	3.8
87.51440	1.1
91.03955	20.5
91.05472	27.7
91.06006	2.3
93.07037	61.5
95.04949	4.3
95.08601	69.8
97.02875	10.3
97.06538	4.8
97.10159	4.8
99.08076	1.6
105.01884	1.4
105.04520	1.3
105.07028	22.7
107.08591	39.6
109.02818	2.0
109.06520	3.7
109.10148	38.3
111.08057	3.1
111.11682	1.8
117.07011	10.7
119.08575	17.9
121.10133	36.4
123.08064	3.1
123.11694	20.3
125.09611	2.7
127.03927	6.3
129.07001	2.2
131.08566	22.1
131.74210	1.3
133.10107	17.4
135.11688	28.2
137.13258	8.6
139.11110	1.6
145.04961	8.0
145.10121	18.8
147.11664	14.1
149.13257	23.5
151.11209	2.6
151.14824	1.6
153.12820	1.7
159.11676	14.9
161.13239	11.7
163.06030	10.5
163.14815	17.2
165.12717	2.3
173.13269	15.9
175.14839	4.6
177.12801	2.9
177.16397	6.1
179.14270	2.3
185.13284	1.7
187.14778	8.4
191.14294	2.8
199.14957	1.7
201.16412	3.6
215.17961	2.4
229.52141	1.5
233.22670	4.0
243.08261	1.2
243.21071	33.5
247.19687	1.7
249.12122	1.6
261.22122	97.7
279.23199	6.2
317.24854	2.1
335.25754	35.5
353.26846	32.0
358.53592	1.4
408.39844	1.6
497.30954	5.4
677.31891	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	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01868	1.9
55.05504	15.9
57.03425	5.2
57.07058	4.9
61.02639	1.7
61.02922	23.1
64.43283	1.2
65.03930	1.9
67.05499	70.4
69.03421	4.4
69.07048	9.5
69.46816	9.2
69.47224	2.0
71.05004	1.4
73.02909	9.5
75.04456	1.3
79.05052	2.8
79.05485	39.7
81.03400	4.3
81.07050	78.6
83.05004	1.6
83.08614	7.6
85.02897	28.1
85.06523	3.3
89.81810	1.2
91.03949	26.9
91.04950	2.3
91.05470	25.8
93.07034	58.6
95.04945	3.9
95.08599	57.8
97.02891	12.9
97.06506	3.7
97.10159	5.1
99.04467	2.7
99.08050	3.1
105.07021	21.8
107.08585	34.8
109.02909	1.6
109.06506	3.0
109.10141	36.6
111.08084	2.1
117.07001	10.7
119.08564	17.1
121.10135	33.7
123.08048	2.9
123.11702	17.9
125.09610	2.2
127.03934	7.4
129.06993	2.6
131.08553	19.9
133.10124	14.1
135.11687	29.4
137.09618	2.9
137.13268	7.8
144.37041	1.6
145.04951	11.5
145.10118	16.9
147.11670	15.6
149.09593	2.1
149.13237	19.6
151.11169	3.7
153.12718	1.8
159.11685	15.6
161.13245	9.8
163.06000	20.1
163.14789	13.2
165.12769	3.7
173.13268	17.7
175.14844	5.2
177.16338	6.2
179.14285	2.7
187.14760	11.3
191.14273	2.8
198.62141	1.3
201.16411	4.9
205.15849	2.2
228.58202	1.4
233.22646	3.6
243.21060	38.7
261.22116	100.0
279.23193	2.7
295.04715	1.4
335.25732	15.4
338.17734	2.2
353.26828	29.6
677.35687	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
57.07058	0.4
66.11740	0.2
67.05508	0.5
69.38194	1.6
69.38624	0.8
79.05488	0.4
80.29851	0.2
81.03425	0.3
81.07050	0.4
85.02952	0.3
88.07636	0.4
89.90154	0.3
91.05477	0.5
93.07020	0.4
95.08610	0.6
107.08554	0.3
109.10155	0.5
119.08608	0.2
149.02281	0.4
151.04492	0.3
152.30482	0.3
160.63550	0.3
173.03064	0.3
185.04265	0.8
193.04994	0.5
203.05292	1.7
256.26379	0.6
259.07919	1.1
305.07950	0.3
333.24765	0.8
347.09540	1.0
365.10461	3.1
421.13220	1.3
433.84576	0.2
515.31885	21.1
516.32385	0.3
528.58594	0.2
636.94794	0.2
637.05939	0.3
642.31732	0.2
677.37097	100.0
678.37433	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	677.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
67.05493	1.2
69.07058	0.4
71.60659	0.4
72.42005	0.3
79.05497	0.8
81.03405	0.7
81.07047	0.8
91.05469	0.7
93.07055	0.4
95.04954	0.2
95.08574	0.6
96.93177	0.2
105.06990	0.3
107.08601	0.4
109.10170	0.5
119.08565	0.4
121.10124	0.4
128.91821	0.2
131.08540	0.3
133.10135	0.3
161.02998	0.3
184.07455	0.4
185.04216	0.8
193.04942	0.3
256.26309	0.5
259.07944	0.4
267.15906	0.3
333.24973	0.6
347.09460	0.9
515.31842	21.9
516.32434	0.7
602.65332	0.3
677.37073	100.0
678.37402	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	677.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63806	1.8
52.57400	1.7
53.03933	4.9
55.01874	1.6
55.05500	3.9
55.68306	1.7
55.76519	1.7
56.96557	4.1
57.03419	3.0
61.02916	4.0
65.03916	3.2
67.05490	8.2
69.03416	5.6
69.07061	5.6
70.06594	13.0
71.04964	3.3
72.08182	4.3
79.05503	11.0
80.05029	2.6
81.03408	8.1
81.05777	2.1
81.07052	8.1
82.06564	4.4
83.04984	3.2
84.04504	1.9
84.08144	5.1
85.02904	6.5
85.06557	2.2
86.09693	6.7
91.03961	2.3
91.05498	10.7
93.07045	24.7
94.06566	23.9
95.04962	6.6
95.07355	20.3
95.08591	8.4
96.08131	47.4
97.02875	6.9
97.06526	6.7
98.03239	2.0
103.05429	3.7
105.07012	6.0
106.01581	1.8
106.06552	2.8
107.04953	2.6
107.08578	3.6
108.04496	9.8
108.08115	30.7
109.02875	3.0
109.08910	3.0
109.10172	4.8
110.09679	78.6
119.08525	5.2
120.04463	13.1
120.08102	47.8
121.06520	2.7
121.10130	5.4
122.06032	5.6
123.04380	2.0
123.06836	2.7
123.08026	2.0
124.07593	4.2
127.03921	3.8
131.04921	2.4
133.10161	3.2
134.06013	4.4
135.07979	1.7
136.07568	19.1
137.05916	2.5
137.09616	5.1
138.09137	90.8
140.10742	3.1
146.06000	5.0
148.07581	15.9
149.09583	1.9
150.05446	2.7
152.07091	3.1
156.08162	2.5
160.07594	3.5
163.03967	3.2
164.07088	3.1
165.09117	2.8
165.55904	1.7
166.08641	86.5
172.03871	3.5
184.07483	2.6
197.10858	1.9
199.08623	5.9
204.06526	4.7
208.09903	1.9
209.10696	2.6
211.08687	3.8
212.09360	2.6
213.10237	5.7
215.11777	2.7
221.10725	3.5
223.08650	5.4
223.12379	2.6
224.09448	5.1
225.06543	3.6
225.10208	8.6
226.11057	2.0
227.11827	5.8
235.08672	4.9
235.12442	2.5
236.09419	6.6
237.10280	13.5
238.11090	5.3
239.08153	3.5
239.11848	12.5
241.09735	4.2
243.11221	3.8
245.12944	2.3
247.08766	2.3
247.67079	1.9
249.10211	20.1
250.10956	5.9
251.08150	3.1
251.09082	3.2
251.11775	33.4
252.12553	6.3
253.09723	7.5
253.13472	4.2
255.11313	4.2
261.10336	2.5
262.11008	2.8
263.08493	2.2
263.11832	11.8
264.12708	3.6
265.09656	6.0
265.13214	4.2
266.10641	3.2
267.11313	6.5
269.12836	42.3
271.10861	5.2
271.14349	2.3
273.12408	5.2
273.16010	3.0
277.09656	5.4
278.10538	3.1
279.11322	7.2
280.09698	2.4
281.12778	2.7
283.10721	8.5
284.11453	2.8
285.12387	6.6
291.11246	2.4
293.09384	2.1
293.12820	3.2
295.10635	4.0
297.12262	12.2
299.14050	3.5
300.15012	2.5
301.13177	3.1
302.12784	3.1
303.13510	4.4
304.14566	2.6
305.08572	1.7
307.10663	1.8
309.12112	4.4
311.10342	2.9
311.13791	6.1
313.12378	2.0
314.13107	3.7
314.16522	8.7
315.13925	3.9
316.14505	7.2
317.21143	2.7
318.12372	2.4
325.12079	2.8
326.13135	2.6
326.16568	2.7
327.09808	2.7
327.13657	3.1
328.14600	4.7
329.11621	3.0
329.15399	2.5
330.12408	7.7
330.15756	3.3
331.13129	2.0
332.13989	4.8
340.14471	3.3
341.11804	2.5
341.15775	2.1
342.12369	4.9
342.16095	3.8
343.13254	4.5
344.13916	12.7
344.17664	3.5
345.14835	5.6
346.11725	4.3
346.15631	3.9
354.12402	3.0
354.16336	2.5
355.09286	3.0
355.13174	2.8
356.13889	4.6
356.17691	4.2
357.14737	8.5
358.11630	3.2
358.15485	9.1
359.16379	7.0
360.13150	2.4
360.17142	5.3
368.13971	4.7
369.14413	1.9
370.11560	2.6
370.15494	4.8
371.12573	2.7
371.16589	3.0
372.12976	3.6
372.17139	9.3
373.14273	5.2
374.14905	4.9
382.15814	3.8
383.12964	2.0
384.17068	7.4
386.14764	12.1
387.11603	3.3
387.16083	9.7
388.16742	11.9
389.13727	5.0
390.18503	2.1
391.15729	2.3
400.16574	22.5
401.13507	2.8
402.18484	9.9
403.16086	2.3
404.15842	2.4
405.17224	2.2
406.17636	6.6
410.15027	3.1
414.14474	2.3
416.16040	37.7
418.17590	11.6
420.15451	4.6
421.15784	3.3
428.16022	20.1
430.17746	4.8
434.11404	3.6
434.17108	50.5
435.17688	2.7
436.18707	10.0
444.15619	4.5
446.17093	100.0
447.17361	2.0
448.18552	8.9
452.18286	11.7
456.15302	6.5
462.16324	18.2
464.17950	11.5
466.13312	3.5
474.16479	11.1
480.17719	12.0
488.18082	2.0
494.19058	13.8
506.19278	25.2
512.20233	41.2
524.20148	12.4
553.24420	4.2
581.23920	27.5
583.25293	6.6
599.24963	92.4
600.25140	2.7
601.26324	4.7
609.23419	13.3
617.26013	15.7
627.24390	37.5
628.22943	2.3
641.25763	12.9
645.25464	81.9
646.25177	3.2
659.26849	15.9
677.28156	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01859	1.5
55.05508	4.1
56.05026	1.3
57.03416	2.6
60.04498	1.0
61.02922	7.5
67.05500	6.8
69.03417	3.9
69.07056	2.1
69.53369	0.7
70.06590	24.4
70.85387	1.2
70.85715	1.0
71.04976	2.0
71.06900	0.8
72.08146	1.7
73.02888	3.2
74.06065	1.4
75.04456	1.1
79.05485	8.4
81.03412	72.1
81.06699	0.6
81.07052	6.0
83.04963	3.1
83.08136	1.4
83.08614	22.6
84.04497	1.6
84.08141	4.8
85.02901	11.1
85.06487	0.8
86.06049	1.0
86.09698	6.0
87.00810	0.9
91.03953	6.6
91.05476	9.1
93.07040	5.5
95.04964	23.7
95.08580	2.4
97.02866	6.8
97.06508	2.2
98.06026	1.8
99.04392	1.2
102.05521	0.8
105.07023	5.6
107.04965	6.1
107.08572	3.1
109.02851	1.7
109.06491	2.6
109.10145	2.1
110.07136	1.2
111.04416	2.4
111.08070	8.6
113.53715	0.7
115.05427	1.5
119.08578	7.7
120.08077	1.4
121.02817	0.8
121.06523	2.1
121.10147	4.6
123.04426	3.0
123.08040	1.6
123.11698	0.8
125.09667	0.7
126.05521	1.0
127.03915	4.3
127.08659	1.2
129.06998	6.5
129.10233	2.2
131.08551	6.6
133.06474	2.7
133.10101	3.7
135.08044	1.0
136.07506	1.3
136.98436	0.8
137.05997	1.3
137.09578	1.9
139.03958	0.7
140.08113	1.0
141.42873	0.7
142.07735	1.4
145.04982	3.4
145.10059	1.9
147.04411	2.1
147.08044	2.7
147.11662	6.2
148.07512	1.6
149.09592	5.1
155.08177	1.9
157.10109	9.5
161.05917	0.7
163.06039	6.5
163.07410	1.2
163.11176	1.1
165.12755	1.9
171.11707	0.9
175.11185	12.4
189.12677	0.7
190.04980	0.9
193.12228	61.6
194.12614	1.4
207.13855	0.8
211.13332	6.1
217.12167	0.8
235.13257	3.1
239.11604	1.0
244.10451	1.0
252.09219	0.8
253.09724	0.8
259.13251	2.7
267.11383	1.7
267.15894	31.8
267.88754	0.8
273.14612	1.0
285.16940	100.0
286.17331	1.6
295.10699	1.6
299.18661	1.3
301.14352	2.1
309.16888	13.2
313.11908	4.1
325.11487	1.4
327.17902	2.4
341.11270	0.9
349.29416	0.8
351.17972	2.7
359.12473	1.1
363.18063	4.3
373.13800	8.3
375.17944	2.3
387.22260	1.9
393.18945	4.2
411.19934	2.4
429.21097	1.2
633.21484	1.0
677.19611	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	676.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04044	1.2
53.03941	3.1
54.88408	1.1
55.01875	2.1
55.05506	5.1
57.03431	5.5
61.02921	10.7
67.05498	10.7
69.03417	4.4
69.07082	3.1
70.06583	8.2
71.04977	2.3
71.06013	2.9
72.08155	1.6
73.02912	2.7
74.86143	1.4
79.05486	8.1
81.03410	95.7
81.07056	7.7
82.03766	1.4
83.04970	3.8
83.08610	24.4
83.09367	1.7
84.08127	3.0
85.02889	10.4
86.09681	2.8
87.38566	1.2
91.03943	9.4
91.05480	9.5
93.07019	6.5
95.04963	25.2
95.08627	2.4
97.02879	8.3
97.06566	1.9
97.10172	3.1
99.08080	1.4
105.07030	10.0
107.04961	7.1
107.08586	2.7
109.02876	1.4
109.06487	1.8
109.10134	1.9
111.04462	2.4
111.08059	12.5
119.04858	1.4
119.08595	9.6
121.06530	2.1
121.10136	5.7
123.04455	2.5
123.08091	1.8
127.03922	2.5
129.06972	9.0
129.10258	2.7
131.08536	8.1
133.06531	3.0
133.10130	5.8
136.07625	1.4
137.09663	1.9
142.07855	1.3
145.04953	3.4
145.10103	2.3
147.04398	1.5
147.08058	3.1
147.11696	7.8
149.09586	6.0
157.10106	13.2
163.06056	6.9
163.11194	1.9
165.12816	2.0
175.11163	14.2
193.12228	68.9
193.90686	1.3
205.45236	1.3
207.13823	1.8
211.13263	5.4
235.13292	4.0
259.13251	2.3
267.15915	49.8
273.14825	2.2
285.16934	100.0
286.17316	1.9
289.47025	1.4
301.14474	1.9
309.16937	22.2
351.18005	2.6
363.17984	4.6
375.17929	2.7
393.19061	6.4
398.54968	1.7
411.19897	3.1
427.94119	1.6
429.21140	11.8
489.41162	1.4
570.46112	1.3
651.26965	1.4
656.96014	1.5
677.91394	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48310	0.3
54.37257	0.3
55.05494	0.4
60.31998	0.3
67.05508	0.4
69.93078	1.9
73.25073	0.3
78.45454	0.3
81.07059	0.4
85.02876	0.4
98.20698	0.3
102.64877	0.3
105.06993	0.4
108.31178	0.3
117.82735	0.3
131.08490	0.4
134.75020	0.3
291.83066	0.3
296.23346	0.3
395.94342	0.4
413.16101	0.4
427.17969	0.4
453.15829	0.6
454.16788	0.9
455.13101	0.4
456.13901	0.4
457.14618	0.4
467.13275	0.6
467.17566	0.5
468.13745	2.5
469.14804	8.4
469.25104	0.4
470.15662	1.6
471.16440	0.9
478.27780	0.4
479.17493	0.4
481.14804	2.8
482.15771	10.8
483.16553	10.1
484.17236	1.7
487.15598	0.4
495.16724	2.1
496.17493	5.8
497.18185	39.1
498.18704	4.6
499.19711	0.9
500.17365	0.6
501.17508	0.9
503.19046	0.4
510.19183	2.7
511.19711	5.3
512.20630	1.7
515.19366	3.5
523.15985	0.5
527.15485	0.7
528.16071	2.0
529.17664	0.5
538.19794	0.8
539.21570	0.5
541.17493	1.0
542.17792	2.8
543.18500	0.6
555.18768	2.2
556.19495	3.9
557.20160	3.6
569.20258	0.8
571.21887	0.9
573.23138	0.6
587.21655	0.4
616.21716	1.3
617.22729	0.6
629.22131	1.3
630.22650	0.5
643.23938	6.7
644.24713	7.6
645.24640	1.0
657.25610	7.1
660.23926	0.8
675.26526	100.0
676.26630	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	674.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01860	4.7
55.05510	18.3
57.03441	15.2
57.07054	3.1
61.02916	6.6
67.05501	31.6
69.03418	5.6
69.07047	9.1
70.06569	6.0
71.04991	5.4
71.43172	3.8
72.38996	2.5
72.65638	2.1
79.05485	26.8
81.03416	100.0
81.07056	30.6
83.04958	9.5
83.08621	22.6
83.13419	2.7
85.02909	18.8
85.06490	2.5
86.09675	4.2
88.07624	3.2
91.05055	2.5
91.05490	32.0
93.07039	18.5
95.04966	34.4
95.08611	13.2
97.02881	9.2
97.06509	4.7
97.10168	5.9
105.07027	26.0
107.04987	12.1
107.08588	10.0
109.02887	2.8
109.06506	6.9
109.10155	6.1
110.68021	2.4
111.04471	2.9
111.08075	10.3
113.05959	3.2
115.67751	2.2
117.07058	4.4
117.68637	2.4
119.08567	22.4
121.06487	4.3
121.10149	12.3
123.08092	3.6
125.09613	5.5
129.07016	14.6
131.08557	14.3
133.06491	4.4
133.10123	12.2
135.11673	3.0
137.09584	3.2
145.06445	3.8
146.74286	2.3
147.08020	5.9
147.11673	12.1
149.02328	9.3
149.09586	10.1
149.18701	2.3
157.10118	13.6
165.12700	5.2
175.11151	16.3
193.04948	5.7
193.12231	43.8
211.13309	30.6
219.01572	2.4
228.23157	8.1
229.14355	2.7
237.07660	3.0
267.15927	94.0
285.16949	22.5
357.23950	2.6
367.22617	9.4
385.23703	12.0
429.11771	4.8
433.25473	11.4
441.26221	5.8
459.27402	43.5
477.28473	30.2
596.01770	3.0
674.35132	21.8
682.54962	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	673.3404
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
52.23090	0.3
53.03936	0.7
55.01857	1.0
55.05501	1.6
57.03435	2.2
59.04992	0.9
61.02923	4.0
64.65060	0.3
65.03932	0.5
66.27122	0.3
67.05499	8.3
69.03427	3.2
69.07051	1.3
70.06083	1.5
70.06572	1.1
71.04984	1.4
73.02920	2.6
79.05487	3.2
81.03412	5.8
81.07042	4.5
83.04979	1.8
83.08626	1.7
84.08119	0.4
85.02898	4.9
85.06528	0.7
85.56773	0.3
86.06049	0.4
86.09730	0.4
86.67649	0.3
87.04465	0.5
91.03957	2.7
91.05473	3.5
93.07036	2.9
95.04958	1.5
95.08612	2.1
97.02891	3.7
97.06518	0.9
99.04449	1.2
101.02354	1.8
103.03912	0.8
105.07028	2.1
107.04964	0.9
107.08588	2.0
109.02882	1.2
109.06493	0.6
109.10144	6.9
111.04467	0.6
111.08098	0.7
113.06017	0.5
115.57113	0.3
117.07021	0.7
119.08543	2.2
121.06503	0.7
121.10143	1.7
127.03892	2.1
129.07008	1.2
131.08568	1.2
133.06503	0.4
133.10130	1.2
135.11766	0.4
135.51523	0.3
137.09642	0.6
145.04964	0.5
145.10081	0.7
147.11697	1.8
149.09627	1.8
157.10114	1.0
163.03879	0.6
163.11168	0.6
165.84258	0.3
169.10220	0.4
173.11774	2.4
175.11211	1.1
184.07407	0.5
186.38271	0.3
187.03969	0.4
193.12216	1.8
195.09901	0.6
211.13252	0.8
214.17970	0.4
225.14816	0.5
227.12907	0.4
229.14256	1.8
233.11429	0.3
243.08449	2.3
243.17076	0.4
245.04782	0.6
253.14334	0.4
265.05319	0.5
267.15930	1.2
275.20306	0.3
283.06232	2.9
283.15213	2.8
301.07358	1.4
306.07904	0.5
339.08963	0.5
339.17844	1.0
355.15106	0.4
391.24817	0.3
413.17819	9.3
421.26013	0.4
439.27228	0.9
501.23062	9.2
511.20248	0.4
670.44055	0.4
673.34015	100.0
674.34125	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	672.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96235	0.4
53.03933	0.7
55.05507	4.6
57.03437	3.6
57.07072	33.1
61.02638	0.6
61.02924	10.0
67.05499	7.9
69.03434	2.2
69.07065	7.0
71.08630	27.3
71.45328	1.0
73.02919	4.0
75.04465	1.7
79.05472	1.0
81.03400	0.8
81.07050	12.2
83.08133	0.7
83.08613	9.3
85.02900	13.8
85.10175	14.5
89.06018	0.8
91.03945	9.9
91.05479	0.9
93.07035	1.2
93.61933	0.4
95.04958	0.8
95.05920	0.4
95.08603	21.3
97.02888	7.4
97.10158	5.7
99.04447	0.4
99.11703	1.0
103.07542	0.6
105.07024	0.8
109.02866	0.4
109.09452	0.7
109.10148	9.5
110.10526	0.5
111.11718	1.2
115.03921	0.6
123.11702	3.4
125.13280	0.6
127.03919	5.1
137.13269	2.1
145.04939	5.6
163.06010	8.3
165.16449	0.5
184.07300	0.5
221.22560	1.0
239.23677	21.0
240.23965	0.9
257.24741	4.2
298.27490	0.9
313.27344	100.0
314.27649	3.2
331.28400	25.1
332.28653	0.9
338.63077	0.5
475.32596	2.3
513.65234	0.4
699.55200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.05505	4.4
57.03440	3.7
57.07073	34.7
59.19518	0.5
61.02638	0.9
61.02922	13.2
65.03952	0.6
67.05172	0.8
67.05504	11.5
68.05834	0.9
69.03411	2.1
69.07059	8.0
70.73996	0.8
70.74313	1.0
71.04968	0.6
71.08625	28.6
73.02914	4.8
73.08900	0.6
75.04453	1.9
79.05486	2.5
80.06580	0.5
81.03404	2.2
81.07054	14.8
82.07402	0.7
83.04974	1.0
83.08131	0.9
83.08614	11.9
85.02899	16.8
85.06527	0.9
85.10177	17.2
86.39024	0.5
89.06046	1.0
91.03398	0.8
91.03950	12.9
91.05457	1.7
93.07051	2.7
95.04951	1.6
95.08601	20.9
96.08878	0.6
97.02886	7.9
97.10159	7.7
99.02792	0.5
99.04438	0.7
99.11725	1.5
103.07554	0.6
105.07023	2.0
107.08594	1.2
109.02853	0.7
109.06537	1.1
109.10146	12.2
111.11704	1.3
115.03914	0.7
117.07018	0.5
119.08541	0.7
121.06476	1.1
121.10100	1.1
123.11696	4.7
125.09660	0.6
125.13257	0.8
127.03908	5.0
131.08568	0.7
133.10164	1.3
135.07957	0.7
135.11775	0.6
137.13214	2.5
145.04958	7.6
145.10138	0.9
147.11688	0.7
151.14754	1.0
157.10005	0.5
163.06007	10.8
177.12701	0.5
196.98473	0.6
199.85912	0.6
221.22641	0.8
239.23666	23.0
257.24814	4.2
276.70749	0.6
313.27344	100.0
314.27673	2.9
331.28415	33.5
332.28598	0.8
359.97751	0.6
475.32739	0.7
495.76572	0.7
636.40033	0.6
654.40515	0.8
672.42639	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	671.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87988	2.3
55.01868	8.0
55.05510	33.2
56.96558	5.2
57.03430	11.6
61.02916	7.4
65.03918	3.7
67.05501	47.1
69.03424	19.6
69.07066	12.0
70.06600	9.4
71.01355	3.5
71.04990	10.2
72.08157	3.8
73.02893	3.5
73.37041	2.4
79.05482	40.9
81.03417	46.0
81.07053	44.9
83.04990	14.8
83.08614	26.2
84.08131	3.8
85.02927	16.0
85.06553	4.5
86.06025	3.8
86.09697	4.9
91.03916	3.2
91.05474	33.5
93.07043	30.5
95.04966	27.5
95.08603	23.6
97.02888	12.6
97.06521	11.8
97.10168	25.8
98.20717	6.8
99.04427	4.5
103.05364	3.5
105.07031	27.4
107.04954	16.8
107.08597	23.4
109.02862	9.5
109.06533	17.2
109.10150	22.4
111.04462	5.2
111.08058	5.8
116.10755	4.3
117.07008	14.3
119.08580	16.2
120.08112	4.9
121.06509	20.2
121.10122	15.1
123.04422	5.4
123.08052	7.4
123.11726	3.5
125.09625	19.3
127.03931	8.1
129.05447	2.9
129.07005	12.4
131.04900	4.5
131.08556	18.1
133.06464	5.4
133.10109	11.1
135.08054	7.7
135.11664	4.3
137.05974	5.6
137.09630	3.2
141.06969	5.8
143.08536	6.4
145.06548	13.2
145.10141	9.9
146.06004	8.4
147.04393	3.5
147.08107	7.4
147.11740	13.1
149.09613	7.4
153.09087	5.0
154.07703	3.6
155.08586	3.8
157.06535	4.9
157.10118	10.9
159.11691	3.1
161.09639	5.9
163.03954	4.3
163.11223	8.1
165.09085	5.1
165.12720	3.2
169.10081	5.1
171.11642	5.1
173.11792	3.7
173.13243	3.1
175.07501	2.9
175.11185	8.6
185.09570	3.8
185.13284	4.1
189.04259	3.3
189.11162	7.6
189.12730	2.9
193.12231	17.7
197.13335	4.0
199.11186	4.0
205.12231	3.3
211.13318	9.8
213.12726	3.1
215.14268	3.8
219.13770	5.1
227.12672	7.4
229.14317	7.0
233.15373	8.0
242.29031	2.7
255.13745	4.2
267.09061	4.1
267.15872	16.4
273.14893	10.9
275.16376	3.6
285.10120	6.3
326.23203	5.9
339.23203	3.4
349.21384	6.4
356.27335	3.7
357.24396	3.4
367.22607	25.9
385.13779	13.5
385.23703	43.1
386.23724	3.7
388.08359	3.2
403.24826	10.9
405.23944	3.3
424.30542	4.2
432.18729	3.3
441.26047	5.4
459.27399	100.0
477.22107	4.5
477.28506	69.0
478.28891	3.4
491.30341	12.8
509.31149	8.1
671.25739	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	671.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15377	0.4
53.03925	0.7
55.01855	1.0
55.05499	1.6
56.05021	0.5
56.96550	0.5
57.03411	0.8
57.07062	0.4
61.02896	0.8
65.03935	2.5
66.03463	1.9
67.01829	0.4
67.05501	3.1
69.03410	0.9
69.07063	1.4
69.31286	3.1
69.31693	1.1
70.06585	2.2
72.08124	0.9
73.02898	0.6
76.80479	0.4
77.57325	0.4
79.05486	4.6
80.05030	0.5
81.03403	1.7
81.07049	2.6
82.87048	0.4
83.04971	0.7
83.08600	0.7
84.04493	0.6
84.08140	1.0
85.02888	1.9
86.06035	0.6
86.09693	1.0
91.03921	0.7
91.05468	4.3
93.03391	4.9
93.07037	3.8
94.06564	4.8
95.04948	1.6
95.08579	1.3
96.08119	0.9
97.02859	1.4
97.06519	1.1
97.10133	1.0
98.09653	0.6
98.20687	0.7
99.04465	0.4
103.05444	1.6
105.06998	1.9
106.06573	0.5
107.04957	0.7
107.08586	1.3
108.04471	4.5
108.08112	3.6
109.02852	1.0
109.06535	0.9
109.10154	2.0
110.08865	0.4
110.09637	0.6
111.08025	0.5
116.04946	0.4
117.05751	0.7
117.07002	0.5
118.06541	2.0
119.04884	0.5
119.08570	1.5
120.04462	6.9
120.08090	15.4
121.06465	0.9
121.10108	1.0
122.06024	3.3
122.09650	1.1
123.11717	0.5
123.78156	0.4
124.07591	2.0
125.09653	0.8
127.03903	1.1
129.07034	0.9
129.10271	0.5
130.06497	0.4
131.08569	1.0
132.08087	1.0
133.10138	0.9
134.06001	2.7
135.08061	0.7
135.11649	0.8
136.07582	4.9
137.06026	0.8
137.09595	0.6
138.05478	1.3
138.09082	1.0
144.08122	1.0
145.10088	0.7
146.05994	84.4
147.06367	0.9
147.11693	1.0
148.07561	19.0
150.09119	1.6
152.07092	1.0
157.10129	0.6
158.06046	0.6
158.09660	0.6
159.11592	0.5
160.07564	6.3
161.09622	0.7
162.05551	0.5
162.09134	2.2
163.03870	0.7
163.11160	0.9
164.07030	2.6
165.09109	1.1
166.08675	0.8
167.07289	0.6
172.07503	0.6
172.85393	0.4
173.09541	0.5
175.11267	0.6
176.06963	0.5
177.05516	0.9
182.09650	0.9
183.09174	1.2
186.09109	0.7
188.07121	0.5
194.09642	0.5
195.09146	1.0
196.07301	0.4
196.09944	1.1
197.10684	1.7
198.11507	0.5
199.08667	0.6
199.12265	1.1
201.10210	0.5
204.06619	1.0
206.08171	0.9
208.09669	0.6
208.11412	0.7
209.10634	4.3
210.09444	0.8
210.11407	3.5
211.08629	2.1
211.12216	2.2
212.09334	0.8
213.10165	0.8
218.46365	0.5
223.08661	1.2
223.12318	3.1
224.09395	1.7
224.13052	1.6
225.10265	3.8
225.13835	5.2
226.10820	0.7
227.11769	7.7
227.15251	0.5
234.07567	2.1
235.12239	0.4
237.10202	4.0
238.10956	4.8
239.11728	4.7
240.12357	0.6
241.09741	0.8
241.13373	1.3
243.11275	0.6
249.10236	1.4
250.10985	1.4
251.11768	3.5
252.08434	0.9
252.12459	2.8
253.13344	18.7
255.11252	3.0
255.14934	0.9
260.09146	0.4
263.11722	1.6
265.09738	0.8
265.13309	2.3
266.10394	0.8
266.14120	0.7
267.11249	1.6
267.15765	0.7
269.12930	2.0
271.11072	0.5
271.14374	1.3
278.10376	0.5
279.11215	4.6
281.12845	18.8
283.10782	2.1
283.14816	0.5
284.11578	2.1
285.10025	0.5
285.12366	4.5
286.13129	1.4
287.13867	13.0
288.15015	0.8
289.13281	0.8
290.12872	0.5
291.11212	0.5
293.12839	0.6
295.10724	1.0
297.12244	9.5
299.13861	6.3
300.11459	0.6
301.12302	0.7
301.16095	0.5
302.16663	0.5
309.12375	4.5
311.13757	3.2
313.15558	3.2
314.12701	2.0
315.13660	3.0
316.14487	4.8
317.15167	1.2
318.15921	0.8
321.12222	1.6
323.13953	0.6
328.14377	1.2
329.15424	1.3
330.12219	0.9
330.15909	7.3
331.13168	0.5
331.16782	6.1
338.13586	0.4
339.13412	4.4
341.11237	1.0
341.14978	7.7
342.12183	0.9
342.15897	1.1
343.13086	0.5
344.13785	1.3
344.17584	2.0
346.19156	1.5
351.13370	2.2
354.16238	0.7
356.13663	2.0
357.14456	3.6
358.15448	6.0
359.12350	6.4
359.16168	0.9
367.12921	2.6
367.22665	0.7
369.14398	3.0
370.15323	0.7
371.16418	0.7
372.17093	4.0
373.17920	4.2
378.18088	8.7
385.13895	100.0
386.14197	1.9
386.18536	0.7
390.18076	10.0
402.17984	1.9
404.19879	1.0
414.17923	4.2
415.17493	0.5
420.13748	0.8
420.19141	12.5
432.19144	29.9
433.19696	0.7
459.27176	2.3
477.28586	1.7
504.21198	2.7
506.22861	1.0
507.23920	0.9
539.26208	0.8
548.20258	12.2
549.20636	1.2
550.21613	3.7
566.25024	0.5
567.25818	3.7
585.27063	3.5
609.26898	2.6
623.22668	0.6
627.27734	4.4
629.25623	0.9
653.25714	2.0
671.26630	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	671.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01863	2.7
55.05510	7.3
56.96569	1.6
57.03431	3.6
61.02925	2.6
67.05495	15.0
69.03425	5.0
69.07071	4.3
70.06586	6.3
71.04989	2.4
71.21340	2.3
72.08141	2.2
73.02887	1.8
79.05486	8.5
80.05006	1.1
81.03412	12.1
81.07056	11.3
83.04984	3.8
83.08609	4.1
84.08125	2.6
85.02905	6.8
85.06542	1.7
85.34647	1.4
86.09692	2.7
87.00841	1.4
91.03937	1.6
91.05477	8.4
93.05756	1.1
93.07032	9.3
94.06548	2.4
95.04969	6.8
95.08595	6.2
96.08124	1.6
97.02881	5.1
97.06532	3.6
97.10156	2.9
99.04436	1.7
103.05402	1.5
105.07036	7.9
107.04955	2.6
107.07332	3.7
107.08576	4.9
108.08118	7.5
109.02882	2.9
109.06530	3.8
109.10143	9.4
111.04428	1.9
111.08037	1.3
117.06997	2.7
118.06512	1.1
119.08587	5.7
120.08104	9.8
121.06509	4.7
121.10136	6.1
122.09663	6.8
123.11720	1.1
125.09635	4.2
127.03893	3.8
129.07010	2.5
129.10187	1.2
131.08577	6.0
133.10085	2.8
135.08031	3.2
135.11717	1.7
136.07567	9.9
137.09601	1.7
138.09116	2.6
143.08571	1.4
145.02794	1.9
145.10107	4.3
146.06006	5.4
146.09636	2.7
147.11696	2.0
148.07567	14.9
149.09628	2.4
150.09129	10.7
151.07570	2.3
154.05096	1.3
157.10069	2.5
159.08110	1.1
159.11685	1.5
160.07552	1.7
161.06009	1.3
161.09689	2.5
161.13329	1.3
163.03920	2.0
163.11121	2.1
164.06982	1.3
165.09105	4.1
166.08603	1.9
169.10069	1.5
173.09613	1.3
173.11739	2.0
175.11067	1.3
177.05511	1.8
181.12128	1.2
189.09282	1.2
189.11180	1.5
189.12711	2.3
193.12254	3.0
213.16542	1.2
221.10756	1.5
223.12160	1.4
225.10301	1.9
227.12779	2.4
229.14343	3.5
230.14624	1.3
235.08739	3.3
237.10207	7.2
238.11011	3.8
239.11699	8.2
248.09387	1.7
249.10159	7.0
250.11075	6.3
251.11732	13.2
252.12587	6.5
253.13379	9.6
254.17653	1.5
255.11295	1.5
263.11740	9.6
264.12518	3.1
265.13324	17.7
265.15939	1.5
266.10443	2.9
266.14047	3.3
267.11383	3.0
267.15518	2.3
269.12753	1.7
277.09564	1.4
278.10556	3.9
279.11270	37.2
279.14410	2.2
280.11966	2.4
281.12875	4.8
285.09814	2.2
285.12589	2.6
285.16711	1.5
291.11292	5.3
292.12015	2.0
293.12643	1.8
296.11307	1.5
297.12360	11.7
299.13898	5.3
309.12317	37.8
310.13010	2.0
311.13794	14.0
314.13626	1.8
315.13763	1.8
323.13773	1.6
325.15683	2.0
328.14413	2.3
329.15179	1.9
330.15942	1.4
339.13412	2.9
341.15021	1.4
342.15982	3.2
351.13370	20.7
355.12781	2.4
356.13934	1.6
356.17923	1.4
357.14618	6.2
358.19028	1.2
367.22702	2.6
369.14447	20.9
370.15442	4.0
372.16971	2.3
384.16724	1.5
385.13907	5.2
385.23645	3.9
403.24765	1.7
432.19022	5.5
444.19217	2.0
446.20990	2.0
459.27158	9.3
461.22534	1.9
462.20160	4.5
464.21863	1.5
476.21814	5.8
477.28598	6.9
504.21292	25.2
505.22058	2.6
506.22586	8.5
509.31699	1.5
548.20239	100.0
549.20978	11.2
550.21783	37.1
585.26776	1.9
627.28241	2.2
671.26062	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	671.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
55.01852	0.4
55.05494	1.1
57.03415	0.5
57.89159	0.3
61.02906	0.3
65.03933	2.7
66.03455	2.7
67.05496	2.7
67.74823	0.3
69.03422	0.8
69.07043	0.7
70.04448	0.3
70.06574	0.9
71.04953	0.3
71.60696	0.6
79.05486	2.6
80.04998	0.8
81.03412	2.3
81.07043	1.2
83.04958	0.6
83.08609	0.4
84.08138	0.4
85.02874	1.0
85.36258	0.4
86.09666	0.4
91.03943	0.6
91.05475	3.6
93.03400	4.3
93.07044	2.8
94.06559	4.8
95.04936	1.2
95.08574	1.0
97.02866	1.4
97.06498	0.5
97.10162	0.4
99.04444	0.5
103.05441	1.5
105.07008	1.2
106.06535	1.1
107.08592	1.2
108.04471	7.9
108.08099	2.8
109.02864	0.7
109.06478	0.5
109.10158	1.4
110.05995	0.4
110.07211	0.4
111.04449	0.3
111.08072	0.5
117.05755	0.6
117.06998	0.5
118.06535	2.1
119.07379	0.3
119.08549	0.7
120.04456	10.6
120.08102	13.1
121.06438	0.4
121.10121	0.8
122.06026	4.0
124.07592	2.0
125.09570	0.4
127.03911	1.0
129.06989	0.6
131.08572	0.9
132.08078	0.7
133.10129	0.9
134.06007	3.1
135.08060	0.4
136.07574	3.6
137.05893	0.3
138.05484	1.4
138.09132	0.5
144.08063	0.6
145.10104	0.8
146.05997	82.6
147.06348	0.4
147.08049	0.3
148.07564	19.5
150.09131	1.1
152.07053	1.0
158.05946	0.6
158.09651	0.7
160.07574	5.2
162.09137	1.5
163.11223	0.4
164.07047	2.9
166.08632	1.1
170.09659	0.5
172.07530	0.7
174.07721	0.4
174.09148	0.5
182.09697	0.8
183.09167	1.3
184.09854	0.6
186.09166	0.4
193.08861	0.4
193.12366	0.3
194.09622	0.8
195.09096	1.0
196.09906	1.2
197.10675	1.7
198.07684	0.5
198.11391	0.6
199.08640	0.7
199.12373	0.9
201.10181	0.5
204.06564	0.8
206.08145	0.5
208.11264	0.4
209.10696	4.0
210.11459	3.6
211.08534	2.6
211.12158	1.9
212.09369	1.2
213.10300	0.8
221.10736	0.5
223.08644	0.7
223.12265	3.1
224.09291	1.0
224.13010	1.4
225.10156	3.3
225.13834	4.7
226.11037	0.7
227.11787	9.0
229.14209	0.6
232.15004	0.4
233.10715	0.6
234.07617	2.6
235.12332	0.5
235.24109	0.4
236.12981	0.4
237.10214	4.2
238.10954	4.6
239.11780	3.3
240.12523	0.4
241.09659	0.6
241.13303	1.4
249.10127	1.0
251.11777	3.5
252.08723	0.8
252.12460	2.7
253.13350	19.3
255.11296	3.2
255.13739	0.4
255.14990	0.4
262.11023	0.6
263.11691	0.8
265.09689	0.7
265.13516	0.6
266.10391	0.7
267.11295	1.2
268.11774	0.4
268.16187	0.4
269.12909	2.2
269.16681	0.4
270.09564	0.4
271.10712	0.6
271.14377	2.0
273.12357	1.0
279.11301	1.3
281.12836	18.3
283.10718	2.0
284.11566	1.4
285.12344	3.9
286.13058	1.6
287.13873	12.8
288.14853	0.5
289.13211	0.8
290.12878	0.5
293.12875	0.7
295.10660	1.0
295.14136	0.6
297.12326	7.6
299.10696	0.6
299.13889	7.9
300.11282	0.6
301.12201	0.7
302.12720	0.4
304.14316	0.8
309.12354	0.4
311.13821	1.6
313.12436	0.4
313.15515	3.1
314.12949	1.8
315.13599	2.6
316.14481	4.0
317.15155	0.7
318.16171	0.5
321.12405	3.2
326.16592	0.6
327.11453	0.4
327.14865	0.4
328.14655	1.2
329.15173	1.3
330.15952	6.6
331.13092	0.7
331.16754	6.8
339.13370	5.2
340.14450	0.9
341.11237	1.1
341.14957	6.9
341.18851	0.5
342.12350	1.2
342.16074	0.7
343.16931	0.7
344.13754	1.3
344.17624	2.4
345.18369	0.4
346.19077	1.4
355.15851	0.6
356.14008	1.2
357.14407	3.1
358.15469	5.2
359.12308	6.9
359.16110	0.6
367.12933	2.8
371.16309	0.7
372.16989	4.5
373.17880	4.1
375.15518	0.5
378.18112	9.5
384.13147	0.6
385.13901	100.0
386.14203	1.4
386.18713	0.7
388.20270	0.6
390.18091	10.3
399.10785	0.4
399.15555	0.6
402.18280	2.2
404.19733	1.0
414.18085	3.7
419.18060	0.7
420.19135	15.9
428.19806	0.4
432.19168	29.2
433.19696	0.6
459.27420	0.5
507.23642	0.5
539.26190	0.5
549.25043	0.6
567.25934	3.5
585.27246	3.7
609.26953	2.2
627.18500	0.5
627.27759	4.2
629.26013	0.9
653.25519	1.7
671.26624	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	669.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.4
56.96612	1.0
60.17813	0.9
67.05494	3.9
69.07056	2.1
70.06596	1.4
70.56455	1.1
70.72098	0.9
71.21483	1.5
79.05481	6.4
80.05003	1.2
81.03414	3.3
81.07057	3.6
82.73142	1.1
85.02907	1.6
90.86845	1.0
91.05446	5.3
93.07049	5.5
94.06557	8.4
94.42780	0.9
95.04961	4.6
95.08602	2.3
95.23304	1.1
97.02873	1.6
97.06498	1.7
97.22828	1.1
100.71555	1.1
103.05475	3.8
105.05770	1.6
105.07018	2.6
107.08618	1.2
108.08117	4.6
109.10145	2.1
118.06541	1.8
119.08565	2.8
120.04454	4.3
120.08096	24.5
120.08930	1.8
121.10156	1.7
122.06011	5.1
127.03909	1.1
131.08566	1.4
133.10115	1.3
134.06007	1.9
136.07567	6.8
148.07559	35.0
148.08684	2.2
149.07826	0.9
149.13202	1.5
159.11771	1.2
166.08655	2.7
172.07625	1.1
198.07808	2.0
199.08649	2.0
208.09917	1.3
209.10632	1.3
211.08563	2.2
212.09370	1.6
213.10223	3.9
217.09761	1.1
221.10692	1.2
223.08728	1.6
223.12332	2.4
225.10286	3.5
235.08719	4.6
235.12352	1.3
236.09398	7.7
237.10132	4.7
239.11774	3.0
247.08762	1.2
249.10211	14.9
250.10963	7.8
251.11775	28.3
252.08687	1.5
252.12480	3.0
253.09729	3.3
253.13377	1.7
261.10223	1.9
262.11176	1.0
263.11758	9.1
264.12460	1.7
265.09799	1.8
265.13312	4.0
267.11346	2.1
273.59470	1.0
277.09866	2.2
279.11053	1.0
283.10852	2.2
284.11517	1.6
290.12994	1.0
295.10797	4.2
297.12469	1.1
300.15292	1.3
309.12146	1.3
310.13449	2.5
313.12497	1.1
314.12885	4.9
314.16449	1.4
315.14337	1.7
316.14377	2.7
324.15009	7.1
325.12762	1.3
325.16107	2.4
326.13190	3.6
326.16669	2.5
327.14191	4.1
327.17599	1.6
328.11014	1.8
328.14447	9.0
329.15280	2.6
330.12158	2.3
338.16708	4.7
339.11209	1.2
339.17224	3.6
340.14490	2.3
340.18060	18.2
341.11536	2.6
341.15680	2.4
342.12357	18.4
342.16064	7.3
343.13071	3.4
343.16830	3.5
344.13770	5.5
352.14755	1.1
354.12222	5.3
354.16159	1.4
355.13147	5.1
355.16919	1.8
356.13855	22.8
356.17700	2.7
357.14676	12.6
358.15387	4.9
358.19400	2.0
366.16028	2.8
367.17053	2.9
368.13547	6.2
368.17871	4.9
369.14633	5.7
370.15466	18.3
371.16193	12.7
372.17029	4.2
374.18655	1.2
381.18216	1.1
384.17123	13.6
385.17856	1.7
386.18741	11.0
397.14273	3.9
400.16702	11.5
402.18356	2.1
412.16507	25.5
413.16098	1.1
415.15070	2.8
418.17667	19.3
426.18106	3.2
430.17584	100.0
431.17950	3.3
444.19104	4.4
449.19525	2.8
461.19785	1.5
477.19238	1.9
504.20767	1.4
519.23657	2.2
534.18658	3.1
537.25140	5.1
547.23303	6.2
565.24377	24.6
583.25464	14.9
597.26984	4.5
607.25366	13.9
625.26520	93.7
626.26947	3.3
651.24493	13.0
669.25360	55.1
669.34766	2.4
670.25696	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	669.1658
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
53.03947	0.7
55.01863	0.4
56.96530	0.1
57.03431	0.9
61.02920	1.3
62.74850	0.1
65.03929	0.2
66.23622	0.1
68.99780	0.4
69.03423	4.1
69.45171	0.9
70.06244	0.1
70.06593	1.7
71.01344	0.1
71.04984	0.5
72.08143	0.2
73.02547	0.1
73.02914	1.7
74.06051	0.1
79.41058	0.1
81.03411	3.4
81.07034	0.1
81.45789	0.1
83.01341	0.2
83.04944	0.1
84.04482	0.2
84.08139	0.5
85.02898	6.2
86.09699	0.5
87.04475	0.1
91.05455	0.1
93.03394	0.3
95.04958	0.3
97.02274	0.2
97.02885	2.7
99.00843	0.1
99.04448	1.3
101.02432	0.1
101.19324	0.1
103.03912	0.4
105.07046	0.1
109.02872	2.7
110.07150	0.3
111.00806	0.9
111.04448	0.1
115.03914	0.5
115.08658	0.1
117.07047	0.2
119.04960	0.2
120.08138	0.2
121.02849	0.9
123.04453	0.2
127.03908	5.2
129.10213	0.3
129.64267	0.1
133.04956	0.9
135.04407	0.1
136.07478	0.1
137.02330	2.6
137.03387	0.1
145.04947	1.9
145.06201	0.1
147.04388	0.3
149.02345	0.4
153.01814	3.0
153.10033	0.1
155.08069	0.1
161.05975	0.3
163.03975	0.6
165.01828	1.8
166.02586	0.2
173.05994	0.3
177.05460	0.1
179.03383	0.1
183.02864	0.7
183.04431	0.3
185.05920	0.1
187.04207	0.2
187.06003	3.6
191.03313	0.1
195.02763	0.2
201.05438	1.1
205.05116	0.2
205.07047	1.6
215.03276	0.1
219.06516	0.2
229.04942	4.0
243.03014	0.1
247.06046	0.7
254.10747	0.1
257.04446	2.6
265.11942	0.1
274.04730	0.9
275.05420	0.2
285.03934	1.4
303.04962	100.0
304.05334	0.7
315.04755	0.2
315.13107	0.1
345.06006	0.4
369.06149	0.2
393.05933	0.1
411.07077	0.3
462.20029	0.2
463.20407	0.2
465.10272	9.2
479.26096	0.1
506.23373	0.2
625.23944	0.1
668.28467	0.8
669.28308	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	669.1651
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
53.03924	0.6
55.01866	0.4
57.03431	0.8
60.49785	0.1
61.02922	1.6
68.99776	0.5
69.03072	0.2
69.03424	3.5
69.43476	0.7
69.43900	0.4
69.97164	0.1
70.06572	0.4
71.01344	0.2
71.04967	0.5
73.02917	2.3
79.05515	0.2
81.03413	3.5
83.01273	0.2
84.08141	0.3
85.02898	6.9
86.06003	0.1
87.04466	0.2
87.68916	0.1
91.03948	0.1
93.03394	0.2
95.04950	0.3
97.02881	3.1
98.21462	0.3
99.04436	1.4
103.03961	0.4
107.04968	0.1
109.02873	2.9
111.00788	1.0
111.63010	0.1
115.03931	0.6
115.82712	0.1
121.02843	0.7
123.04393	0.2
127.03910	6.1
133.04959	1.2
135.04449	0.2
137.02322	2.8
137.03380	0.2
141.92160	0.1
145.04935	2.3
149.02319	0.4
153.01820	3.1
161.06026	0.3
163.03903	0.7
165.01810	1.7
166.02542	0.4
173.05977	0.4
183.02895	0.9
183.04353	0.2
187.04097	0.3
187.05995	4.5
191.03452	0.2
193.12302	0.2
193.72980	0.1
195.02881	0.1
201.05446	1.4
205.05133	0.3
205.07053	3.0
213.05486	0.2
219.06540	0.2
228.04153	0.2
228.66658	0.1
229.04965	4.0
239.03372	0.2
247.05829	0.7
253.49695	0.1
257.04416	2.7
274.04691	0.5
275.05420	0.3
285.03992	1.3
303.04968	100.0
304.05325	0.8
315.04849	0.2
324.11517	0.3
340.12900	0.2
345.05917	0.4
411.06876	0.3
449.09146	0.2
465.10278	13.6
634.04541	0.1
689.55835	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	669.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01841	0.6
56.05020	0.2
56.96530	0.3
57.03435	1.8
60.04489	0.4
61.02921	2.7
65.03922	0.3
67.05473	0.5
68.99773	0.2
69.03425	8.2
69.07036	0.2
70.06593	1.6
71.01328	0.3
71.04987	1.1
72.08121	0.7
73.02914	3.3
74.61127	0.2
79.05470	0.3
81.03414	5.1
81.07020	0.6
83.01308	0.3
83.04970	0.3
83.06064	0.2
84.08095	0.7
85.02898	17.0
86.09671	0.6
87.04420	0.7
89.13991	0.2
91.03902	0.6
91.05457	0.4
93.03407	0.4
93.07007	0.3
95.04967	0.4
95.08576	0.3
97.02888	4.8
97.06500	0.4
97.50779	0.2
98.21575	0.4
99.04445	2.2
103.03932	0.8
103.05454	0.2
105.04555	0.2
105.07007	0.4
107.04955	0.2
109.02876	3.8
109.06411	0.1
109.94642	0.2
111.00762	0.8
112.09933	0.2
115.03873	0.7
119.08525	0.3
120.08090	0.6
121.02836	0.7
121.06448	0.2
121.10065	0.2
123.08041	0.2
127.03907	8.0
129.06975	0.2
129.10173	0.5
133.04961	1.0
135.04440	0.2
135.11642	0.2
136.07547	0.3
137.02336	2.1
137.05907	0.6
140.10675	0.4
145.03888	0.3
145.04953	4.0
147.04391	0.2
149.02286	0.5
153.01799	3.2
154.08580	0.3
161.06004	0.3
163.03943	0.8
165.01852	1.6
166.02686	0.2
173.05949	0.3
179.03288	0.2
183.02844	0.7
183.04289	0.2
187.04276	0.2
187.06009	4.6
188.07040	0.2
195.02791	0.3
201.05447	1.5
205.07027	2.8
215.03275	0.2
217.04860	0.2
219.03003	0.2
228.04224	0.2
229.04953	3.5
247.06017	0.6
257.04440	2.0
258.05087	0.2
266.10712	0.2
273.03998	0.3
274.04773	0.8
275.05374	0.4
285.03922	1.2
297.08167	0.2
301.03543	0.2
302.04163	1.2
303.04965	100.0
304.05313	1.1
311.14767	0.2
313.03271	0.2
327.04971	0.4
345.05966	1.5
357.05856	0.3
369.06104	0.2
447.09634	0.2
449.08542	0.7
465.10300	12.4
466.10638	0.2
477.08310	0.3
488.55569	0.2
507.11035	0.2
529.50256	0.2
607.26947	0.5
614.39471	0.2
669.27094	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	668.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.01854	1.5
55.05504	6.0
57.03435	13.7
57.07064	0.8
59.05001	3.8
61.02893	1.9
65.03927	0.6
67.05501	61.6
69.03397	2.6
69.07062	3.3
69.53446	4.7
70.06575	1.5
71.04982	3.2
72.08122	0.6
73.02895	1.1
79.05488	7.9
81.03415	51.5
81.06591	0.9
81.07054	15.8
83.04957	1.8
83.08616	15.2
85.02905	2.9
85.06512	2.7
91.03927	1.1
91.05472	14.0
93.07031	7.6
95.04366	0.9
95.04963	15.8
95.08593	7.1
97.02860	2.9
97.06507	2.7
97.10157	1.4
99.08079	0.9
103.03962	0.7
105.07027	7.5
107.04965	3.6
107.08574	4.2
109.06499	3.0
109.10149	68.3
111.04442	1.4
111.08076	8.0
115.05444	1.1
117.06983	2.2
119.08578	11.4
119.09398	0.4
120.04321	0.6
121.06461	2.0
121.10133	4.3
123.04416	0.7
123.08045	1.2
125.09591	1.0
128.06161	0.6
129.06995	5.8
131.08565	4.6
133.06401	1.6
133.10088	2.7
135.08014	1.1
135.11705	1.2
137.09605	4.2
141.07040	0.7
142.07817	1.4
145.10112	0.9
147.08037	2.4
147.11693	5.1
148.07634	0.7
149.09592	2.6
155.10651	3.7
157.10103	7.1
158.75435	0.6
163.11119	1.4
165.12730	0.9
173.11737	21.7
175.11198	5.2
193.12228	20.5
194.12459	0.8
196.00784	0.6
207.13873	0.7
211.13286	1.6
229.14340	95.1
230.14571	1.5
249.14799	2.3
267.15903	84.7
268.16245	1.6
273.14478	0.8
301.14429	1.0
312.74460	0.6
318.44446	0.6
329.21115	2.7
346.83334	0.6
403.24817	10.5
421.25830	100.0
422.26083	2.5
463.26950	1.8
517.27972	0.9
529.27966	1.4
547.28687	1.6
569.73456	0.7
636.85376	0.7
668.33563	0.7
697.94220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.5
55.01862	10.6
55.05500	27.4
57.03425	14.5
57.06820	7.5
57.07075	78.6
58.61304	5.0
60.68891	5.7
64.64226	5.2
65.03931	5.5
67.05503	68.8
69.03448	14.8
69.07064	27.0
69.30101	65.2
70.86874	6.3
71.01346	7.7
71.08626	47.9
71.57735	5.5
79.05473	38.6
81.03412	59.0
81.07054	62.5
83.04927	6.9
83.08613	31.6
85.02901	24.7
85.10172	19.9
91.05472	32.9
93.07037	34.6
95.01328	5.5
95.04958	100.0
95.08612	55.4
96.68634	5.0
97.02867	10.6
97.06538	8.0
97.10169	17.8
98.20557	8.1
103.03945	17.5
105.07007	27.4
107.04940	28.0
107.08590	18.7
109.02888	21.3
109.06498	13.1
109.10165	38.0
109.52276	5.4
117.07024	19.1
119.04940	14.2
119.08581	13.3
121.06522	18.0
121.10120	14.1
123.04417	67.4
129.07011	15.2
131.04907	8.2
131.08548	13.4
133.06497	13.0
133.10104	8.2
135.07988	6.5
135.11711	7.4
143.08562	9.4
145.06461	8.6
145.10129	23.5
147.04407	20.5
147.08034	13.0
149.06018	9.2
159.11667	6.3
161.05968	10.7
163.11165	27.5
164.36732	5.8
171.08150	6.4
171.11636	8.1
173.05945	7.4
173.09552	10.5
175.11212	6.0
177.12665	6.4
181.25507	5.7
189.05473	17.0
189.12805	11.3
193.12224	8.2
199.11169	6.8
205.12340	9.2
207.13707	10.8
217.12170	15.4
223.13184	6.5
235.13286	92.7
239.23666	15.4
249.14897	7.9
255.13786	8.6
259.13431	31.8
273.14832	37.8
277.14243	12.4
283.13281	19.3
289.14493	8.6
301.14352	70.1
305.98181	6.1
309.16998	11.1
313.27386	97.5
319.15347	22.1
337.16364	9.2
355.28363	9.4
375.18063	27.3
381.33484	6.9
393.19107	21.5
411.19910	12.5
415.30811	16.4
532.06964	6.8
547.39563	23.0
589.40735	16.3
613.40863	32.2
631.41339	13.9
649.42902	10.1
667.42297	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	667.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01865	5.2
55.05508	19.5
57.03438	8.3
57.07071	45.0
58.50827	1.4
60.45969	1.4
65.03931	3.1
67.05500	40.1
69.03426	21.3
69.07060	14.9
69.34601	13.8
71.04996	10.8
71.08627	29.5
79.05488	19.7
81.03413	100.0
81.07054	42.8
83.04983	15.9
83.08613	26.0
85.02905	14.3
85.06540	3.0
85.10178	18.4
86.73487	1.2
91.05472	24.4
93.07043	16.2
95.04964	22.8
95.08605	35.2
97.02879	24.5
97.06507	3.7
97.10154	10.6
99.04443	8.7
99.08092	2.5
105.07030	17.2
107.04942	8.1
107.08603	7.1
109.02882	21.3
109.06499	4.5
109.10153	14.7
111.04414	10.2
111.08067	7.4
116.32661	1.2
117.07043	4.4
119.08572	15.9
121.06523	2.4
121.10126	9.3
123.04418	2.3
123.08089	2.0
123.11720	6.7
127.03912	17.4
128.06200	1.8
129.05527	1.9
129.07010	9.8
131.08571	7.3
133.06485	4.9
133.10147	8.3
135.08080	1.4
135.11691	3.3
136.20531	1.6
137.13297	2.3
142.07710	1.7
143.08559	2.9
145.10152	3.7
147.08055	3.2
147.11684	18.7
149.09634	4.9
153.12781	1.7
155.08646	1.3
157.04961	1.3
157.06433	1.5
157.10097	8.1
159.11775	1.8
161.09636	1.5
163.11211	5.1
163.12679	1.3
165.12733	6.6
171.08087	1.5
173.04497	2.1
175.11195	10.5
177.12628	1.6
181.12283	4.6
189.11194	1.8
191.10681	4.0
192.15208	1.3
193.12225	31.6
209.13237	2.6
211.13271	51.3
211.15210	2.8
227.12827	5.8
229.14301	2.4
239.23715	10.9
255.13849	2.0
267.15857	15.6
268.95499	1.4
273.14920	3.7
285.16998	4.2
291.15878	1.5
298.93976	1.5
301.14575	2.2
313.27341	33.1
319.15454	2.5
337.16406	7.7
341.27023	3.1
355.17484	12.2
367.27954	1.5
383.28333	2.5
393.18985	2.1
411.20071	14.2
439.30356	1.8
493.97580	1.5
505.38931	6.1
523.39899	12.3
575.22534	1.5
648.25629	1.4
649.43103	3.2
667.44122	86.3
668.44470	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	663.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	37.0
67.11452	1.1
67.20216	1.0
69.69955	1.0
70.52998	2.2
70.53365	2.6
82.42934	1.0
84.75275	1.2
87.04459	1.5
91.05450	5.5
96.31413	1.1
105.07034	1.2
147.11674	3.4
152.06146	1.1
153.06998	2.9
165.70616	1.2
183.41266	1.1
233.03609	5.0
251.04639	12.4
307.10995	2.6
323.46982	1.4
327.07785	75.0
328.08145	1.5
383.14005	58.8
384.14191	2.6
439.20309	58.5
440.20068	1.8
495.26526	76.6
496.26367	1.4
551.32819	100.0
552.32684	2.0
607.39014	64.6
608.39465	2.4
663.45587	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	664.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25034	2.3
55.05497	6.4
57.03428	9.2
57.06871	1.9
57.07074	20.3
57.19717	1.8
58.82422	1.9
59.04973	3.0
61.02911	5.0
63.49755	1.9
67.05499	56.2
69.07057	3.3
70.91027	2.7
70.91379	4.9
71.04979	2.3
71.08624	20.0
81.07049	16.5
83.08620	11.2
85.02896	2.8
85.10169	9.6
91.03974	2.5
91.05443	3.5
91.66718	2.0
93.07048	2.1
95.08599	12.8
97.10144	2.5
98.02906	1.8
109.10152	59.9
119.08559	5.5
123.11668	2.1
127.12305	2.1
155.10623	4.6
173.11746	19.4
204.53331	2.0
229.14333	100.0
288.61380	2.6
313.27350	87.7
467.37308	70.3
530.38782	2.0
552.33398	2.9
621.36713	2.3
625.23651	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	667.3302
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
53.03930	1.0
55.01862	0.8
55.05497	2.1
55.35167	0.6
56.96525	0.5
57.03419	2.5
61.02921	5.1
67.05495	6.1
69.03419	3.1
69.07063	1.7
70.06588	0.8
71.01345	1.0
71.04982	2.2
71.60203	0.9
71.60639	1.2
73.02916	3.1
76.08972	0.5
79.05482	5.3
81.03419	3.8
81.07041	3.7
83.04967	2.0
83.08619	1.5
85.02888	5.2
86.09698	0.8
91.03945	2.4
91.05472	4.3
93.07043	5.9
95.04965	2.5
95.08598	3.0
96.08226	0.6
97.02876	4.6
97.06522	1.9
99.04461	1.5
101.02367	1.7
103.03944	0.7
105.07039	3.4
107.04937	0.8
107.08571	4.0
109.02871	1.3
109.06539	0.8
109.10164	2.2
111.08040	0.8
113.81622	0.6
117.07008	0.8
119.08558	2.9
121.10135	2.5
125.06027	0.6
125.09653	1.1
127.03902	1.9
129.07014	1.5
131.08566	1.4
133.10124	1.9
135.08099	0.7
135.11693	4.1
145.05095	0.7
145.10127	2.1
147.08122	0.8
147.11644	1.0
156.72054	0.6
157.10164	1.1
159.08118	0.6
159.11697	0.7
161.09578	0.7
163.11215	1.7
163.46960	0.6
171.11772	0.6
173.13274	1.1
175.11237	0.9
181.12279	1.1
184.07449	0.9
195.62076	0.6
198.28426	0.5
221.11516	0.7
227.12756	1.0
229.14400	0.7
243.08482	2.5
251.12599	1.1
321.22647	0.7
429.94809	0.7
438.25821	0.8
439.19379	7.1
469.20526	5.2
505.11276	1.2
667.32941	100.0
668.33307	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	662.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01862	3.3
55.05508	17.3
57.03429	19.6
57.07065	2.4
59.05003	2.2
60.04514	13.2
60.59771	1.1
61.02914	4.7
65.03918	1.7
67.05499	47.5
68.94264	1.1
69.03416	5.3
69.07061	14.8
70.06584	2.3
71.01347	2.6
71.04984	4.8
73.02914	4.3
79.05488	37.6
79.28716	1.2
80.05811	1.4
81.03411	46.9
81.06571	1.9
81.07048	33.3
83.04976	18.9
83.08613	18.4
85.02419	1.8
85.02901	21.4
85.06528	3.5
86.09700	4.5
91.03969	1.8
91.05479	29.8
91.60144	1.5
93.07036	46.9
93.62138	1.3
95.04957	21.5
95.08604	12.6
97.02879	7.1
97.06527	10.5
97.10157	10.6
98.20779	3.3
99.08075	2.5
105.07022	18.5
107.04960	7.7
107.08585	26.1
109.02890	2.0
109.06523	3.4
109.10163	8.4
111.08061	9.0
115.05451	1.8
117.07023	3.6
119.08581	18.0
121.06487	3.2
121.10144	11.7
123.08079	2.4
123.11669	1.9
125.09654	2.4
127.03886	2.9
129.07007	8.3
131.08562	6.1
133.06522	1.6
133.10110	11.0
134.94269	1.2
135.08115	1.1
135.11682	38.5
137.09645	2.9
139.11142	1.2
142.07747	2.3
144.13806	14.8
145.10164	8.5
147.08041	2.3
147.11671	8.8
149.09608	4.3
153.12767	1.8
153.63669	1.1
157.10098	10.0
163.11113	6.9
165.12817	1.9
175.11151	8.5
181.12227	12.3
184.07384	7.5
193.12227	27.7
211.13272	39.6
211.15260	2.2
225.02469	1.1
229.07394	1.7
229.14224	2.4
255.15889	100.0
256.16193	2.8
267.08981	1.6
267.15897	23.4
283.06021	1.5
285.16931	24.3
291.19498	2.2
363.12344	2.4
372.25015	1.3
392.47705	1.2
396.34805	2.4
414.35809	4.4
421.25735	2.0
447.27359	38.0
465.28439	96.8
466.28693	5.3
662.31268	1.6
662.41345	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	659.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.8
56.96562	40.7
57.03434	1.5
61.02927	1.6
63.32079	1.3
67.05492	6.3
69.07047	3.7
71.60200	1.4
71.95255	2.6
72.96046	2.6
79.05480	3.6
81.03403	2.1
81.07050	4.4
85.02902	2.0
87.71820	1.3
91.05456	3.5
93.07025	3.1
95.04939	2.2
95.08574	2.1
105.07028	2.2
107.08539	1.7
109.10162	2.2
119.08596	2.5
120.69092	1.5
121.10095	1.6
128.98578	3.3
131.08568	2.2
133.10146	2.1
141.02231	1.5
146.99644	3.5
169.01746	2.9
171.03270	5.9
185.04858	7.0
189.04395	7.3
197.04767	2.0
199.06438	6.8
203.05908	9.8
211.06383	3.4
213.07938	9.4
217.07448	14.1
225.07945	5.3
227.09471	3.3
229.07449	2.7
231.06999	2.4
231.09023	13.3
237.07893	3.4
239.09557	5.7
243.09074	7.2
245.10573	4.7
249.07921	5.7
251.09558	7.5
253.11124	1.4
255.09050	25.4
257.10577	3.9
259.12051	2.3
267.06360	1.9
267.09048	34.9
269.10602	55.9
270.10986	2.2
271.12009	2.1
273.10065	18.4
278.10559	3.7
279.08963	2.7
280.09683	2.3
285.10080	51.9
287.11664	28.6
290.10547	3.7
291.12778	3.8
292.12097	6.7
297.10181	2.0
297.13550	2.0
303.11026	3.9
308.11649	4.2
309.13705	3.9
310.13132	1.6
331.15820	9.8
349.12924	2.8
349.16904	37.4
367.17902	100.0
368.18359	2.5
372.18573	3.2
385.18961	12.1
390.19501	18.7
391.19901	1.5
399.46423	1.5
561.30774	5.1
562.32678	1.5
659.38336	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	659.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.8
52.88125	0.7
53.03936	3.5
55.01853	3.7
55.05508	9.0
57.03433	21.0
57.07064	2.2
59.04996	1.3
61.02923	78.6
65.03938	1.9
67.05500	36.0
69.03427	31.0
69.03806	1.4
69.07072	9.7
70.05904	1.6
70.06315	2.7
71.01350	4.1
71.04987	5.7
72.32313	0.8
73.02914	25.5
75.04455	2.0
79.05487	24.3
81.02972	1.4
81.03415	22.3
81.07054	38.1
83.01318	1.6
83.04976	4.1
83.08612	4.4
85.02899	100.0
85.06510	1.0
87.04462	3.1
91.03948	60.5
91.05470	15.3
93.07037	28.2
95.04967	4.1
95.08602	27.6
96.08915	1.0
97.02885	74.4
97.06532	2.3
97.10162	1.7
98.03247	0.9
99.04446	12.9
99.08090	1.2
101.02370	7.8
103.03940	7.9
105.06370	1.1
105.07032	13.6
107.04965	1.9
107.08590	16.0
109.02869	11.9
109.06496	2.8
109.10150	14.1
111.04442	3.5
111.08054	1.0
115.03933	7.2
117.05470	2.3
117.07003	6.3
119.07745	1.2
119.08572	9.5
121.10136	15.7
123.08035	0.8
123.11691	5.3
125.09597	1.2
127.03909	33.8
129.05479	5.9
129.06985	2.1
131.08553	11.6
133.10150	9.6
135.11694	9.9
137.05952	1.0
137.13249	2.4
139.11140	1.3
141.07024	1.0
143.08543	1.8
145.04955	24.7
145.10117	7.6
147.08086	0.8
147.11681	6.0
149.09633	1.2
149.13260	6.6
151.11104	1.2
155.08501	0.9
157.10115	2.0
159.06525	2.2
159.11679	5.9
161.09579	1.2
161.13257	5.5
163.05997	6.0
163.14792	3.6
165.12717	1.1
169.10193	1.7
171.06519	2.0
171.11626	1.8
173.13264	5.2
175.14804	2.0
177.12732	1.0
177.16347	1.5
183.06485	5.0
183.11650	1.1
185.13217	1.9
187.14827	2.6
199.14838	1.6
201.05945	0.9
201.07497	4.5
201.16435	0.8
215.17949	1.0
243.21091	4.9
259.20633	3.1
259.76938	0.8
261.22116	15.6
275.20111	2.4
279.23203	1.2
285.21979	1.0
303.23154	2.0
315.23215	1.5
327.23111	1.6
333.24219	0.8
335.25775	67.3
336.26138	1.1
341.24994	1.0
351.23001	1.1
363.25177	2.4
369.24246	2.4
377.27109	1.8
405.26733	1.0
433.71057	1.0
443.27908	2.3
461.29169	2.0
479.29907	6.1
497.31229	1.5
499.75473	0.8
612.43646	0.8
659.35736	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	659.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80370	0.6
55.01857	0.9
55.05498	2.2
56.05009	0.6
57.03442	1.0
59.02704	0.6
61.02909	0.9
67.05505	4.4
68.69415	0.6
69.03414	1.8
69.07070	0.9
69.36376	6.1
70.06581	1.8
72.08183	0.8
79.05476	2.7
80.31709	0.6
81.03413	1.5
81.07046	3.3
83.08588	1.1
84.54053	0.6
85.02904	1.9
86.09692	1.6
91.03945	1.1
91.05458	3.7
93.07023	2.4
94.06569	2.3
95.04958	2.6
95.08579	1.3
96.08109	1.3
97.02887	1.6
97.06528	2.0
105.06998	2.0
107.04968	0.7
107.08596	1.1
108.04478	1.1
108.08105	1.4
108.93033	0.6
109.06494	1.0
109.10142	1.7
111.04451	0.6
118.33326	0.6
119.08586	1.5
120.08102	2.9
121.10117	1.0
122.06022	4.3
124.07574	3.2
127.03941	1.2
133.10132	1.0
134.06084	0.7
136.07562	3.8
138.09125	1.9
140.07066	1.4
144.04375	1.6
145.04903	0.9
146.05991	8.4
148.07552	5.3
149.09602	0.9
150.05502	1.4
156.08023	0.7
160.07547	0.9
160.11232	1.4
161.11607	0.9
162.05504	0.9
164.07021	1.7
166.08583	3.3
168.06580	1.9
172.03874	3.3
172.07681	1.1
178.04964	3.0
182.08107	1.7
184.11218	0.8
185.10757	1.9
187.12329	0.9
190.04985	9.9
191.26956	0.7
193.12422	0.7
196.09741	0.8
197.10742	1.6
198.09135	1.9
199.08646	1.4
199.12285	1.5
201.10257	2.7
211.08633	2.1
212.09193	1.5
212.10910	1.4
213.10132	4.8
214.10896	1.4
215.11804	1.9
225.10196	4.7
226.11021	2.3
227.08139	4.7
227.11740	1.0
228.12512	1.8
229.09709	2.9
229.13303	1.5
238.11137	0.8
239.11781	2.7
240.08556	3.1
240.12628	0.9
241.09708	8.8
241.13344	24.8
242.08102	1.0
242.10501	10.4
242.13054	1.3
243.11325	4.5
243.14909	1.1
244.12057	1.5
251.11935	1.3
253.09763	1.6
255.11230	3.6
256.12036	9.0
257.12796	8.4
258.08939	2.1
258.11255	1.5
258.13589	1.1
267.11295	1.8
269.12833	11.4
271.14389	7.0
273.12131	0.9
274.13184	0.9
279.11197	1.3
281.09201	1.5
283.10843	0.9
284.11572	7.0
285.09790	0.8
285.12439	5.0
287.10248	2.0
289.15497	4.4
295.10519	1.1
297.12347	1.3
299.10242	4.3
299.13879	7.6
301.11880	1.3
302.12637	3.6
313.11792	2.7
317.14938	100.0
318.15167	1.3
325.11920	2.5
329.11319	1.9
343.12961	2.3
357.10944	1.0
358.66342	0.8
361.13971	0.8
373.13861	8.5
383.12308	0.9
389.13452	1.0
393.17538	1.1
401.13208	1.8
411.18146	1.2
573.23132	1.7
592.73407	0.9
609.23077	2.1
615.28168	1.3
627.24152	2.9
631.27673	6.0
641.25623	1.9
659.26117	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	659.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01857	0.9
55.05495	1.7
57.03420	1.1
57.65927	0.8
67.05489	4.7
69.03423	1.8
69.07065	1.8
70.06581	4.5
71.05015	0.9
71.25131	0.9
72.08146	1.2
73.52999	0.8
75.70426	0.9
79.05489	3.3
80.05014	1.2
81.03400	4.1
81.07041	3.4
83.04968	1.1
84.08107	1.5
85.02901	1.8
85.06553	1.0
86.09702	2.2
87.00844	1.1
91.05468	3.4
93.03429	1.4
93.07038	4.1
94.06554	2.1
95.04976	3.3
95.07347	1.0
95.08598	2.5
96.08123	3.3
97.02890	2.2
97.06509	2.2
105.07079	1.4
106.06552	1.1
107.02237	1.1
107.08656	2.0
108.08103	3.4
109.02873	1.7
109.10133	1.8
110.07186	0.9
110.09670	3.9
117.05719	0.8
117.07057	1.1
119.08567	1.9
120.04459	1.3
120.08102	4.4
121.06526	0.8
121.10161	1.4
122.06030	8.0
123.08089	1.2
124.07597	3.1
126.37071	0.9
127.03895	1.6
129.10143	0.9
131.08585	1.8
133.10129	1.4
134.06017	1.4
136.07582	4.9
137.09607	1.5
138.09187	5.3
138.10092	0.9
140.07024	0.9
141.24405	0.9
144.04440	2.6
145.10150	0.9
146.06000	25.2
147.06371	0.9
147.11694	1.3
148.07570	2.1
150.05498	1.4
153.57251	1.0
160.07588	1.1
162.05481	3.6
165.09155	1.0
166.08621	11.3
168.06645	1.3
172.03931	7.4
172.07628	1.8
182.08173	1.3
185.10742	1.3
186.09219	1.3
190.04977	26.3
193.12302	2.0
196.09814	1.6
198.09183	6.3
199.12366	2.1
201.10172	3.3
212.10855	1.9
213.08298	0.9
213.10208	4.5
215.11809	5.0
225.10182	3.3
226.08653	1.0
226.11023	1.0
227.08319	1.7
227.11833	1.9
228.12469	1.3
229.09756	3.8
229.13303	2.1
229.25053	1.1
239.11772	2.4
240.10181	1.1
241.09656	7.7
241.13315	2.9
242.10451	11.0
243.11295	21.4
244.11905	1.6
251.11772	1.0
253.09619	1.6
253.13350	1.3
255.11232	4.1
256.12009	8.3
257.12869	12.0
258.11310	1.8
267.11465	1.7
269.12787	2.4
271.14462	3.0
281.12823	3.5
283.10822	2.2
284.11591	6.9
285.12347	49.9
287.05383	2.5
287.10211	2.3
289.15317	5.8
299.13910	26.0
299.17307	1.8
300.14481	1.1
302.12604	3.7
303.04901	1.6
313.11771	2.2
315.13574	1.6
317.14932	100.0
318.15240	2.1
325.11783	4.8
343.12863	3.5
358.15451	1.7
373.14093	2.0
400.16495	1.4
417.16519	1.3
418.17325	5.6
430.17651	4.2
565.24664	1.0
583.24982	4.8
609.23322	1.5
635.34741	1.4
641.25684	1.8
659.26831	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	658.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01871	0.5
55.05499	1.0
57.03433	0.8
61.02918	0.8
63.02370	0.4
65.03945	0.4
67.05167	0.6
67.05497	7.1
69.03416	1.9
69.07052	0.9
70.06597	1.8
71.60318	0.4
72.08128	0.7
73.02908	0.4
79.05475	1.3
80.61674	0.4
81.03408	3.9
81.07045	3.6
83.04968	0.8
84.08150	0.6
85.02884	1.5
86.09690	0.9
89.03898	4.5
91.05473	4.1
93.07024	5.9
95.04974	3.1
95.08574	2.3
97.02866	1.7
97.06511	1.1
99.04448	0.7
99.08070	0.4
103.05457	3.6
105.04536	0.5
105.07002	1.2
107.04942	0.5
107.08558	1.3
109.02879	2.2
109.06501	0.6
109.10141	10.9
111.08055	0.4
117.03363	17.3
119.08556	1.1
120.08059	0.5
121.06486	39.2
121.10137	0.6
122.05968	0.6
122.06779	0.5
127.03894	1.5
129.10124	0.5
134.03633	0.9
135.04391	1.9
136.07591	0.5
137.09596	20.8
138.09096	3.5
145.02824	48.1
146.03133	0.6
149.05969	6.7
151.07491	0.6
155.10602	0.7
158.05981	0.6
162.03099	0.4
163.03827	0.9
165.09097	13.2
177.05444	100.0
178.05782	0.8
183.10133	1.2
186.05542	1.8
194.08101	0.6
201.11235	1.2
239.97493	0.4
309.13364	1.1
314.13809	87.6
315.14166	1.3
327.14502	1.7
362.21484	0.4
392.15961	0.7
464.22543	0.6
482.23792	7.0
598.80884	0.4
601.43372	0.4
658.17804	5.3
658.30811	2.3
659.18237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01859	1.2
55.05508	3.1
56.96566	0.7
57.03416	2.0
57.07086	0.6
61.02914	0.6
63.59986	0.5
65.03938	0.7
67.05499	6.7
67.75728	0.6
69.03418	4.0
69.07053	2.7
70.06302	0.6
70.06592	6.2
70.07461	1.8
70.07854	1.1
71.04986	1.2
72.08136	2.3
79.05496	3.4
81.03413	3.7
81.07055	9.4
83.04971	2.0
83.08615	1.1
84.04466	0.9
84.08121	2.5
85.02899	4.2
85.06528	1.4
85.30334	0.6
86.01906	0.7
86.09686	2.1
91.03950	0.7
91.05479	3.6
93.07035	4.3
95.04948	2.3
95.08606	6.7
97.02870	3.3
97.06535	3.7
97.10165	0.8
99.04454	0.9
105.07064	3.7
107.04955	1.1
107.08613	3.8
107.09196	0.6
109.02872	1.7
109.06512	1.8
109.10139	5.7
111.04440	1.5
117.07042	1.6
119.08569	4.8
120.08071	1.0
120.45487	0.7
121.06496	2.4
121.10149	3.2
123.04445	0.6
123.08044	1.8
123.11678	2.2
125.05962	0.9
125.09578	1.0
127.03906	1.8
131.04935	0.8
131.08574	1.9
133.10112	2.0
135.08058	1.8
135.11687	1.9
136.07542	0.9
137.02252	0.6
137.05948	1.9
137.09607	8.8
137.13283	0.7
137.15065	0.6
138.09140	0.6
141.09178	0.7
143.08504	1.2
145.06461	0.7
145.10130	1.5
147.04398	2.4
147.07936	0.9
147.11655	1.4
149.09621	1.8
149.13263	0.8
151.07518	1.2
151.11156	1.7
153.01794	0.8
153.05457	0.6
155.08470	0.7
157.10167	0.9
159.08025	0.8
159.11610	1.1
162.05586	0.6
163.03925	0.8
163.11206	0.8
165.09105	100.0
166.09529	0.8
175.11243	1.0
177.05412	0.8
177.09024	1.1
183.10153	1.0
187.07533	0.8
191.10666	1.0
203.10677	1.1
205.12222	5.5
219.13872	0.8
227.12842	1.1
251.19954	3.5
267.11282	0.7
287.05463	1.2
303.04892	0.6
303.19476	1.4
327.14105	0.8
329.18042	0.9
367.26422	0.8
368.96777	0.9
371.12512	1.0
385.27103	1.8
403.28400	2.7
407.78653	0.8
435.01575	0.7
441.33914	1.5
448.99326	1.3
453.02652	2.6
453.11435	2.0
459.26816	0.9
461.28931	0.6
471.03735	8.4
472.04080	1.0
477.28635	0.6
494.05042	0.9
495.16577	0.8
591.22052	0.7
625.23645	0.6
657.17511	4.3
657.28577	2.2
657.41162	0.9
657.69647	0.8
658.18365	1.0
658.29852	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	657.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43744	3.1
63.44405	3.5
69.27923	28.1
69.28347	8.4
69.84701	3.0
101.09775	2.8
124.09852	3.3
149.36673	3.0
207.80186	3.3
243.40355	3.3
291.42908	3.6
318.84537	3.5
391.19260	4.5
408.18970	3.4
409.20175	8.4
422.20996	4.4
423.16699	3.3
423.21689	22.4
435.21957	7.8
436.22559	5.7
451.20929	4.7
453.23279	4.6
454.20074	6.5
461.24081	3.5
462.20386	4.5
467.24362	5.3
468.24924	4.8
477.22540	6.7
479.24561	6.0
488.42410	3.8
494.26904	3.5
495.23923	16.9
508.24518	14.6
509.26251	6.8
510.26169	10.7
511.26740	10.3
521.25208	4.1
525.28900	5.9
537.25122	16.6
538.25610	10.8
553.27686	9.4
565.23816	3.4
581.27673	23.3
583.25067	6.9
597.27087	50.9
598.27478	11.5
613.30286	59.7
625.26526	100.0
657.29034	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	657.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01870	8.8
55.05507	16.2
57.03435	20.8
57.07076	2.5
61.02924	63.2
65.03931	3.6
67.05504	34.5
69.03426	37.0
69.07076	13.1
70.06580	5.4
70.08516	1.9
70.09430	9.5
71.01350	5.3
71.05003	9.3
73.02916	30.7
79.05492	38.8
81.03411	29.5
81.07054	35.9
83.01350	2.5
83.04987	4.8
83.08617	8.0
85.02899	100.0
85.05843	1.8
85.06504	1.7
87.04490	2.6
89.44550	1.8
91.03951	51.2
91.05473	42.1
93.07043	46.1
95.04976	11.5
95.08605	26.6
97.02888	65.0
97.03510	3.8
97.06512	5.7
97.10174	2.2
98.20811	2.8
99.04455	10.5
101.02376	8.2
103.03943	9.1
103.05486	2.2
105.07023	40.3
107.04960	7.4
107.08582	29.2
108.08925	2.5
108.42648	1.9
109.02870	8.2
109.06518	7.1
109.10149	13.2
111.04432	3.2
111.08067	3.9
113.06049	2.3
115.03955	6.4
115.05460	2.7
117.05589	1.8
117.07013	18.9
119.08585	33.0
121.06472	4.9
121.10143	15.1
123.08054	4.3
123.11697	2.4
127.03905	25.3
128.06235	4.4
129.05464	6.0
129.06987	11.8
130.07787	2.3
131.04819	2.0
131.08560	21.7
133.06488	2.9
133.10118	23.3
134.05981	1.9
135.08076	2.9
135.11693	16.9
137.05963	2.8
137.09575	4.4
141.06990	4.8
142.07759	2.7
143.08542	12.1
145.04924	17.7
145.10118	18.9
147.08101	3.9
147.11656	20.7
149.09615	3.5
149.13258	8.1
152.07007	3.4
155.08618	5.1
157.10124	12.9
159.08017	3.3
159.11690	17.8
161.09605	2.3
161.13217	9.6
163.06001	2.9
163.11139	4.3
167.08537	3.6
169.10085	5.3
171.11717	9.8
173.09621	4.4
173.11920	2.0
173.13272	7.3
175.11169	4.3
175.14796	4.9
177.12630	2.3
178.05038	2.9
181.08629	1.9
181.10114	4.2
183.06564	4.3
183.11673	4.4
185.09541	2.4
185.13254	5.6
187.11067	2.9
187.14809	3.0
189.16409	2.5
191.78395	1.9
195.11693	4.0
197.13269	5.7
199.14825	5.7
201.16391	2.5
207.37791	2.3
213.16365	2.9
225.10378	3.2
231.21162	4.6
237.10153	2.4
239.17946	2.5
241.13391	5.7
241.19553	7.1
251.17892	2.3
257.18958	5.4
259.20587	20.0
265.09933	2.5
269.12903	6.4
271.20612	3.5
275.20288	2.0
277.21588	5.5
279.72641	2.1
281.12964	2.5
283.20483	2.9
289.21683	2.9
291.19702	2.6
297.22116	2.4
301.21582	7.6
313.21616	3.2
315.23215	4.2
318.98523	2.4
325.21606	4.5
331.22937	2.7
333.24213	30.0
334.24579	2.7
343.22632	3.5
349.21365	4.5
351.25473	2.6
363.25275	2.6
367.22729	6.8
375.25336	7.6
385.23718	4.8
399.25238	2.3
403.24683	4.4
405.62640	2.1
413.17767	2.2
417.26086	4.7
423.25867	2.2
429.26349	2.3
441.26541	14.3
459.27347	11.6
477.28375	13.7
495.29700	9.3
597.23401	3.6
625.22601	8.5
657.25122	6.1
657.33386	5.3
657.43408	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	657.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05650	1.9
63.40260	0.8
70.85885	3.1
107.09178	0.9
113.12356	0.9
132.08037	1.2
144.08009	1.1
183.09265	1.0
209.10680	1.5
220.09830	0.9
221.10721	1.7
223.12280	2.0
234.11394	1.3
235.12314	1.2
247.12425	1.2
249.13835	1.4
261.14008	1.7
273.13867	1.7
274.13205	1.2
277.13351	1.4
288.15268	1.5
312.14880	1.1
314.16486	1.7
316.18173	1.1
318.15964	1.3
326.16483	1.8
328.18210	1.3
331.16751	1.5
337.15268	1.0
338.16858	1.3
339.17163	1.1
340.17972	1.6
350.16046	1.3
351.16687	1.5
352.17645	2.0
361.14377	1.1
362.16260	1.4
363.16443	1.9
364.17474	2.2
365.17795	1.5
366.19263	1.4
374.16785	1.3
375.16049	1.3
376.17407	2.1
377.18021	4.9
378.18781	2.8
379.19513	5.4
380.20349	1.5
381.20718	1.4
389.17700	1.7
390.19086	1.7
391.19449	5.2
392.20044	3.3
393.16898	2.9
393.20905	3.2
394.17636	1.8
399.19513	1.3
403.15326	1.6
405.20596	3.3
406.21747	1.7
407.17764	1.6
407.22321	2.9
408.19296	5.5
409.20181	6.2
417.16940	1.6
418.18481	1.4
419.18417	3.0
419.23083	1.2
421.19608	6.8
422.21002	5.1
423.21875	19.5
424.22467	2.5
431.18863	1.3
432.19293	1.2
433.20102	1.5
434.20816	3.0
435.22006	9.9
436.22964	6.0
437.23965	5.1
446.20520	2.7
447.21631	3.1
449.19229	3.0
449.24170	2.0
450.24426	2.1
451.20911	6.1
453.23047	1.2
454.19879	4.6
456.22849	1.4
460.22031	1.3
461.23965	7.0
462.21341	1.7
463.21237	3.7
464.21841	2.8
465.23306	5.1
466.21896	1.4
467.24152	4.1
468.25409	2.8
476.22403	2.0
477.23239	7.7
478.23312	3.4
479.25098	7.3
480.22604	1.4
481.22177	2.4
491.20480	2.0
493.21454	8.1
494.26886	7.3
495.23334	13.1
496.24628	5.1
503.23907	1.2
507.23865	1.4
508.24728	17.5
509.25702	12.4
510.26373	12.6
511.27322	13.7
516.24750	1.5
519.23730	2.4
521.25897	7.7
522.26324	5.3
523.23138	8.0
525.28400	3.4
526.29053	4.4
537.24988	25.2
538.25848	12.4
549.24847	2.1
551.22809	2.1
553.28528	13.0
555.25598	3.3
565.24036	4.7
566.25018	2.6
570.28418	5.3
581.27509	27.2
582.26093	2.1
583.25195	7.9
595.28998	1.6
596.27667	1.1
597.27032	59.3
598.27606	10.0
607.25458	3.5
613.30151	79.1
614.30157	2.5
625.26489	100.0
626.26422	2.7
657.28900	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	656.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01855	1.5
55.05507	7.9
56.05025	0.7
57.03436	2.0
57.05790	0.8
58.06602	0.5
60.04522	3.0
61.02922	4.9
65.03933	0.4
67.04232	0.6
67.05160	0.7
67.05499	8.4
68.05010	1.4
69.03424	3.0
69.07068	2.9
69.34034	1.7
69.34460	2.1
70.06587	23.4
71.04977	1.0
72.04506	0.9
72.08141	1.2
73.02911	2.2
79.05487	7.4
80.05008	1.0
81.03427	1.9
81.05792	1.3
81.07052	7.1
82.06580	4.5
83.04969	1.7
83.07344	1.0
83.08614	4.1
84.04505	2.8
84.08140	3.1
85.02892	5.9
86.06059	1.1
86.09692	1.4
91.03955	3.4
91.05482	6.1
93.07043	5.6
94.06561	25.0
94.98945	0.4
95.04966	2.0
95.07365	2.0
95.08611	3.4
96.04497	0.9
96.08122	2.7
97.02895	4.3
97.06528	1.0
97.10172	6.6
98.06057	2.1
99.04449	0.5
99.08096	0.4
102.05512	0.4
103.05475	0.5
104.21887	0.5
105.07028	3.5
106.06567	0.4
107.04958	1.5
107.07341	1.7
107.08578	3.9
108.08094	4.9
109.02862	0.8
109.05265	3.1
109.08912	0.6
109.10159	1.2
110.06037	4.2
110.09645	0.7
111.08062	0.7
112.07576	1.6
116.07131	0.4
117.06995	1.4
119.08571	2.3
120.08109	2.9
121.02823	0.5
121.06471	0.7
121.08859	0.7
121.10130	1.7
122.06022	0.9
122.09660	5.2
123.08070	0.6
124.07576	0.9
125.09616	5.3
126.05477	1.1
127.03890	1.5
129.06952	0.8
129.10226	0.5
129.59367	0.4
131.08533	2.0
133.10126	1.0
134.05978	0.7
134.09692	1.9
135.08052	0.8
135.10428	0.7
135.11620	0.6
136.07576	2.6
136.08484	0.5
136.11189	1.1
138.09123	0.7
145.04912	0.8
145.10104	2.2
147.04401	0.4
147.08015	0.5
147.11655	1.3
148.07556	1.4
148.11160	0.7
149.08371	9.9
149.09593	1.6
152.04373	0.4
153.09076	0.7
157.10106	0.8
162.09091	2.0
162.12740	0.9
163.09909	1.2
163.11153	1.5
164.14325	0.6
173.09570	0.5
175.11194	0.9
176.14343	2.6
177.15047	2.2
178.15883	1.1
186.12691	0.6
188.14352	0.6
189.11156	2.1
190.12253	0.5
194.15446	1.4
197.11731	6.1
204.13783	4.2
205.14618	8.6
206.15343	0.6
222.14868	17.4
223.15610	1.0
224.16330	0.6
227.12775	1.2
240.15945	10.1
241.16733	0.5
245.13826	0.9
266.17511	0.5
275.05600	0.9
276.06195	0.6
296.18549	44.9
297.19257	3.3
314.19592	100.0
315.19980	1.3
332.20670	8.3
422.05746	1.1
458.24017	3.2
464.06470	0.4
476.24896	21.2
494.13995	0.6
494.25937	1.2
638.20135	0.6
638.30066	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	656.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
53.04900	0.9
55.01860	1.4
55.05498	3.2
56.05014	1.0
56.96552	1.7
57.03414	1.6
61.02909	1.9
63.59319	1.0
65.03922	2.0
67.05507	7.5
69.03429	5.3
69.07048	4.2
70.06585	6.1
71.04966	1.6
71.21323	1.9
72.08145	2.1
72.93806	1.0
79.05486	7.9
80.05008	1.7
80.05785	1.4
81.03038	1.1
81.03419	10.0
81.07047	5.6
83.04973	3.1
83.08599	1.4
83.56287	0.8
84.04501	1.3
84.08139	2.3
85.02894	4.2
85.06516	1.6
86.06081	1.1
86.09697	3.9
89.03892	1.5
91.05460	8.3
91.57413	0.9
92.04960	1.6
93.07029	10.0
94.06561	7.9
95.04945	6.3
95.07370	1.2
95.08607	2.5
96.08132	1.8
97.02898	5.2
97.06503	3.2
99.04410	1.7
103.05450	2.9
105.07010	4.1
106.06532	1.7
107.04956	1.4
107.08586	2.3
108.08109	4.7
109.02875	3.1
109.06487	1.2
109.10134	3.3
111.04418	2.1
116.04967	10.7
116.10842	1.3
117.07014	1.7
118.06519	1.6
119.08571	4.1
120.04461	2.7
120.08086	21.2
121.06461	1.6
121.10142	2.4
122.05143	1.9
122.06015	32.8
123.11724	1.4
124.07588	6.9
127.03854	3.0
129.06972	2.1
129.10271	1.5
131.08546	2.4
133.10138	1.3
134.05992	3.1
134.93092	0.8
135.04431	1.2
135.08066	2.0
135.11729	1.5
136.07564	28.6
137.05971	2.6
137.09586	1.6
138.05464	2.1
138.09044	1.9
142.16840	0.9
144.04433	17.7
144.08128	0.9
145.10097	1.5
146.05965	3.1
147.07974	1.1
147.11681	1.2
148.07555	53.6
148.12027	1.2
149.09564	1.3
150.09152	1.5
152.07033	7.3
153.01894	1.3
154.08678	1.6
157.10138	1.1
160.03874	1.7
162.05469	7.9
163.03911	1.2
163.11162	1.7
164.07025	2.2
165.09109	2.4
166.05038	1.2
166.08585	3.0
172.03912	83.8
173.04533	1.1
175.11174	1.4
180.06519	1.8
180.10156	1.8
182.08267	1.1
184.07341	1.0
186.05455	2.0
190.04956	29.9
191.10736	1.6
193.12192	2.3
194.12506	1.1
197.10657	1.5
198.07639	2.6
198.11421	1.2
204.06538	100.0
205.06848	2.0
206.09752	1.7
207.09117	3.1
208.09734	5.4
209.11554	1.4
210.07744	1.1
210.11702	1.0
212.09285	2.7
214.10768	4.7
221.10706	2.0
223.08691	3.6
223.12213	5.3
224.09409	1.8
225.10170	1.5
226.11028	1.7
227.12936	2.2
232.89896	1.0
234.09163	2.1
235.08652	3.4
236.09407	9.2
237.06535	1.6
237.10197	7.8
238.10948	2.7
239.08076	1.5
239.11809	2.0
240.08931	1.5
241.09718	3.1
249.10172	4.6
250.07097	1.5
250.11150	1.5
251.08067	9.2
251.11717	11.3
252.08783	5.5
253.09705	8.1
253.13239	1.2
254.10417	1.7
255.11200	2.4
263.08099	2.7
264.08902	9.8
265.06635	1.5
265.09677	20.9
266.06796	1.7
266.10446	6.2
267.07700	1.5
267.11261	2.7
269.09085	1.9
271.10760	1.8
276.08801	1.2
277.09647	2.7
278.07410	1.2
278.10504	4.4
279.07645	18.7
279.11255	27.2
280.08337	4.6
280.11688	1.3
281.09128	7.4
281.12662	3.2
282.09967	4.1
283.10620	2.1
292.08334	7.8
293.09149	19.9
294.09958	8.1
295.10818	4.2
296.11496	1.5
297.08926	1.9
297.12311	10.8
298.12784	1.2
299.10275	2.7
301.11856	1.8
303.04828	1.6
305.05521	1.1
307.10712	27.4
309.08881	1.5
309.12329	10.4
310.09500	3.3
311.10178	5.5
311.13821	2.0
313.11780	4.1
320.07928	4.2
321.08755	1.2
323.10321	2.6
325.11768	17.5
327.09766	1.4
327.13287	1.4
335.10416	6.6
338.08932	15.9
339.09561	1.8
339.13300	14.6
341.11264	13.5
343.12930	2.0
353.11279	52.0
358.15582	1.8
359.12317	1.3
367.12814	4.2
370.11478	1.5
371.12375	2.5
372.13284	2.6
373.13974	10.3
383.12213	1.6
385.13910	15.0
386.15009	2.5
393.10727	1.5
395.33990	1.1
402.14178	1.2
411.11801	62.8
412.12363	1.8
429.12784	19.3
443.14374	8.9
460.18457	2.6
488.18222	5.9
492.21475	1.1
494.31796	2.4
504.21350	1.5
506.18930	3.5
520.20819	8.1
530.19305	1.3
538.21722	8.5
548.11920	1.5
548.20264	28.7
549.20551	1.5
552.22491	1.2
562.21796	1.2
574.17816	1.6
580.22815	55.0
581.23047	1.4
592.19226	27.3
606.20343	1.8
624.21802	63.0
625.21649	3.0
656.33386	1.6
656.39935	1.7
657.17664	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	656.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86333	0.3
52.22332	0.4
53.03947	1.9
55.01841	1.5
55.05488	0.9
57.03430	2.4
60.56501	0.3
61.02929	3.1
65.03905	1.1
67.05498	6.8
68.99776	0.9
69.03426	11.5
69.07039	1.3
70.06554	1.3
71.01299	0.4
71.04987	2.2
72.08123	0.5
73.02911	5.0
79.05489	4.1
80.05793	0.5
80.78589	0.4
81.03408	11.9
81.05771	0.6
81.07040	2.5
82.03739	0.8
83.04962	0.9
83.08599	1.1
84.08114	0.7
85.02895	16.7
86.09669	0.9
91.05479	2.1
92.02612	3.3
93.03401	3.2
93.07050	1.8
94.06564	5.8
95.04975	3.3
95.08569	0.9
96.08115	2.0
97.02881	6.9
97.06527	3.1
99.04447	3.4
103.03915	0.8
105.06988	1.5
107.04920	0.6
107.08576	0.9
109.02868	6.4
109.10117	1.9
111.00758	1.2
111.04406	0.6
111.08033	0.5
115.03911	0.8
117.06945	0.5
119.08540	1.0
120.08086	0.6
121.02858	3.9
121.06456	0.7
121.10102	0.9
122.06023	4.8
123.04377	0.6
123.06812	0.6
123.11745	0.4
124.07571	2.6
125.05966	0.6
126.03080	1.1
127.03902	13.6
129.07002	0.8
131.04889	0.4
131.08594	0.5
133.04979	1.8
133.10065	0.4
135.04320	0.6
136.46700	0.3
137.02328	3.5
141.70468	0.3
145.04950	4.1
145.06079	0.5
145.06503	0.5
145.10080	1.1
147.11705	0.7
149.02289	0.9
149.04637	0.4
149.09563	0.4
150.05487	11.4
152.07053	8.3
153.01810	20.8
153.07227	0.4
157.10129	0.5
160.90378	0.3
161.05948	0.6
161.09586	0.5
163.03880	0.9
163.11113	0.6
165.01799	2.3
165.09081	0.9
166.02568	0.7
171.04300	0.4
173.05983	0.8
179.03404	0.4
183.02869	0.9
187.06000	8.5
193.12221	1.3
194.12469	0.5
200.04607	0.8
201.05466	2.3
203.03427	1.8
205.07056	6.1
211.13315	1.0
213.05292	0.6
217.04941	3.9
218.05719	1.0
219.02852	1.0
219.06462	0.6
224.11949	0.4
228.04144	3.9
229.02821	0.7
229.04945	8.3
229.14253	1.3
229.98401	0.4
230.14717	0.5
231.02846	1.4
232.03467	0.4
239.66245	0.4
245.04434	4.8
246.05183	4.0
247.06004	1.0
257.04446	5.5
260.03058	0.6
267.15973	2.0
268.16223	0.9
269.12341	0.9
270.12451	0.6
273.03925	5.2
274.04672	8.3
275.05396	0.7
283.15433	0.6
284.03171	1.1
285.03949	4.2
285.16974	0.5
286.04626	0.6
287.02051	0.4
301.03427	2.7
302.04178	63.1
303.04950	85.3
304.05368	2.3
313.03394	0.9
328.04480	3.0
331.04495	0.6
351.08789	0.7
353.10162	1.1
378.10028	0.5
379.08173	1.9
396.10785	0.4
406.09067	1.7
410.18292	0.4
421.25647	0.4
422.26056	1.3
424.10287	3.1
434.08704	6.5
436.50687	0.4
452.09714	100.0
453.09998	4.4
475.44006	0.5
656.32196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19770	0.3
53.03929	0.4
55.05502	1.0
57.07079	0.6
66.68823	0.3
67.05502	1.3
69.07062	0.7
69.37016	2.1
69.37438	0.8
71.04974	0.3
75.65724	0.3
79.05486	1.2
80.14592	0.3
81.03380	0.3
81.07068	1.9
83.04988	2.5
91.05489	1.5
93.07051	1.3
95.04969	1.0
95.08610	0.7
105.07027	1.1
106.02576	0.3
107.04951	0.5
107.08598	0.9
107.39436	0.3
109.10123	0.5
117.07025	0.4
119.08577	0.7
121.10154	0.3
123.08067	0.5
128.06303	0.3
129.06961	0.5
131.08572	0.8
133.10144	0.7
135.07986	0.4
147.11676	0.8
169.10120	0.3
175.01530	1.7
181.02586	1.7
225.29329	0.4
226.40532	0.3
227.04659	0.4
273.18427	0.7
291.19504	1.2
299.65137	0.3
309.20755	0.4
310.40579	0.4
313.12000	0.8
351.22687	0.3
369.18463	0.4
378.17853	0.4
390.18402	0.4
391.19174	1.2
392.20468	0.4
393.20490	0.6
405.16183	1.8
405.21188	1.1
406.21637	0.6
407.22394	4.4
408.23032	0.5
418.17545	0.7
419.18073	2.6
420.19495	1.2
421.20129	1.0
422.20923	0.4
433.15436	0.7
433.20770	4.3
434.16794	0.4
434.21063	4.3
435.21756	8.6
436.22778	0.9
446.21161	0.4
447.17676	1.3
447.22107	1.6
448.18933	1.2
449.19263	2.0
461.19205	1.2
461.24091	0.7
462.20370	5.7
463.21216	4.1
475.21487	1.7
476.21655	1.5
477.23160	1.7
479.20035	0.4
489.22714	1.1
491.24020	0.4
493.26236	0.8
494.22986	0.5
495.23779	1.3
506.23343	0.5
507.19348	0.5
508.24960	1.5
509.25394	2.3
517.22217	0.7
520.25092	0.4
521.25647	11.1
522.88361	0.4
535.26923	0.5
543.18958	1.0
549.24957	18.7
550.25354	0.6
553.24963	1.0
563.26575	3.2
564.27100	0.7
566.25531	0.3
577.24493	0.9
581.27448	3.6
595.29248	8.6
596.29358	0.5
599.25189	2.3
609.27057	10.8
623.28278	1.3
637.41138	0.9
655.31055	100.0
656.31543	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	654.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.01863	5.0
55.05294	1.4
55.05511	15.2
56.05029	5.0
56.96552	1.2
57.03423	3.9
57.07069	2.4
58.06598	1.3
60.04522	69.9
61.02915	1.6
65.03932	2.9
67.05499	43.8
68.05820	1.0
69.03426	7.9
69.07060	15.0
69.47616	3.7
69.48033	5.6
69.85052	1.4
70.06590	17.2
71.04989	17.6
72.04501	3.2
72.08153	6.1
73.02926	1.7
74.06059	3.7
77.88440	1.1
79.05488	34.1
80.05000	5.0
81.03416	25.3
81.05804	1.8
81.07050	47.1
82.06566	5.0
83.04982	5.7
83.08619	5.5
84.04480	5.1
84.08135	6.9
85.02894	11.9
85.06534	12.8
86.06078	2.9
86.09689	7.3
86.52068	1.0
87.04453	1.8
90.05580	1.2
91.03935	1.4
91.05464	21.3
93.07039	34.6
94.06556	8.9
95.04970	13.9
95.08600	54.9
96.08119	3.9
97.02891	5.4
97.06520	19.0
97.10153	1.6
98.06028	4.3
98.09684	3.6
98.21489	2.4
99.04454	2.5
99.08079	9.2
100.07586	1.3
103.05445	1.7
105.07026	24.4
107.04954	2.3
107.07349	2.0
107.08584	11.9
108.08112	1.5
108.24059	1.1
109.02873	3.2
109.06502	4.5
109.10151	14.4
110.06037	2.2
110.07169	1.9
110.09674	3.1
111.04441	2.2
111.08069	11.2
112.07598	2.1
112.11224	2.3
114.09097	1.3
117.06990	4.9
119.04949	2.2
119.08572	12.6
119.55696	1.2
120.07335	1.1
120.08073	6.0
121.02859	1.7
121.06490	4.4
121.10143	15.6
122.09662	18.1
123.04423	2.4
123.08057	45.4
123.11687	3.3
124.07579	1.3
125.06008	2.6
125.09629	2.2
126.09137	4.1
127.03894	3.5
128.10713	17.6
129.07025	3.6
129.10216	2.3
131.08571	7.9
133.04951	1.3
133.10117	10.5
135.08032	3.2
135.11694	7.9
136.07581	3.1
137.02316	2.2
137.05959	7.9
137.09621	3.8
138.09090	1.7
139.07524	2.2
140.10692	100.0
141.09088	14.1
143.08537	3.9
145.10110	7.7
147.04408	3.5
147.07993	2.5
147.11679	9.7
149.09621	3.1
149.13217	3.9
151.11179	1.9
152.07091	1.8
153.01765	1.2
153.12727	1.2
154.08604	16.5
157.10110	4.6
158.11766	19.8
159.07811	1.5
159.11710	2.9
161.09641	2.5
161.13274	3.6
163.03897	3.3
163.11104	1.8
163.14796	1.4
165.09085	2.3
169.10091	1.3
171.11668	3.2
172.09766	1.3
173.02310	1.5
173.13240	2.5
175.14836	3.8
176.12808	15.8
177.05516	1.9
185.13324	1.6
187.06073	1.9
187.07611	1.4
187.14835	2.6
194.13914	2.7
199.14908	1.6
201.16350	1.8
213.16373	1.8
215.07095	2.1
215.14310	1.3
219.17499	1.1
228.15945	5.2
265.08615	1.2
285.12180	1.3
287.05435	12.8
288.05820	3.2
298.12802	2.7
303.04883	3.7
304.05402	2.3
315.13403	1.8
316.13849	5.0
325.25519	2.3
326.52390	1.5
329.11240	1.9
335.22113	2.4
343.26352	6.3
353.23276	1.3
355.59189	1.3
361.27316	4.0
371.25668	1.9
396.27390	2.3
412.30350	3.9
414.28494	2.6
424.30341	2.1
428.30081	2.4
430.31076	2.7
442.31839	1.7
451.10291	1.5
462.11459	2.3
462.18549	2.1
470.16522	4.6
473.15463	2.8
476.33383	1.8
492.20026	1.6
502.38889	2.3
504.36362	1.4
510.35461	1.7
520.40057	7.1
528.36603	3.9
538.40851	5.9
546.37891	17.7
564.38947	49.5
582.39948	92.6
583.40070	2.3
600.41016	70.9
618.42114	42.3
636.43256	29.1
654.27386	3.0
654.43872	3.1
655.21564	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	653.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15239	0.2
55.01822	2.0
60.04480	0.3
65.68642	0.3
67.05476	0.4
69.03394	0.7
69.07047	1.7
69.58865	1.5
70.06587	2.0
71.04949	0.3
72.08102	0.5
73.02876	0.4
79.05428	0.6
81.03391	0.5
81.07003	0.5
82.06535	0.3
83.04932	0.4
83.09548	0.3
84.04461	0.5
84.08080	0.6
85.02839	0.8
86.06016	0.3
86.09647	0.8
87.04432	0.4
89.05984	1.2
91.05418	0.6
93.06969	0.7
94.06505	1.1
95.04897	0.8
95.08566	0.5
96.04426	0.4
97.02874	0.6
97.06469	0.7
97.41512	0.2
97.66529	0.3
98.05987	0.3
104.58749	0.3
105.06986	0.4
108.04390	0.8
108.08054	1.2
111.04362	0.4
112.07555	0.5
118.06478	0.6
119.08529	0.3
120.04425	0.3
120.08100	2.7
122.05969	0.7
122.09624	0.4
123.08005	0.4
124.07569	0.3
127.03911	0.3
129.06917	0.3
129.10190	0.3
133.08539	0.7
134.05998	0.4
136.07561	2.7
137.05916	0.6
138.05444	0.6
138.09067	0.8
140.07047	3.8
140.10605	0.3
146.05943	1.0
146.08394	0.5
147.06673	0.6
148.07570	6.2
150.05428	0.3
152.07022	0.4
154.08604	0.4
156.06468	1.2
158.09572	0.6
160.07498	0.6
164.07008	0.6
166.08580	0.6
167.06990	0.6
168.05376	0.3
168.06577	4.0
170.09592	0.4
172.07574	0.3
172.11026	0.3
173.07062	0.5
174.05440	1.0
174.07813	0.9
174.09119	0.5
175.08635	1.3
176.06967	0.4
178.08662	0.5
182.09673	0.4
184.09814	0.3
188.07127	0.4
189.10175	0.5
193.09819	0.3
196.11278	0.4
197.10678	0.5
198.09239	1.4
198.12791	0.5
199.08675	4.4
199.12283	1.0
200.06905	0.3
200.09225	0.3
201.10234	0.3
202.08621	0.4
204.08727	0.8
204.10397	0.4
205.09727	1.4
206.08200	1.2
206.09978	0.5
210.09258	0.5
210.11443	0.4
211.12225	0.5
212.09392	1.0
213.10223	2.3
213.13730	0.3
214.09058	0.3
214.10915	1.3
215.11783	1.6
216.10057	0.3
217.09706	0.6
221.10722	0.3
223.12361	0.3
224.10745	0.8
225.10172	4.6
225.13741	0.3
226.08905	1.4
226.10741	0.6
226.12549	0.4
227.08240	2.1
227.11749	7.0
228.12495	0.8
232.09682	1.4
235.10692	0.3
237.10220	0.4
238.08630	0.5
239.11801	1.8
240.08849	0.7
241.09660	1.8
241.13330	2.0
242.10378	1.2
243.11191	2.7
243.14911	0.7
251.11749	0.6
252.10153	0.8
254.10461	0.6
255.11255	18.7
256.11868	0.5
257.12823	2.3
259.10672	0.3
259.14459	0.4
267.11301	3.0
269.12836	6.5
271.10800	0.9
272.11536	2.2
273.12402	0.5
275.13879	2.1
281.12866	0.4
285.12308	3.4
287.05426	1.1
287.10883	0.5
287.13879	7.4
289.11798	0.5
290.12354	0.8
297.12299	7.8
298.10376	0.4
299.13751	0.6
303.05069	1.7
303.13342	6.5
313.11871	0.4
315.13339	100.0
316.13690	1.9
321.14243	1.5
355.16449	0.5
371.15802	0.4
373.17615	0.8
383.15942	0.8
399.15378	0.6
400.15903	0.6
401.17047	4.0
449.07355	0.4
466.19373	0.5
580.38177	0.4
589.26178	0.6
590.25024	0.4
607.27838	0.7
617.25946	2.8
635.27020	21.4
636.27014	0.6
653.28125	22.7
654.28241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1711
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
52.88083	0.3
53.03904	1.5
55.01829	1.4
57.03430	3.1
60.04491	0.5
61.02922	3.7
67.05474	0.4
68.99772	0.8
69.03422	9.3
69.69144	2.1
70.06583	3.1
71.01309	0.6
71.04986	10.6
72.08127	0.7
73.02913	7.7
76.99254	0.4
79.05445	0.8
81.03414	8.7
81.07008	0.5
82.73269	0.3
83.01305	0.6
83.04942	1.4
84.08121	0.9
85.02898	26.7
86.09667	1.3
87.04411	0.4
91.03909	0.5
91.05475	0.6
93.07040	0.5
95.04922	1.0
95.08565	0.5
97.02887	6.8
97.06480	0.6
98.98186	0.4
99.04449	3.0
103.03955	2.1
103.05420	0.4
105.06989	0.5
107.04927	0.7
109.02867	7.2
111.00749	1.5
111.04379	1.0
115.03864	1.2
119.04846	0.4
120.08080	0.8
121.02869	4.6
123.04315	0.6
127.03907	18.2
129.05464	2.2
129.10185	0.6
130.70531	0.4
133.02803	0.7
133.04951	4.4
136.07581	0.6
137.02344	2.8
137.05907	1.0
140.10626	0.6
145.03899	0.6
145.04948	7.3
147.04424	0.7
153.01823	5.2
163.03844	0.7
165.01811	3.1
169.04893	0.5
171.04449	0.5
175.03966	0.6
183.02835	1.0
185.05928	0.4
187.06003	14.6
189.05418	0.4
195.06592	0.5
201.05408	0.8
205.07065	12.6
213.05411	1.6
229.04836	2.5
231.06607	0.5
241.04910	0.8
247.05879	0.5
257.04382	1.6
258.05185	1.2
259.05838	0.4
274.04639	0.5
283.06082	0.6
285.03833	1.1
286.04669	0.5
287.05472	100.0
288.05750	2.1
297.07239	0.5
299.05588	3.8
300.06326	0.6
303.04968	55.6
304.05322	1.2
311.05359	2.3
315.04980	1.6
325.07013	1.9
327.04941	0.7
329.06540	6.4
333.11804	0.4
339.08701	0.5
341.06427	0.6
345.06018	1.7
349.07141	0.9
349.11301	0.4
353.06494	4.4
365.11792	0.4
369.06067	1.4
377.06631	1.1
393.06015	0.5
395.07501	4.2
411.06958	1.0
431.10046	0.4
449.11026	0.8
455.09525	0.4
473.10812	1.1
489.10318	0.6
491.11673	2.7
507.11334	1.4
653.24268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1707
Annotation	Quercetin 3-(6'''-acetylglucosyl)(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03942	1.9
55.01870	1.0
55.05490	0.3
57.03436	1.9
58.31490	0.2
59.04993	0.3
59.50806	0.2
60.04524	0.3
61.02910	0.8
65.03947	0.4
67.05499	0.3
68.99793	0.4
69.03069	0.3
69.03426	6.0
69.07065	0.2
69.83892	0.6
69.84304	0.6
70.06588	2.2
71.01333	0.4
71.04990	9.4
72.08160	0.4
73.02915	1.1
75.04468	0.5
78.59371	0.2
79.05489	0.4
79.68554	0.2
81.03413	7.9
81.04987	0.2
81.07038	0.3
83.04968	1.3
84.08118	0.3
85.02900	15.3
86.09729	0.2
87.04425	0.3
93.07043	0.3
95.04951	0.6
95.08585	0.4
97.02887	4.0
97.06502	0.3
98.06078	0.2
99.04437	1.6
103.03916	0.9
105.06999	0.4
105.67196	0.2
108.29977	0.2
109.02875	7.3
110.06048	0.2
111.00801	0.5
111.04429	0.9
113.06065	0.2
115.03901	0.2
118.06470	0.2
120.08070	0.6
121.02871	0.8
122.06013	0.2
123.04362	0.3
123.08067	0.3
127.03909	5.9
129.05469	2.7
130.92577	0.2
133.04976	0.3
135.04414	0.3
136.07593	0.3
137.02350	2.2
137.05948	0.3
139.03862	0.2
140.07054	0.3
140.10677	0.4
145.04926	1.2
146.06006	0.6
147.04401	0.3
147.06480	0.5
148.07570	0.6
149.02318	0.5
153.01811	3.1
161.05971	0.4
163.03906	0.5
165.01817	1.5
168.06606	0.4
169.04930	0.6
171.06476	0.3
172.11087	0.2
173.05957	0.3
174.05521	0.2
179.03363	0.2
183.02882	0.5
187.06006	6.2
195.02975	0.3
199.08649	0.4
201.05504	1.0
205.07100	0.9
214.10959	0.2
225.10275	0.4
226.08775	0.3
227.08142	0.3
227.11777	0.7
229.04921	2.8
237.07581	0.7
247.05963	0.5
255.11229	1.8
257.04425	2.8
257.12918	0.3
259.60364	0.2
267.10974	0.3
269.12769	0.8
272.11609	0.3
274.04654	0.8
274.58124	0.2
285.03937	1.3
285.12393	0.4
287.05417	0.9
287.13937	0.8
297.12344	0.8
299.05591	0.2
302.04138	0.2
303.04968	100.0
304.05276	1.5
315.05475	0.5
315.13367	10.7
315.17059	0.5
327.05060	0.4
345.06009	0.8
369.05969	0.3
401.16922	0.6
411.07101	0.3
449.10742	0.6
507.11115	1.1
539.22321	0.3
599.39209	0.2
617.26532	0.4
634.40594	0.2
635.27045	2.9
653.27924	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	653.1707
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03946	0.6
55.01836	0.3
56.04985	0.1
57.03434	0.9
58.92574	0.1
60.04491	0.1
61.02913	1.8
66.96876	0.1
68.99773	0.4
69.03424	4.1
69.07040	0.1
70.06588	0.9
70.67347	0.3
71.01299	0.2
71.04985	1.1
72.08117	0.4
73.02909	2.8
74.06026	0.2
79.05459	0.2
81.03410	3.6
81.07019	0.1
83.01303	0.3
84.08104	0.2
85.02898	8.1
86.09658	0.4
87.04417	0.2
90.83880	0.1
91.03907	0.1
91.05486	0.1
95.04911	0.2
97.02297	0.2
97.02880	2.9
99.00803	0.1
99.04443	1.9
103.03935	0.5
105.03345	0.3
107.04905	0.3
109.02869	3.2
110.07060	0.1
111.00814	0.6
111.04386	0.2
115.03905	0.6
116.26713	0.1
120.08097	0.2
121.02858	2.0
123.08015	0.1
123.70698	0.1
127.03902	7.1
129.05467	0.2
129.06932	0.1
129.10205	0.2
133.02815	0.4
133.04945	1.7
133.10132	0.1
135.04385	0.2
136.07536	0.2
137.02327	0.7
137.05872	0.1
140.10660	0.2
141.06917	0.1
145.03893	0.2
145.04950	2.9
145.06207	0.2
147.04359	0.4
153.01810	2.9
157.06461	0.3
157.09918	0.1
161.05933	0.2
163.07562	0.1
165.00731	0.1
165.01842	1.6
168.07767	0.1
171.04311	0.2
176.12749	0.1
183.02914	0.6
185.05920	0.4
187.05989	5.8
197.06018	0.2
202.15846	0.1
205.05136	0.2
205.07066	4.3
213.05479	1.1
223.75046	0.1
229.04866	0.1
231.06499	0.6
241.04866	0.8
247.45676	0.1
258.05243	0.9
259.05991	0.5
269.03986	0.1
287.05466	100.0
288.05759	1.5
299.05270	0.2
303.04910	1.9
315.13455	0.5
329.06610	0.5
353.06290	0.2
449.10767	14.9
450.11145	0.4
563.37213	0.1
635.27350	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	653.1709
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03931	0.6
55.01861	0.2
57.03413	0.6
61.02929	1.0
67.52791	0.1
68.99765	0.3
69.03424	3.4
69.25674	2.0
70.06589	0.4
71.04984	0.3
73.02911	1.7
73.29942	0.2
81.03419	3.1
83.01331	0.2
85.02900	5.4
85.61559	0.2
97.02895	2.3
99.00809	0.2
99.04439	0.9
103.03967	0.2
105.03362	0.5
107.04968	0.2
109.02880	1.7
111.00813	0.4
115.03906	0.4
117.58361	0.2
121.02871	1.9
121.92859	0.2
127.03920	4.6
133.02852	0.4
133.04947	0.5
135.07959	0.2
137.02309	0.5
145.04955	1.7
145.06075	0.2
145.06445	0.1
147.04358	0.5
153.01825	2.4
157.06432	0.2
165.01822	1.3
171.04323	0.2
183.02864	0.9
185.05893	0.3
187.06027	2.8
205.07155	1.0
213.05437	1.1
231.06505	0.6
234.96272	0.2
241.04875	0.9
258.05212	1.1
259.05933	0.3
287.05475	100.0
288.05762	2.0
299.05484	0.2
329.06491	0.3
353.06583	0.2
383.03564	0.2
395.07538	0.2
449.10782	8.0
450.11240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.9
53.61295	2.6
55.01848	6.7
55.05506	26.9
57.03419	11.5
57.07060	13.0
58.07383	3.1
64.60401	2.9
65.03914	3.5
67.05500	100.0
69.03420	23.5
69.07054	15.2
71.04965	9.4
71.08623	7.2
71.60954	5.8
78.51857	2.5
79.05492	29.7
81.03412	69.6
81.07052	58.9
82.66902	2.5
83.04984	27.4
83.08607	18.0
85.02897	6.6
85.06552	3.2
85.10199	4.0
91.05460	31.0
92.12856	3.1
93.07040	36.3
95.04946	7.2
95.08605	51.2
97.02891	19.3
97.06506	4.9
97.10147	16.7
99.04436	5.1
105.07025	23.4
107.08567	24.1
109.02876	7.3
109.06501	5.7
109.10146	50.5
111.04420	15.5
111.08075	5.0
117.07007	7.4
117.61723	2.7
119.08578	21.3
121.10151	18.2
123.08075	2.7
123.11701	7.9
125.09615	13.4
127.03877	7.5
129.05449	8.9
129.06989	7.5
131.08601	14.7
133.06425	3.0
133.10107	14.4
135.08029	6.5
135.11659	9.3
135.35704	2.7
137.09654	3.2
139.11295	2.7
140.30919	2.7
143.08522	7.4
145.10118	12.0
147.08000	3.8
147.11673	11.8
149.13193	5.7
155.08530	4.0
157.10081	5.8
159.11679	10.7
161.13235	3.9
169.10149	4.2
171.11673	7.5
173.09557	4.4
173.11708	13.0
173.13190	5.9
176.40204	3.1
181.10165	3.8
183.11720	4.0
184.07384	6.0
189.11182	12.5
189.12662	4.4
215.14311	3.4
219.13864	3.7
227.12726	18.4
229.14264	15.9
239.69025	2.8
245.13753	3.5
252.40494	3.7
261.22055	8.6
274.15253	3.6
283.13641	3.1
301.21674	3.8
302.14624	3.2
313.27133	2.9
335.25818	6.5
337.27341	13.4
351.23026	3.6
369.24127	8.3
371.16791	6.3
387.25275	4.3
405.26376	3.0
489.35449	6.5
507.36789	6.3
615.40186	8.0
633.40045	18.7
650.00745	3.5
651.42468	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	650.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.7
57.07072	0.4
58.06616	0.4
59.07390	0.2
60.08157	6.7
63.37313	0.1
67.05486	0.6
70.74027	0.3
70.74413	0.3
71.07366	3.4
78.91397	0.1
86.09698	31.3
95.08613	0.2
98.98455	3.2
104.10732	2.2
109.10148	0.5
116.99488	0.2
117.15688	0.1
124.99993	20.5
130.41051	0.1
137.09543	0.1
143.01073	0.5
184.07323	100.0
185.07707	0.3
188.45160	0.2
323.57251	0.2
381.32291	0.1
397.48636	0.1
509.38483	0.1
650.43890	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	651.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
53.42453	2.6
55.01863	5.3
55.05507	35.2
57.03421	11.3
59.04996	3.0
65.03934	2.7
67.05502	100.0
69.03419	27.4
69.07066	14.8
70.95602	2.6
70.95943	6.6
71.04979	8.8
72.08150	3.1
79.05490	42.1
81.02969	5.1
81.03412	67.3
81.07053	67.8
83.04544	3.3
83.04984	33.1
83.08614	18.0
85.02885	4.0
91.05479	28.4
93.07031	37.4
95.04956	12.6
95.08600	41.2
97.02878	20.0
97.06532	5.8
97.10184	17.5
99.04429	6.7
105.07028	23.8
107.04951	4.6
107.08589	27.7
109.02868	13.4
109.06477	4.4
109.10155	55.2
111.04447	11.6
114.74767	2.6
117.06999	9.3
119.08559	21.5
121.10135	21.9
123.11678	8.4
125.09634	15.7
127.03888	9.2
129.05484	17.5
129.06990	8.0
131.08559	18.4
133.10129	15.1
135.11684	14.0
137.09634	4.3
137.13272	4.1
143.08536	7.8
145.10123	10.8
147.08139	3.3
147.11681	10.4
149.13245	6.8
151.11168	2.9
155.08527	3.4
155.10669	3.9
157.10143	7.1
159.11711	8.1
161.13214	5.1
163.14799	3.2
165.42564	2.4
171.11670	5.0
173.10399	2.5
173.11755	14.1
173.13225	7.8
173.14658	2.6
175.14816	3.3
181.71213	2.6
185.13324	4.5
189.11317	12.9
197.13058	3.2
227.12755	21.6
229.14320	24.4
245.13916	6.1
261.22125	10.0
263.23480	3.9
299.15002	3.1
301.21777	4.1
335.25751	12.7
337.27332	19.0
351.23083	7.6
369.24268	7.3
371.16974	8.9
373.18713	4.4
387.25229	3.9
399.37897	2.6
404.39676	3.2
461.29034	4.2
489.35663	8.6
507.36819	7.3
597.37781	5.4
615.38434	4.8
633.39313	16.3
651.40485	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	649.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.3
57.03455	0.2
59.50872	0.2
60.04519	0.2
60.21595	0.2
67.05504	0.2
69.64552	1.3
69.64978	0.3
70.06591	2.9
71.04980	0.3
72.08149	1.4
81.03413	0.3
84.04500	0.6
84.08141	1.9
85.02905	0.6
86.09692	1.0
91.05489	0.4
95.04940	0.3
95.06112	0.2
96.08124	0.2
97.02863	0.2
102.05475	0.2
109.02839	0.2
110.07147	0.6
116.98636	0.2
117.91078	0.2
120.08083	0.5
129.10271	1.0
136.07503	0.3
144.90956	0.2
146.82765	0.2
147.04376	0.2
157.10141	0.2
163.03778	0.2
185.04292	0.5
203.05229	1.7
259.07825	1.7
269.12552	0.4
303.05029	0.6
305.08521	0.3
325.16202	2.0
331.10083	0.3
342.06058	0.5
347.09439	1.4
365.10483	3.1
377.01773	3.3
378.02423	0.2
395.02893	1.6
419.02173	0.3
421.13205	1.4
487.21466	21.8
488.21909	0.7
547.07477	0.3
649.11646	4.4
649.26715	100.0
650.11786	0.7
650.27094	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	649.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01865	3.9
55.05516	13.6
56.17279	1.3
57.03424	5.1
57.07072	1.6
59.05009	1.4
61.02918	3.3
65.03947	2.2
67.05500	31.1
69.03430	9.1
69.07060	7.6
70.06597	2.1
71.04991	4.0
71.60728	1.6
72.08137	1.5
73.02903	2.9
79.05489	15.2
81.03416	13.6
81.07056	21.4
83.04972	4.8
83.08625	5.7
85.02905	5.7
85.06561	1.8
91.03979	1.4
91.05470	16.1
93.07032	16.7
95.04980	6.7
95.08607	12.6
97.02865	7.8
97.06509	2.3
97.10162	5.8
97.59505	1.1
99.04455	1.8
102.48676	1.2
105.07021	14.4
107.08595	11.0
107.45527	1.3
109.02869	2.5
109.06507	3.4
109.10142	16.4
110.10402	1.1
111.04409	1.7
111.08066	2.8
115.05473	1.2
117.07024	6.2
119.08591	13.8
121.06518	1.3
121.10137	7.3
123.08073	3.9
123.11716	2.1
125.05997	1.6
125.09625	6.1
127.03920	4.0
129.07016	5.9
131.08551	11.8
133.10123	10.1
135.08035	1.9
135.11731	4.2
137.09666	1.2
141.06989	2.3
143.08604	6.9
145.06462	2.0
145.10123	12.4
147.11670	6.7
149.09601	2.9
149.13226	1.4
151.07547	3.7
155.08594	4.0
156.09396	1.3
157.10178	7.7
159.08064	2.8
159.11703	8.2
161.09683	2.1
161.13269	4.7
163.11134	2.1
165.09064	1.6
169.10184	3.8
171.11714	5.8
171.13023	1.5
173.11751	6.2
173.13271	4.4
175.11226	2.4
181.10088	3.5
183.11742	4.3
185.13292	4.9
187.11093	1.5
189.11224	3.3
189.12811	1.7
193.10269	1.2
195.11702	2.3
197.13257	3.6
199.14809	2.2
201.12723	1.5
207.13820	1.5
209.13300	2.6
211.14861	1.7
219.15228	1.4
221.15439	1.4
225.12871	1.7
227.12750	3.3
229.14301	6.2
241.19295	1.2
245.13922	1.9
257.18994	1.5
259.20645	3.8
261.22165	3.4
271.20401	2.2
275.20142	1.3
283.15198	6.5
291.19739	1.3
295.20520	1.3
297.22009	1.5
301.21411	1.9
315.23068	1.7
333.20319	4.8
333.23923	1.9
339.17804	2.1
349.21533	2.2
351.22958	2.0
367.22678	3.4
369.24121	1.9
371.16739	1.7
373.18359	3.3
389.23169	3.8
395.29248	1.7
469.16489	2.1
477.28531	1.5
487.34250	25.4
488.34689	1.9
595.36401	4.4
613.36932	4.0
617.23895	9.7
631.37994	7.3
649.26147	71.8
649.38934	100.0
650.26447	11.5
650.39301	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	649.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
53.85081	0.7
55.01861	1.8
55.05490	3.2
56.96547	1.2
57.03418	3.1
58.08643	0.8
59.04999	0.7
61.02916	4.7
65.03912	1.6
67.05492	4.0
68.99779	1.2
69.03423	11.9
69.07055	1.7
69.39325	1.5
69.39724	6.0
70.06579	3.1
71.04972	2.4
72.08102	0.8
73.02900	4.7
79.05470	2.5
81.03408	10.9
81.07037	2.5
83.04967	7.8
83.08591	0.9
84.08135	5.7
85.02895	18.7
85.06506	1.1
85.58147	0.7
86.09702	1.5
87.04457	1.1
91.05465	2.9
92.02618	2.0
93.03411	3.6
93.07025	2.6
95.04953	2.6
95.08604	2.1
96.08121	1.2
97.02884	6.9
97.06498	2.3
97.36343	0.7
99.04446	3.5
101.06020	7.6
105.07030	1.4
107.08582	2.3
108.14013	0.7
109.02874	4.7
109.10155	1.7
111.04425	9.2
115.03896	1.3
115.05408	1.2
118.46416	0.8
119.08551	1.6
120.08069	2.2
121.02873	2.5
121.06461	1.7
121.10115	1.5
125.09621	0.9
126.03091	0.9
127.03902	12.7
129.06982	0.7
129.10245	0.9
133.04929	1.6
133.10121	1.5
135.08009	0.9
136.06189	1.2
137.02307	1.5
141.06949	0.8
143.07047	1.4
145.04922	5.4
145.10069	1.9
147.04401	1.2
149.09663	0.9
153.01808	18.2
157.10149	0.9
161.05971	1.0
162.05481	1.9
163.03938	1.8
165.01823	1.0
165.09091	0.8
173.09715	0.8
187.06006	5.8
189.05470	1.6
203.03418	1.8
205.07065	2.7
213.10201	0.9
217.04962	10.1
217.64369	0.9
218.05910	1.7
228.04121	3.2
229.04959	4.2
231.02925	1.6
233.35820	0.7
241.04958	1.0
241.09676	1.8
243.11205	1.6
245.04434	13.9
245.06741	1.2
246.05283	4.2
253.09697	1.5
255.06520	0.9
257.04446	2.6
257.12979	0.8
260.03085	1.0
261.12561	0.8
269.04483	1.0
269.12787	2.2
273.00919	0.9
273.03894	18.7
274.04633	7.0
283.06158	1.2
285.03946	1.3
287.05542	1.1
287.10123	3.7
297.12366	1.6
299.10327	1.4
301.03409	46.7
302.04187	30.4
303.04987	23.9
311.05533	1.2
313.03415	2.6
313.11777	1.6
315.13416	2.3
317.11337	2.7
325.07037	1.9
339.05042	1.1
339.08698	1.5
341.06549	1.2
349.07040	0.9
353.06522	24.0
367.08139	10.0
377.06671	0.9
383.22269	1.1
383.32870	1.4
395.07678	2.7
401.23468	1.4
406.17822	1.3
413.08600	13.7
427.10214	52.9
436.18488	1.1
445.11264	100.0
563.28406	1.8
583.22058	1.1
589.26245	1.2
601.22693	2.8
613.23151	1.1
617.26074	2.5
631.23755	0.9
649.29114	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	646.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49195	0.8
55.05506	4.1
57.03415	0.8
57.06815	1.2
57.07074	14.1
64.46423	0.7
66.54015	0.7
67.05502	9.1
69.03415	1.2
69.07073	3.8
69.22742	0.8
71.04987	0.9
71.08273	1.1
71.08630	11.3
79.05482	4.0
81.03414	31.5
81.07053	9.9
83.08621	9.0
85.06538	1.3
85.09731	1.0
85.10163	6.0
90.54926	0.9
91.05480	7.5
93.07033	2.5
95.04962	8.7
95.08604	10.8
97.10165	3.0
105.07016	4.7
107.04935	2.0
107.08589	1.9
107.43716	1.0
109.10162	5.1
111.08071	3.1
113.77734	0.9
119.08582	5.7
121.06528	1.0
121.10137	2.5
123.11707	2.2
128.06175	0.8
129.06984	3.5
131.08534	3.2
133.10143	2.1
142.07825	1.4
147.08035	2.2
147.11691	1.3
149.09587	1.0
157.10080	4.0
175.11171	2.8
193.12254	8.1
229.22888	0.8
230.63443	0.8
236.16347	6.5
236.62209	0.9
236.64461	0.8
239.23688	2.2
249.14799	2.5
267.15900	1.1
313.27264	2.5
317.43066	0.9
505.38861	100.0
506.39047	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	645.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80534	0.3
53.03928	0.9
55.05492	0.7
65.03928	0.9
66.03445	0.7
66.60999	0.4
67.05484	1.5
69.03400	0.7
69.07075	0.4
70.06593	2.0
70.16597	0.8
70.16995	1.5
72.08141	1.1
79.05461	1.0
81.03407	1.1
81.07036	1.5
82.06574	0.7
84.08132	0.8
85.02903	0.8
86.09679	1.2
91.05441	1.4
93.03377	1.6
93.07047	2.1
94.06567	3.1
95.04941	1.2
95.07340	2.3
95.08572	0.9
96.08119	4.6
97.02855	1.1
97.06508	1.4
98.20812	0.5
105.06998	0.9
106.06536	0.8
107.08561	0.6
108.04477	0.9
108.08101	2.7
109.06523	0.4
109.08897	0.4
109.10128	0.7
110.08972	0.7
110.09673	6.4
111.08102	0.4
112.78278	0.4
115.05563	0.4
116.04996	0.8
118.06548	0.9
119.08560	0.6
120.04444	1.5
120.08099	5.1
121.06479	0.4
122.06033	4.5
124.07577	6.1
127.03868	0.5
129.06958	0.5
131.08582	0.5
134.06015	1.9
135.06819	0.6
136.07579	4.1
138.09120	9.0
143.08575	1.0
144.04472	1.0
146.05995	28.2
147.04364	0.5
147.06699	0.7
148.07555	2.0
150.05452	1.2
152.07021	1.1
153.07005	0.6
154.06454	0.6
155.08498	0.6
157.08830	0.5
157.10086	0.6
158.06003	0.8
160.03920	1.1
160.07553	1.2
161.07146	0.7
162.05452	1.2
162.09209	0.6
166.08624	13.8
167.09392	0.9
169.08968	0.7
170.09628	3.9
172.03902	4.8
172.07559	1.3
172.09943	1.0
172.11244	1.4
174.09076	0.6
175.08656	1.5
183.06738	0.6
184.11237	0.9
186.09120	1.0
187.12288	5.0
188.10690	0.8
189.12775	0.4
190.04980	12.4
197.08354	0.5
197.10744	0.6
198.09140	24.2
199.08537	0.9
199.12300	0.5
200.07686	0.6
200.09084	2.4
200.10753	1.7
204.64897	0.5
209.10707	0.5
212.10803	4.2
213.10234	1.3
214.08801	0.4
215.11765	19.5
225.10239	0.7
226.08633	7.0
227.08167	1.4
227.11789	1.9
228.08856	1.0
229.09624	0.4
229.13428	0.8
231.11230	0.8
239.11734	0.8
240.10429	3.1
241.09621	2.1
241.13350	1.3
242.10475	2.4
243.11270	100.0
244.11589	1.2
253.13387	1.2
255.11278	6.1
256.12012	1.7
257.12875	6.1
264.49109	0.4
267.11365	1.0
269.08884	0.6
271.14471	2.4
281.12863	0.9
283.10785	1.2
284.11533	1.2
285.12314	96.3
286.12759	1.1
297.12408	0.7
299.13879	13.4
301.11810	5.5
302.12500	1.4
303.13367	86.1
304.13705	0.9
325.11807	2.1
326.13608	0.6
328.14468	0.5
343.12897	1.3
400.16534	0.7
412.16513	0.9
413.15063	0.6
418.17438	2.5
430.17502	2.6
436.18784	2.4
448.18457	0.8
462.16550	1.2
468.74243	0.5
474.16684	1.6
483.22168	2.3
565.24500	0.7
576.21136	0.5
583.25421	10.6
627.24158	1.0
645.27112	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	645.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
55.01881	1.0
55.05517	1.5
56.96572	1.1
59.70136	0.5
61.02924	0.7
65.03926	0.9
67.05498	3.4
68.05865	0.5
69.03432	2.0
69.07072	1.3
70.06591	3.6
70.73391	0.9
70.73741	1.0
71.04991	1.6
72.08162	1.6
79.05502	2.1
80.05013	0.7
81.03416	3.6
81.07033	2.7
82.06599	0.6
83.04971	3.6
84.04524	0.8
84.05352	0.5
84.08160	1.5
85.02910	2.2
86.09716	2.0
91.03949	0.6
91.05486	2.1
93.07046	4.1
94.06548	2.6
95.04973	2.3
95.07352	1.7
95.08616	1.9
96.08123	4.3
97.02898	2.0
97.06499	3.0
99.04403	0.6
101.06002	0.8
103.05471	0.8
105.07026	1.2
106.06555	0.7
107.04947	1.2
107.08595	1.3
108.04494	2.0
108.08111	2.3
109.02884	2.1
109.06517	1.0
109.10146	4.2
110.07098	0.5
110.09683	5.5
110.10417	0.8
117.07044	0.8
118.06535	0.6
119.08588	1.3
120.04449	3.8
120.08095	5.3
120.51400	0.6
121.02824	0.6
121.06544	1.0
121.10178	0.7
122.06042	3.7
124.07568	5.8
125.05994	1.1
125.09586	0.6
127.03907	1.5
129.06987	0.9
129.10223	0.7
131.08591	1.1
133.10083	1.2
134.06017	1.3
135.08047	0.7
136.07568	5.4
137.05986	0.8
137.09595	5.8
138.09108	9.6
138.10017	1.7
143.08597	1.0
144.04443	1.2
144.08052	0.6
146.05995	12.3
147.04405	2.3
147.06648	0.6
147.08076	0.5
147.11635	0.7
148.07590	1.9
149.06111	0.6
149.09578	1.0
150.05504	2.3
151.07576	0.8
152.07042	1.2
155.08575	1.0
155.10733	0.6
157.10161	0.8
160.07602	1.0
161.09602	0.7
162.05513	1.5
163.03915	1.1
163.07571	1.1
165.09103	6.2
166.08543	11.0
167.09380	1.1
169.08923	0.8
170.09631	3.6
172.03922	3.4
172.07552	1.0
172.11192	1.3
174.09146	1.2
175.08765	1.3
180.08032	0.8
183.06815	0.8
186.09132	0.5
187.08810	0.8
187.12292	4.4
190.04967	11.6
198.09119	23.6
200.09445	1.8
200.10834	1.9
201.11238	0.7
203.05299	0.8
210.09187	0.7
212.10800	4.1
213.10110	0.5
215.11786	18.7
215.13867	1.0
225.10162	1.4
226.08690	6.3
227.08197	1.0
227.11775	1.7
228.08893	0.7
229.13438	1.8
231.11252	0.9
239.08287	0.6
239.11716	1.5
240.10294	3.1
241.09634	1.9
241.13394	1.5
242.10452	1.8
243.11275	100.0
244.11707	1.5
253.09874	0.7
253.13344	1.2
255.11334	5.7
256.12012	1.0
257.12839	5.3
259.09903	0.7
267.11240	1.0
269.09070	0.9
271.10843	0.7
271.14340	0.9
273.12277	1.0
279.11386	0.7
283.10767	1.1
285.12320	96.1
286.12668	2.0
297.12463	0.6
298.93436	0.6
299.13858	8.0
300.14709	0.7
301.11771	5.7
302.12439	0.7
303.13367	91.2
304.13843	1.7
309.13019	0.7
310.13574	0.7
313.11920	1.0
324.10168	0.6
325.11838	1.9
329.11642	0.6
355.12656	1.1
365.10788	0.7
379.17804	1.3
379.24313	0.8
381.10165	0.7
397.25592	5.8
418.17365	0.8
421.13077	0.8
427.19522	1.1
428.19852	2.3
430.17096	0.7
436.18512	3.5
448.18710	3.3
453.02567	0.7
474.16370	1.5
483.21976	9.0
565.24304	0.9
583.25281	1.6
601.31128	1.7
609.22858	0.7
627.24194	2.6
645.27124	32.9
646.26630	0.8
650.63409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01865	1.3
55.05509	4.6
56.65214	0.5
57.03434	4.8
61.02927	7.3
65.03954	0.7
67.05502	6.0
69.03418	2.1
69.07063	2.3
70.03193	1.5
70.03610	2.0
70.06584	3.7
71.04980	1.4
72.08143	1.0
73.02901	3.3
73.96648	0.5
75.04473	0.6
79.05481	7.7
79.54466	0.6
81.03410	32.4
81.07045	8.5
83.04987	6.5
83.08130	0.9
83.08613	12.0
84.08131	1.6
85.02417	1.0
85.02898	16.0
85.06526	0.9
86.09677	1.8
91.03962	6.0
91.05473	11.1
93.07037	4.8
95.04970	10.8
95.08611	4.3
97.02887	5.6
97.06526	1.9
97.10150	1.6
98.20835	1.2
99.04458	1.0
105.07028	7.7
107.04934	3.5
107.08580	2.6
108.08132	0.7
109.06498	1.5
109.10181	1.2
111.04476	1.0
111.08080	5.5
113.06021	1.0
115.03919	0.6
115.05448	0.7
119.04987	0.8
119.08563	7.7
121.02899	0.8
121.06454	1.1
121.10127	3.2
123.08094	1.0
123.11655	1.2
127.03898	2.7
129.06995	4.7
129.10223	0.8
131.08565	4.5
133.06454	1.1
133.10117	4.7
134.58958	0.6
137.05959	1.7
137.09541	0.8
138.09210	0.6
142.07790	1.1
145.04993	3.1
145.10112	0.9
147.08096	1.2
147.11693	7.5
149.09581	2.3
157.10123	7.7
158.45842	0.6
163.06029	5.3
163.11136	0.6
165.12730	1.6
165.97020	0.7
170.90714	0.7
175.11186	8.3
180.41518	0.6
193.12230	34.9
211.13269	29.2
215.81790	0.6
228.05791	0.6
229.14265	1.0
257.86694	0.6
267.15887	15.2
284.94830	0.7
285.16943	100.0
286.17340	1.4
298.10144	0.7
316.05341	0.7
350.78491	0.7
429.21405	1.5
442.02533	0.6
447.21802	0.7
635.83496	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	644.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01868	0.7
55.05297	0.4
55.05511	4.5
57.03434	4.7
61.02648	0.3
61.02925	5.4
65.50846	0.3
67.05159	0.7
67.05496	6.6
69.03427	1.7
69.07066	2.3
70.06584	1.6
71.04980	1.7
73.02906	2.1
79.05487	7.3
81.03410	27.2
81.07056	9.3
83.04979	5.7
83.08615	9.5
84.08147	0.5
85.02900	15.1
85.06522	1.1
86.09698	0.8
91.03955	4.8
91.05475	9.6
93.07040	4.9
95.04958	10.7
95.08606	3.3
97.02884	4.5
97.06513	1.6
97.10170	0.9
98.20756	0.7
98.55358	0.4
99.04456	0.7
99.08074	0.5
105.07025	6.9
107.04946	2.5
107.08603	2.6
109.02890	0.6
109.06496	1.6
109.10163	1.9
111.04418	0.8
111.08068	4.3
113.05978	1.1
115.03891	0.5
115.05421	0.5
119.04923	0.7
119.08584	6.8
121.06479	0.8
121.10126	3.1
123.08042	1.2
123.11715	1.0
125.09580	0.7
127.03899	2.4
129.06985	4.1
129.10225	0.6
131.08571	3.8
133.06500	0.7
133.10136	4.2
136.07582	1.4
137.09630	3.0
137.86412	0.3
142.07713	1.2
145.04967	2.5
145.10114	0.4
147.08025	1.2
147.11667	5.9
149.09581	2.2
151.74199	0.4
157.10115	6.4
163.06032	3.4
163.11156	0.8
165.05463	0.6
165.09088	0.9
165.12761	1.7
175.11157	6.9
182.08093	0.8
193.12231	23.5
195.02888	0.3
211.13278	20.2
229.14389	0.6
239.51360	0.3
267.15909	7.4
285.16943	100.0
286.17334	2.4
333.11566	0.4
333.62128	0.5
348.28815	0.4
429.21439	1.8
447.22021	2.3
644.24902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.4
57.03434	0.4
62.11362	0.3
67.05485	1.0
69.07073	0.6
69.39628	2.8
70.06568	0.5
79.05499	0.7
81.03401	0.4
81.07059	0.6
83.04946	0.3
85.02873	0.4
91.05438	0.7
93.07037	0.5
95.04975	0.4
95.08566	0.4
97.06514	1.3
102.27110	0.3
105.07004	0.4
108.08107	0.4
109.02808	0.4
109.10121	0.7
110.09610	0.3
120.08080	0.5
122.38442	0.3
127.03904	0.3
132.29466	0.3
133.10068	0.4
138.09094	0.4
149.01251	0.3
176.09480	1.7
178.04999	0.3
184.11259	0.5
185.07062	0.6
197.07098	0.9
198.07808	0.4
198.11441	0.6
199.08638	1.0
199.13684	1.4
200.09412	1.2
200.13092	0.7
201.06580	0.6
210.12811	0.7
211.08643	4.9
211.12132	0.4
212.09409	2.9
213.10251	3.7
213.13853	0.9
214.10814	0.3
214.14578	0.6
215.08206	0.6
215.11778	0.5
215.15398	3.8
216.13760	0.6
223.08615	1.0
225.10233	4.9
226.10983	13.0
227.08150	0.6
228.08939	0.6
236.09435	0.7
237.10289	2.7
238.11003	0.6
239.08150	0.5
239.11812	2.2
240.08917	6.8
240.12556	2.8
241.13336	100.0
242.13641	1.4
243.14893	1.2
249.10185	0.5
251.11786	2.7
253.09692	0.9
254.10460	1.0
255.11172	0.4
257.16519	0.3
267.11285	0.7
269.12833	33.2
270.13278	0.5
295.10635	0.5
297.12479	0.4
313.11740	1.1
315.13284	0.5
341.11661	0.4
347.15161	0.4
355.07755	0.3
451.21658	0.3
468.36752	0.3
468.54257	0.3
539.26886	0.5
555.25549	0.3
565.23822	0.3
567.25470	0.6
583.25494	15.9
593.23639	0.4
611.24976	20.4
612.24524	0.3
615.28064	16.2
624.23615	0.4
642.46399	12.8
643.27368	10.1
643.46307	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	643.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01826	1.3
55.05450	2.4
56.90525	0.5
57.03395	0.7
61.37780	0.5
67.05502	4.6
69.07001	1.6
69.41254	4.6
70.07339	0.5
71.04942	0.8
71.08570	0.9
79.05489	5.1
80.05813	0.7
81.03356	0.6
81.07056	5.3
83.04939	1.0
83.08545	1.3
91.05492	3.9
93.07037	4.0
95.04922	1.3
95.08590	3.5
97.06500	1.2
99.08028	0.6
105.07024	3.9
107.04916	0.8
107.08520	2.5
107.09220	0.5
109.10088	1.6
115.05385	0.6
117.06933	1.7
119.08560	3.4
121.10055	2.0
125.09544	1.6
125.56253	0.6
129.06915	0.7
131.08496	1.6
133.10089	2.9
135.07950	0.8
135.11641	1.1
143.08531	0.8
145.10042	1.7
147.11636	1.0
148.13142	0.5
149.09560	0.8
151.11209	0.7
151.14635	0.6
155.08414	0.6
157.10065	1.0
159.11627	0.7
160.51971	0.5
161.13252	0.9
163.11067	1.1
168.07625	0.5
171.11688	0.8
183.11534	0.6
227.12741	0.7
245.18794	0.6
253.14445	0.7
259.20560	0.8
275.20029	1.5
277.21448	0.8
281.60294	0.6
291.19522	1.0
293.21304	1.1
333.23984	0.8
335.25851	1.0
349.23761	1.0
396.12524	0.7
397.12921	2.4
398.13565	0.8
409.13010	0.9
410.13654	2.2
411.14334	5.1
412.15195	3.6
413.16135	2.2
423.14749	1.0
424.10696	1.1
424.15228	2.8
425.11606	0.8
425.16251	12.4
426.16873	8.7
427.17206	1.9
428.18573	1.6
437.16614	0.9
438.13083	3.3
439.13483	12.6
440.13394	1.1
440.18979	4.2
441.19308	32.6
442.19476	2.4
444.53568	0.6
452.14468	4.3
453.15332	15.9
454.16058	5.9
457.14786	1.2
458.15875	0.7
459.20508	1.3
463.13763	0.9
467.17160	21.8
468.17862	15.4
469.18875	11.8
470.19022	0.9
471.16248	1.1
480.18259	0.8
481.14764	14.2
482.15457	3.8
485.18582	1.1
486.18646	0.7
495.16034	3.3
496.17017	13.0
497.17786	2.4
498.19064	1.2
499.19949	1.0
509.18353	2.8
512.20618	1.3
514.22650	2.6
522.17761	0.7
523.20050	1.3
527.23767	2.8
537.19006	1.2
540.19318	0.6
542.22162	0.9
555.22437	34.7
556.22540	2.2
572.92377	0.7
583.21887	100.0
584.22327	5.8
586.20874	1.2
587.25079	1.8
611.21710	2.0
614.23737	1.3
615.24438	14.1
625.35052	0.7
625.44611	2.4
643.23865	69.9
643.45905	2.5
644.24298	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	642.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.0
55.05498	2.4
65.03958	1.9
67.05491	3.0
69.03426	2.3
69.07067	2.5
70.06591	14.3
71.04996	1.4
72.08138	4.7
79.05481	10.0
80.05024	2.5
81.03411	3.6
81.07018	2.5
83.04966	1.6
84.04478	3.1
84.08131	5.4
85.02882	4.4
85.38345	1.4
86.09701	8.6
89.03880	1.3
91.05460	5.5
93.05746	1.4
93.07027	9.3
94.06551	3.7
95.04956	4.7
95.08593	3.2
96.08073	1.4
97.02821	2.9
97.06519	3.6
98.92315	1.3
99.04445	1.6
103.05453	7.6
105.06989	2.4
107.08609	2.8
108.08109	9.7
109.02829	2.8
109.10122	2.0
110.06056	1.9
110.07137	2.0
110.09640	2.3
115.08647	1.6
117.03312	1.4
118.06533	2.0
119.07297	3.9
119.08584	2.0
120.04494	1.7
120.08093	38.1
121.06470	1.8
121.10130	1.9
122.06003	5.8
122.09666	1.8
127.03907	2.0
129.10222	2.3
133.10060	1.3
134.05956	1.4
136.06615	2.3
136.07558	19.4
137.05949	1.9
138.05444	1.9
138.09091	2.7
142.66983	1.4
145.02806	5.1
146.03178	1.8
146.06003	3.3
147.04395	2.2
148.07555	100.0
150.09154	1.4
152.07062	3.0
159.09169	1.6
162.05457	1.7
163.03932	2.2
164.07033	3.5
165.09026	1.6
166.08604	5.9
172.03914	4.7
177.05441	6.6
178.05769	2.6
190.05002	2.2
204.06554	6.5
206.08035	2.3
208.09621	2.6
209.10777	1.3
211.08679	1.3
221.10840	1.5
222.11517	1.1
223.08649	3.9
223.12346	1.3
225.10222	4.4
227.08113	3.7
227.11720	1.6
237.10172	18.4
239.08113	9.5
239.11798	3.1
241.09659	4.4
247.08511	1.4
248.09491	1.6
251.08043	6.0
251.11818	1.7
252.06216	1.6
252.08702	24.0
253.09737	15.4
254.08086	2.0
255.11255	3.9
264.08688	1.8
265.09698	32.6
266.10394	3.8
267.07605	4.1
267.11234	6.8
269.09158	3.2
277.09604	3.1
279.07706	4.5
279.11154	2.9
281.09152	20.6
283.10736	11.0
287.10226	2.9
293.09146	24.2
295.10690	13.7
297.08652	1.5
298.09598	1.7
299.10410	6.4
299.13638	1.8
307.10818	3.2
309.08832	2.4
309.12189	1.9
311.10178	24.0
315.13492	3.6
317.06552	2.9
321.08615	15.7
325.11679	2.6
327.09818	14.5
327.13312	2.1
330.12305	1.7
335.10303	1.5
339.09720	52.1
341.11401	5.0
343.13019	2.7
353.11191	10.3
356.13611	2.5
357.14697	2.3
358.15457	3.0
359.12366	20.6
360.16736	1.5
365.68466	1.3
371.12378	36.7
385.14154	3.7
386.15100	2.2
400.16464	4.8
411.11429	3.4
418.17773	3.6
420.09814	1.2
428.16028	3.7
446.17041	6.4
474.16550	19.9
478.19720	2.8
488.18256	2.7
490.19421	1.8
492.17465	5.2
506.19202	16.2
524.19983	5.0
532.16211	1.5
534.18890	12.5
548.20447	1.7
550.18146	8.5
560.16376	3.6
566.21271	11.4
578.17651	90.5
579.17773	2.1
592.18787	4.6
593.16797	1.5
610.20123	20.1
642.27490	2.7
642.37524	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	642.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.2
55.05502	2.3
56.05024	3.3
56.96544	2.2
58.11090	1.4
60.04515	2.2
67.05489	3.1
69.03396	2.5
69.07057	4.0
69.92516	1.1
70.06588	55.4
70.52302	3.7
71.04986	2.1
71.06921	3.0
72.08154	12.0
73.02883	1.3
74.06068	1.2
79.05484	7.3
80.05006	2.1
81.03409	4.3
81.07047	4.1
84.04503	6.2
84.08136	17.5
85.02887	2.9
86.09701	28.0
91.05479	6.5
93.05762	1.4
93.07049	9.3
94.06543	4.0
95.04966	5.4
95.08588	2.9
96.08103	1.8
97.02877	3.8
97.06528	4.4
98.06049	2.0
98.20796	1.5
102.05515	2.3
103.05458	6.0
105.05775	1.7
105.07011	3.3
107.08598	2.6
108.08104	8.3
109.10145	2.0
110.09675	3.3
115.08638	1.2
118.06776	5.0
119.04904	1.5
119.07294	2.4
119.08560	1.7
120.04486	1.6
120.08100	42.2
121.06475	2.1
122.06001	6.0
124.07587	3.1
127.03908	1.9
129.10231	8.4
130.06508	1.8
131.08553	2.4
132.08090	1.8
132.10185	3.0
133.10165	1.8
134.06015	1.9
136.07559	14.4
138.05463	2.0
138.09100	4.3
145.02800	2.9
145.10031	2.3
146.05998	23.1
147.04414	1.9
147.11594	1.4
148.07562	100.0
150.09047	1.7
152.07118	2.3
157.09753	1.8
159.09074	1.3
160.07553	2.2
163.03897	4.8
164.07039	4.5
166.08644	7.2
173.02371	1.4
177.05446	3.2
180.06520	1.7
183.14937	1.4
185.09204	4.0
185.16476	4.1
190.04955	3.3
198.07538	1.4
204.06569	2.0
208.09732	1.6
209.10693	1.9
211.08655	3.5
213.15913	2.8
214.10760	2.1
215.06926	1.8
219.13332	2.0
223.08667	4.9
223.12244	1.7
224.09410	2.1
225.10185	4.7
226.14404	1.8
227.08133	4.9
235.08716	1.7
236.09264	1.5
237.10225	20.2
238.10962	4.1
239.08112	6.4
239.11737	5.7
241.09686	5.1
247.08588	1.3
249.10278	3.0
251.08180	5.8
251.11707	1.8
252.08658	25.7
253.09673	12.6
253.13205	3.4
255.11232	3.9
256.14395	1.3
259.09766	2.5
265.09711	37.1
266.10388	3.6
267.07626	3.7
267.11276	9.3
269.09225	2.9
271.10831	1.6
277.09784	1.9
279.07730	2.5
279.11240	4.0
281.09201	20.3
281.12772	4.8
282.09793	1.5
283.10773	12.2
284.14102	1.5
287.10217	3.1
293.09177	25.5
294.09811	3.0
295.10675	13.4
297.09018	1.8
299.10226	3.8
307.10898	3.3
309.08832	2.4
310.60583	1.3
311.10229	20.3
313.11691	1.7
315.13339	3.3
316.18692	12.1
317.18991	4.7
321.08688	11.7
325.11737	4.0
327.09750	14.8
327.13293	2.4
339.09726	43.1
341.11276	4.1
341.15039	2.9
343.12833	2.6
353.11340	9.7
356.13736	2.0
358.15509	2.4
359.12369	21.2
371.12381	31.5
372.12842	1.9
373.14359	1.4
385.13934	20.3
400.16534	4.5
428.15976	2.9
429.27173	2.7
430.17587	2.6
446.17343	5.9
474.16705	13.1
478.19797	3.2
492.17563	7.6
506.19263	12.5
522.22491	1.5
524.20172	3.2
532.17346	2.5
534.18738	12.8
548.19556	1.8
550.18195	8.4
566.21326	10.8
578.17688	72.6
579.17993	2.5
580.22211	1.7
592.19141	3.8
610.20154	10.0
624.21478	2.4
642.36151	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	641.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10784	2.6
53.03933	6.7
55.01861	14.0
55.05255	5.3
55.05508	64.4
55.58345	3.0
57.03426	11.8
57.07066	7.9
59.04945	3.5
61.20848	3.0
65.03920	6.2
66.07010	2.7
67.05502	89.3
69.03419	9.1
69.07066	43.8
71.04979	12.7
71.08617	5.6
71.61036	3.8
79.05488	90.6
81.03409	7.6
81.06570	5.9
81.07052	100.0
83.04984	17.1
83.08604	26.4
83.74875	3.0
85.06525	4.1
89.06005	4.8
91.05474	70.7
93.07039	80.4
95.04961	20.0
95.08602	58.1
96.65131	3.0
97.02878	3.5
97.06515	15.7
97.10158	42.2
105.07024	65.5
107.04938	15.9
107.08587	49.1
109.06503	16.6
109.10156	22.3
109.49376	3.0
111.04431	2.9
111.08054	8.3
111.11626	3.6
115.05428	4.4
117.07005	29.3
119.04838	2.9
119.08572	51.4
119.27780	3.5
121.06513	5.3
121.10131	26.9
123.08048	9.4
123.11681	8.7
125.09618	24.9
128.06247	6.5
129.06993	20.4
131.08566	48.8
133.06512	6.7
133.10104	45.6
135.08052	11.6
135.11722	16.0
137.09660	5.0
141.06998	6.2
142.07791	4.3
143.08542	20.8
145.06471	3.9
145.10132	37.4
147.07999	9.0
147.11699	32.3
149.09618	10.3
149.13231	8.6
153.09003	4.7
155.08530	14.7
157.10092	19.1
159.07983	6.1
159.11691	23.8
161.09622	8.1
161.13252	19.5
163.07587	3.2
163.11134	7.8
163.14870	4.7
168.09360	4.2
169.10120	21.7
171.11662	18.3
173.11829	3.1
173.13249	13.2
175.11224	5.9
175.14824	6.4
177.12694	4.8
179.08542	3.0
179.14337	3.9
181.10149	8.7
183.11664	13.4
185.13283	13.3
187.14786	7.3
189.11205	17.5
189.12688	4.3
195.11670	7.7
197.13254	12.3
199.11212	3.6
199.14842	7.6
201.12915	3.0
201.16449	4.1
209.13216	8.0
211.14812	7.4
213.16251	5.8
223.13240	9.2
225.16443	5.1
227.12759	19.5
231.20969	3.3
239.17986	6.6
241.19469	17.1
257.19003	9.4
259.20615	32.0
266.40802	3.3
271.17062	3.6
273.18481	9.6
275.20084	30.0
277.21732	4.4
285.22067	5.6
289.17981	14.1
291.19556	55.6
315.22995	5.4
331.22769	4.9
333.24228	25.9
335.25934	3.4
341.24655	3.7
349.23792	4.8
363.26880	3.6
365.23166	18.9
379.29758	10.3
381.27701	6.0
423.66171	3.1
511.34134	5.8
513.36609	5.1
529.34882	5.2
531.38245	6.6
543.36401	6.0
549.39545	6.1
549.66394	3.2
567.41101	4.3
587.40802	3.6
605.41736	13.0
623.28351	12.5
623.42969	80.5
641.44379	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01867	1.0
55.05519	3.1
56.96556	0.6
57.03431	2.9
59.04992	0.7
61.02915	4.2
67.05506	9.0
69.03431	5.6
69.07058	2.1
70.06588	1.9
71.04959	1.3
71.60787	0.9
73.02909	3.0
73.33951	0.6
79.05476	4.4
81.03417	7.5
81.07056	6.5
82.03775	0.7
83.04974	1.9
83.08607	2.5
84.08124	0.9
85.02899	7.3
86.09699	0.8
91.03954	3.3
91.05476	4.5
93.07043	3.1
95.04967	2.6
95.08610	2.9
97.02890	5.4
97.06545	1.8
99.04453	1.4
101.02367	1.0
105.07026	2.9
107.04945	0.8
107.08590	1.8
109.02876	1.8
109.06539	0.7
109.10162	8.4
111.04419	1.1
111.08068	1.3
116.73370	0.6
119.08600	3.4
120.08092	1.0
121.06527	1.2
121.10131	1.7
123.08083	0.7
127.03925	1.7
129.06992	1.6
131.08575	2.5
133.06598	0.7
133.09200	0.6
133.10121	1.5
137.06017	0.8
145.04942	1.1
145.10175	1.0
147.11687	1.8
149.09616	0.7
155.08516	0.8
157.10124	1.3
163.11234	0.8
165.09145	2.8
172.34242	0.7
173.11781	1.9
175.11185	1.6
193.12302	2.1
211.13245	1.8
229.14549	1.4
243.08368	1.8
251.12489	1.2
267.15942	1.3
269.12430	1.4
312.12292	0.7
351.23279	0.9
355.15118	0.8
369.24152	0.8
413.17700	7.6
444.96503	0.7
461.29013	1.8
469.20386	6.3
619.93060	0.8
641.13177	3.4
641.31403	100.0
642.30853	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	641.2963
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.03924	0.4
55.01865	0.5
55.05498	1.0
57.03414	0.5
67.05503	2.7
69.03418	0.6
69.07083	1.3
69.15433	0.2
71.60764	0.6
79.05483	2.3
81.03411	0.5
81.07053	2.9
83.08626	0.7
85.06490	0.3
88.38087	0.2
91.05481	1.9
93.07054	2.0
95.04972	0.8
95.08596	1.7
97.06537	0.8
97.10141	0.4
100.16647	0.3
105.07040	1.7
107.04960	0.4
107.08588	1.6
109.06532	0.8
109.10171	0.8
117.07027	0.7
119.08575	1.5
121.06521	0.3
121.10146	0.9
124.76115	0.3
125.09612	0.6
127.03917	0.4
129.07004	0.7
131.08566	0.9
133.10170	1.0
135.08018	0.3
135.11682	0.3
143.08595	0.4
145.10138	1.0
147.11690	0.7
149.09613	0.7
157.10236	0.3
159.11729	0.5
163.11223	0.4
169.10165	0.3
173.13268	0.4
213.16493	0.4
214.62015	0.3
227.12624	0.3
257.19028	0.5
275.20035	2.1
277.21341	0.4
291.19626	0.4
335.25833	0.3
349.23602	0.6
377.17700	0.5
379.19406	0.9
390.18301	0.5
391.19232	0.8
392.19940	1.0
393.21118	1.5
405.16476	1.7
405.21115	0.8
406.17920	1.1
407.17725	0.4
407.22617	3.4
408.23389	0.4
418.17624	0.4
419.18384	2.8
420.19125	1.4
421.15295	0.3
421.20288	4.5
423.21780	1.0
433.20291	4.1
434.21222	3.5
435.22089	5.6
436.22546	0.9
447.22076	1.1
449.19522	6.7
450.20450	0.4
461.23557	0.6
462.20398	0.5
463.21231	2.8
464.22113	1.8
466.24142	0.3
467.24207	0.4
476.22101	0.4
477.22681	1.1
479.21008	0.6
480.21539	0.4
481.21982	1.8
489.23001	0.6
491.25009	0.4
493.21994	1.9
494.22763	3.1
495.23700	3.2
505.44952	0.3
507.23987	1.9
509.25626	0.3
521.14337	0.4
521.25714	10.1
522.26001	0.6
526.25537	0.3
535.23627	0.8
539.23260	1.1
549.24762	0.6
551.27020	0.3
553.25183	0.5
563.22540	0.8
581.27686	16.5
582.28693	0.6
609.26831	0.6
623.43433	0.9
641.29663	100.0
642.30225	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	641.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
53.96334	0.2
55.01860	0.9
55.05290	0.2
55.05509	2.4
56.67273	0.2
56.96545	0.3
57.03418	1.0
61.02912	0.6
65.03926	0.6
67.05501	4.1
68.99782	0.7
69.03423	2.6
69.07059	1.3
70.06569	1.1
70.15781	0.9
71.01329	0.3
71.04977	0.7
71.08614	0.9
72.08151	0.4
73.02895	0.6
79.05055	0.4
79.05490	4.6
81.03410	15.2
81.07056	3.3
82.03776	0.3
82.06578	0.4
83.04968	1.4
83.08617	2.5
84.08139	0.5
85.02904	3.7
85.06520	0.5
86.06029	0.5
86.09693	0.6
87.00794	0.3
91.05473	4.4
93.07040	3.1
95.01336	0.5
95.04964	7.2
95.08614	1.8
96.08134	2.8
97.02895	2.2
97.06541	1.3
97.08440	0.6
97.10161	0.7
98.09691	0.9
98.20856	0.2
99.04434	0.4
99.08090	0.8
103.03912	0.6
103.05476	0.5
105.03355	0.4
105.07028	2.9
107.04946	2.2
107.08595	1.9
109.02845	1.8
109.06483	0.8
109.10135	1.5
111.00764	0.8
111.04425	1.1
111.08051	1.1
114.09135	0.4
115.05428	0.5
116.10703	0.6
117.06995	1.0
119.05033	0.3
119.08576	2.3
120.08094	0.8
121.02863	2.8
121.06481	0.8
121.10112	1.6
123.04427	2.4
123.08031	0.5
123.11674	0.7
124.07610	0.2
125.05957	0.3
125.09563	0.6
127.03905	2.3
129.07031	1.7
131.04866	0.6
131.08545	2.0
133.02814	0.4
133.06474	1.0
133.10109	1.2
135.04396	0.6
135.08005	0.5
135.11702	0.5
136.07643	0.2
137.02318	1.8
137.05965	0.6
137.09653	0.4
141.06937	0.4
142.07697	0.4
142.08629	3.9
143.08871	0.5
145.04938	0.7
145.06465	0.7
145.10127	1.5
147.04370	1.6
147.08057	1.0
147.10602	0.3
147.11632	1.4
148.07532	0.4
148.11978	0.3
149.05963	0.6
149.09578	1.2
153.01813	3.9
153.09081	0.3
155.08562	0.3
157.06444	0.8
157.10130	1.1
159.11635	0.4
160.09698	0.5
161.05954	0.9
161.09537	0.3
163.03891	1.2
163.11148	1.0
165.01822	1.8
165.09119	0.4
165.12740	0.3
171.04518	0.4
171.11707	0.6
173.09592	0.4
173.11755	0.3
175.07570	0.3
175.11212	1.3
183.02878	0.9
185.06010	0.5
189.05475	0.8
189.12729	0.6
191.10637	0.5
193.12238	4.1
193.28384	0.3
194.12529	0.4
197.06000	0.4
199.14700	0.3
205.12370	0.3
207.13753	0.5
211.13239	1.2
212.13669	0.4
213.05470	1.4
217.12206	0.6
223.13219	0.3
225.12752	0.3
227.12651	0.3
227.14626	0.4
229.14473	0.3
231.06645	0.5
235.13257	5.6
240.16045	1.3
241.04974	1.0
241.16240	1.1
249.14722	0.3
253.14302	0.5
255.13821	0.4
258.05307	1.3
259.06021	0.7
259.09546	0.3
259.13232	0.6
259.17374	0.5
259.81796	0.3
273.14868	1.3
277.14307	1.0
287.05472	100.0
288.05847	1.2
289.14258	0.5
301.14386	2.9
303.17966	0.3
314.10068	0.6
319.15350	2.2
329.06378	0.4
331.82953	0.3
337.16351	0.6
353.06674	0.3
375.16162	0.7
389.19510	0.3
390.13766	0.4
393.18329	0.3
395.07556	0.4
412.17099	0.6
413.17578	1.3
473.07538	0.3
479.29282	0.3
543.23010	1.3
623.31201	0.3
641.12402	0.8
641.31805	5.3
661.44788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
55.01876	5.9
55.05256	1.2
55.05509	19.3
56.96564	1.1
57.03433	10.0
59.04979	1.2
61.02924	1.6
65.03924	2.1
67.05499	26.6
69.03426	14.4
69.07066	7.8
69.44961	1.3
69.45310	7.2
70.06582	2.6
71.04989	6.2
72.08136	1.1
73.02930	1.3
73.06538	1.1
79.05486	27.1
81.03413	100.0
81.07049	33.5
83.04976	20.1
83.08617	20.3
85.02415	1.6
85.02901	20.8
85.06535	2.2
86.09725	1.9
87.04458	1.3
91.05476	31.9
93.07041	19.5
95.04963	28.5
95.05548	1.7
95.08603	9.5
97.02884	16.4
97.06528	7.7
97.10171	6.3
99.04452	4.5
99.08095	1.9
101.02344	0.7
102.44991	0.7
103.05454	2.2
105.07026	23.3
107.04941	8.0
107.05527	0.8
107.08584	11.1
109.02878	15.4
109.06521	7.2
109.10162	5.2
111.04430	13.3
111.08082	8.5
113.05990	1.5
115.05462	2.2
117.06992	5.3
119.04954	1.5
119.08580	19.2
120.08113	1.7
121.06506	5.2
121.10140	11.8
123.04455	2.6
123.08076	3.2
123.11702	3.0
125.09623	4.4
127.03915	10.5
129.05476	2.7
129.06985	11.9
129.10245	0.9
131.04898	1.9
131.08565	10.8
133.06508	3.2
133.10117	10.7
135.04411	1.7
135.08066	2.0
135.11707	3.3
136.07628	0.9
137.06000	1.6
137.09602	1.9
139.11200	1.0
141.06982	1.0
142.07764	2.6
143.08606	1.3
145.04922	0.9
145.06499	2.2
145.10117	4.5
147.04439	2.5
147.08026	3.9
147.11671	16.9
147.12772	1.2
149.09619	7.1
151.07585	1.1
151.11163	1.2
153.11636	0.9
153.12775	3.0
155.08589	1.1
157.10110	13.8
159.08086	0.8
159.11694	1.2
161.05975	1.0
161.09668	0.9
161.13240	0.8
163.03928	3.0
163.10028	0.9
163.11128	4.9
164.95096	0.8
165.09105	1.2
165.12756	4.2
167.07193	0.8
171.08067	1.2
171.11737	1.3
173.02299	1.0
173.04472	1.2
173.09581	1.2
175.11147	14.2
175.75810	0.8
181.12271	3.3
185.06157	1.2
189.05482	1.1
189.11212	1.6
191.10616	3.8
193.12231	47.0
201.12791	1.5
208.76160	0.9
209.11736	1.4
211.13278	61.5
212.13635	1.3
213.05438	1.5
213.12767	1.0
217.12326	1.3
227.12743	6.6
229.14412	2.9
233.15440	1.3
235.13339	1.7
242.11469	0.8
249.14851	1.2
267.13348	1.4
267.15930	16.8
273.15042	2.1
277.14484	1.0
283.15527	2.7
285.17004	10.4
291.16071	1.2
301.14249	4.6
309.17267	1.0
311.12659	0.9
319.15433	1.7
337.16620	3.5
355.17874	5.5
367.22626	1.2
372.88425	0.9
375.18021	1.6
381.11581	0.9
385.23825	2.1
393.19156	2.7
403.24884	1.0
411.20120	5.9
429.20972	2.7
447.14340	0.8
459.27335	7.8
477.28351	13.0
495.29532	13.6
501.28558	1.0
519.29382	1.6
542.22986	1.1
561.31097	1.0
573.30420	1.8
585.30713	1.8
603.31403	2.5
621.32477	9.2
639.33740	42.5
640.33899	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	638.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	1.0
56.03802	0.4
65.03902	0.8
66.02332	0.4
67.05486	2.3
69.03373	0.8
69.07012	1.1
69.46463	4.0
70.06540	0.8
79.05490	3.6
79.28503	0.5
80.04972	0.5
80.66346	0.4
81.03347	1.8
81.03780	0.5
81.06998	1.2
82.04978	0.4
83.04924	0.6
85.02834	1.7
86.09678	0.5
91.05464	2.9
93.05730	1.0
93.07047	3.0
94.06551	2.5
95.04983	2.1
95.08541	1.4
96.08074	0.8
97.02828	0.6
97.06444	0.9
97.10111	0.9
103.05429	2.1
105.06958	1.3
107.04916	0.5
107.07307	0.7
107.08532	1.3
108.08113	5.8
109.02805	0.7
109.06441	0.5
109.10114	1.1
110.09646	1.1
117.05663	0.5
118.06495	1.2
119.07292	0.6
119.08546	1.1
120.04456	3.2
120.08099	15.8
121.10082	0.5
122.06024	9.0
122.09605	1.5
127.03880	0.5
129.06984	0.7
132.07988	1.2
132.18007	0.4
133.10062	1.1
134.05934	0.5
134.09544	0.4
135.06709	0.5
135.11638	0.5
136.07573	8.4
137.05986	0.7
138.05444	1.0
138.09035	1.6
139.11107	0.5
145.10039	1.0
146.05994	3.9
148.07567	26.9
150.05405	0.7
150.09122	3.3
152.07016	1.8
159.40709	0.4
160.07506	1.0
162.09085	1.1
163.03825	0.5
163.11096	0.9
164.07016	1.6
164.10637	0.6
166.08672	2.6
172.03868	0.9
172.07564	0.5
176.10686	0.9
178.08620	0.7
180.10152	2.5
182.09546	0.6
184.07437	1.0
184.09891	0.9
186.09024	0.5
190.04935	1.6
191.10532	0.5
194.08058	1.0
196.09840	0.6
197.10672	1.7
204.06468	0.7
204.70804	0.4
208.06012	0.5
208.09703	1.3
209.07068	0.5
209.10620	2.0
210.11438	0.7
211.08594	0.9
211.12289	1.4
212.09378	1.6
213.10121	0.6
218.08138	0.9
220.09869	1.3
221.07080	0.5
221.10760	1.0
222.07803	0.5
223.08688	2.4
223.12233	1.8
224.09377	1.4
225.10229	5.5
226.10991	0.6
227.11752	2.5
229.14108	0.6
233.10649	2.1
235.08664	2.8
235.12309	1.2
236.09361	2.3
237.10213	13.1
238.10954	2.7
239.08176	3.2
239.11780	6.0
240.12506	0.6
241.09653	2.0
247.08693	0.9
248.09286	2.4
249.10234	10.5
250.11009	3.5
250.85928	0.5
251.08122	5.7
251.11746	10.5
252.08807	2.4
252.12494	1.8
253.09727	7.8
253.13388	1.2
254.10374	0.9
255.11209	5.0
261.10208	6.4
262.10913	2.6
263.08191	1.2
263.11761	10.7
264.08835	1.2
264.12494	1.0
265.09711	13.7
265.13190	1.3
266.10541	2.5
267.11270	10.0
268.12048	0.6
269.09158	1.2
269.12729	1.6
271.10791	2.9
275.07962	1.0
276.08823	1.5
277.09738	4.6
277.12717	0.8
278.07224	0.8
278.10501	6.1
279.07654	4.3
279.11240	18.3
279.14343	1.1
280.09116	0.6
280.11887	3.0
281.09161	3.6
281.12781	2.5
282.09851	1.4
282.13281	0.7
283.10788	9.5
283.14026	0.8
285.12347	0.9
289.06522	0.9
289.09677	14.4
290.10373	1.6
291.11267	8.9
292.08578	0.8
292.11966	0.9
293.09143	4.2
293.12796	6.0
294.10007	6.2
294.13177	0.8
295.10757	7.1
295.14163	1.0
296.11539	4.1
297.08859	0.8
297.12289	2.6
298.09430	0.8
299.10236	2.0
299.13486	0.5
305.12650	0.9
306.09781	1.7
307.10751	5.2
308.11472	1.9
309.08948	0.7
309.12253	4.6
310.12848	0.7
311.10199	10.3
311.13867	3.9
312.11014	4.4
312.14374	0.7
313.11630	1.7
314.12671	1.6
315.13629	0.6
316.14447	0.9
317.09183	2.0
318.10052	0.5
319.10898	0.8
321.08694	1.1
321.12247	1.1
323.10150	2.2
323.13876	4.1
324.11035	3.1
325.11835	3.0
326.12607	6.1
327.13373	8.0
328.14319	0.8
329.15082	1.2
330.16058	1.0
333.12576	0.6
335.10233	16.7
336.10718	1.5
337.11795	1.8
337.23624	0.5
339.13358	60.0
340.10452	5.2
340.14130	2.4
341.15314	0.5
342.15967	1.0
343.12775	0.6
349.11719	2.0
351.13666	2.0
352.10562	1.9
353.11362	1.0
353.15143	0.8
354.12085	7.9
354.16043	1.3
355.12869	18.9
355.16672	0.9
356.13672	0.8
358.15311	1.3
367.12881	40.9
368.13425	1.7
368.17685	0.6
369.14261	0.6
370.15433	0.6
371.12238	0.6
372.17093	1.1
374.14847	0.8
377.11435	0.6
381.14511	1.1
382.15427	1.2
383.16156	0.7
384.22604	0.9
385.13879	0.6
395.12186	0.7
398.18741	0.5
399.15613	1.4
400.16602	1.4
414.18106	1.5
416.15533	0.6
418.17398	1.1
427.15332	0.6
442.17593	2.1
446.16843	0.8
458.20697	1.5
460.18823	0.7
470.17123	3.8
474.20300	2.8
476.27353	1.8
484.18555	0.6
486.20233	4.4
488.18124	1.4
493.22162	0.9
502.19739	5.5
512.18231	1.4
520.20782	6.0
521.21820	1.6
530.19177	13.3
534.22382	5.4
546.18622	1.1
547.19775	0.8
562.21832	44.9
563.22174	1.9
574.18219	17.1
574.26727	0.3
578.21283	5.3
588.19470	1.1
606.20789	100.0
607.21124	3.8
620.31274	0.5
624.22021	0.8
638.32660	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	637.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01859	2.7
55.05512	7.2
57.03432	23.3
57.06790	1.7
57.07072	36.3
61.02922	68.5
67.05499	11.3
69.03426	28.2
69.07053	9.9
69.48238	5.9
69.48641	2.9
69.50393	1.0
70.06579	1.1
71.01336	3.5
71.04984	4.5
71.08626	27.9
72.07658	1.1
73.02911	23.9
75.04472	2.2
79.05488	3.7
81.03410	24.3
81.07049	17.1
83.01358	1.4
83.04969	3.7
83.08611	11.2
85.02901	75.4
85.10174	12.4
87.04484	4.5
89.06026	1.7
91.03947	38.6
91.05469	2.5
93.07025	3.2
95.04958	3.0
95.08600	23.3
97.02880	65.7
97.10152	6.9
99.04459	8.3
99.11719	1.4
101.02384	6.4
103.03929	8.7
105.07038	3.1
105.34805	1.0
107.08598	3.0
109.02861	11.2
109.06535	1.2
109.10148	10.8
111.04422	2.0
111.11691	1.5
115.03942	5.1
117.05495	2.4
117.06989	1.7
119.08575	2.4
121.10103	2.2
123.11665	5.2
125.13272	1.7
127.03913	28.1
129.05487	5.5
129.06912	1.5
133.10117	1.3
135.11717	1.3
137.13272	1.8
143.08540	1.8
145.04951	18.3
147.11754	1.1
151.14719	1.6
155.06975	1.3
157.10155	1.1
159.06436	1.6
161.13283	1.2
163.06021	4.0
171.06543	1.5
183.06511	9.6
192.33273	1.2
201.07513	7.4
221.22586	1.6
227.20135	1.6
239.23680	21.4
240.32317	1.3
257.24765	3.2
303.24933	1.1
313.27338	100.0
314.27673	1.6
341.26932	4.6
348.17422	2.3
348.67905	1.6
349.16672	2.1
355.28391	4.7
371.28445	1.3
374.98792	2.4
377.77948	1.3
383.28006	2.0
385.29486	2.2
397.29465	1.5
411.20541	1.4
421.29391	2.3
439.30499	2.3
457.31589	12.4
475.32153	1.6
520.40063	1.2
621.16266	2.5
637.39984	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	637.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01853	2.9
55.05518	5.3
57.03434	16.5
57.07074	24.7
57.75495	1.0
58.84602	0.8
61.02925	52.0
65.03927	1.0
67.05504	10.4
67.32176	1.0
69.03078	1.1
69.03431	20.3
69.07059	8.5
69.53252	1.0
71.01360	2.6
71.04967	1.7
71.08629	24.4
73.02917	18.0
73.44327	0.9
75.04480	2.4
79.05485	3.4
80.94382	0.9
81.03413	17.7
81.07052	15.0
83.04974	2.9
83.08626	7.0
85.02901	63.8
85.10171	9.9
87.04454	1.9
91.03951	36.3
91.04520	2.1
91.05475	1.9
93.07016	1.2
95.04948	1.9
95.08605	14.5
97.02888	53.6
97.10156	3.9
98.20744	3.1
99.04449	10.6
101.02365	6.0
103.03936	7.2
105.07028	1.4
107.04949	1.8
107.08596	1.7
109.02874	11.6
109.10156	9.5
111.04424	2.2
111.11680	1.2
115.03938	6.8
117.05461	2.2
123.11684	3.9
127.03912	25.2
127.04792	1.7
129.05484	3.8
135.08020	1.5
137.13210	1.0
141.05505	1.5
142.25089	1.1
143.43683	1.0
145.04962	14.5
155.06963	1.1
159.06483	3.2
163.06030	2.7
171.06499	2.6
183.06522	10.9
201.07654	9.3
219.08565	1.2
221.22656	2.1
239.23703	20.4
242.36273	1.0
257.24698	3.0
301.91211	1.0
313.27353	100.0
314.27615	1.1
341.26791	4.6
355.28424	3.3
367.28525	1.6
383.27887	2.0
385.29492	1.6
421.29587	1.2
439.30737	1.5
457.31580	10.8
475.32489	1.5
547.35931	2.4
637.39294	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	637.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01667	0.2
55.01870	1.8
55.05510	0.2
67.05473	0.2
69.03408	0.3
69.06786	0.1
69.07069	1.6
70.06586	2.9
71.04975	0.3
71.60879	0.3
72.08127	0.5
73.02886	0.3
79.05474	0.2
81.03408	0.2
81.07045	0.3
84.04483	0.4
84.08128	1.0
85.02879	0.4
86.06050	0.3
86.09690	1.1
91.03936	0.2
91.05453	0.3
93.06986	0.3
94.06571	0.4
95.04929	0.4
96.04501	0.3
97.02874	0.2
97.06497	0.3
98.93546	0.2
99.09414	0.2
105.07011	0.2
105.30901	0.1
107.67522	0.2
108.04443	0.7
108.46854	0.2
110.06011	0.2
110.07124	0.4
112.07611	0.3
113.91277	0.2
116.10674	0.2
120.08063	0.5
121.02868	0.2
122.05999	0.4
123.09113	0.2
129.10211	0.5
136.07587	0.5
140.07051	3.0
142.08672	0.2
142.55998	0.2
146.06026	0.3
147.06746	0.2
148.07556	2.7
160.07539	0.3
163.03806	0.2
168.06560	2.6
170.09630	0.3
172.07527	0.3
173.07111	0.2
174.05463	0.6
174.09178	0.2
177.57506	0.2
183.06635	0.2
187.08690	0.2
198.09106	0.7
199.08630	2.7
200.06963	0.2
201.10205	0.2
202.08676	0.2
203.09351	0.2
210.09261	0.4
212.09390	0.6
213.10216	1.0
214.10992	0.6
215.11775	1.1
224.10620	0.3
225.10179	3.5
226.08713	1.1
226.10788	0.3
227.08203	1.1
227.11746	2.2
237.10121	0.2
239.11644	0.4
241.09689	0.7
241.13297	0.8
242.10316	0.9
243.11224	1.2
252.10144	0.6
252.12538	0.2
254.11383	0.2
255.11253	13.5
256.11758	0.3
257.12967	0.2
258.98810	0.2
269.12854	4.1
271.14404	0.3
287.05478	0.6
287.13873	0.7
297.12292	5.2
299.13882	0.8
305.15021	0.5
313.06970	0.3
315.13342	100.0
316.13770	3.1
323.48407	0.2
330.09723	0.3
555.00598	0.2
619.26917	0.5
637.28723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01653	0.2
55.01871	1.8
55.05492	0.2
58.21807	0.2
60.04490	0.2
60.89905	0.2
61.02905	0.2
67.05482	0.3
69.03418	0.4
69.07064	1.6
70.06583	1.4
70.16805	0.7
71.04982	0.2
72.08140	0.6
73.02901	0.3
79.05489	0.3
81.03404	0.3
81.07047	0.3
84.08154	0.5
85.02887	0.5
86.09692	0.7
87.05595	0.2
91.03903	0.3
91.05478	0.5
93.28028	0.2
94.06556	0.4
95.04959	0.4
96.04483	0.3
97.02855	0.2
97.06520	0.7
107.04929	0.2
108.04476	0.5
108.08101	0.3
109.02878	0.2
112.07607	0.3
116.10751	0.2
119.08568	0.2
120.08093	0.4
122.05981	0.3
127.49847	0.2
129.10242	0.5
134.05991	0.2
136.07542	0.5
137.05986	0.3
137.49802	0.2
140.07054	2.6
141.10229	0.2
146.05998	0.3
148.07556	3.1
150.81935	0.2
160.07539	0.3
161.92140	0.2
168.06540	2.8
170.09657	0.3
173.07082	0.2
174.05492	0.6
174.09041	0.3
175.08635	0.2
187.08662	0.3
188.07014	0.2
198.09081	0.8
198.10847	0.2
199.08600	3.0
199.12294	0.4
200.09366	0.3
201.10168	0.3
203.09335	0.2
210.09209	0.4
210.11127	0.2
212.09273	0.4
213.10262	0.9
214.08897	0.2
214.10986	0.7
215.11813	1.0
224.10643	0.6
225.10220	2.9
226.06577	0.2
226.08551	1.1
226.10756	0.4
227.08165	1.5
227.11737	2.1
228.12518	0.3
237.10225	0.3
240.09030	0.2
241.09732	0.7
241.13257	0.9
242.10329	0.9
243.11226	1.2
251.11588	0.3
252.10132	0.6
253.13452	0.2
254.11717	0.3
255.11266	12.4
256.11700	0.2
267.11337	0.2
269.12839	3.9
270.10916	0.2
271.14310	0.2
287.13892	0.9
297.12305	4.9
299.13925	0.7
303.13367	0.3
305.14825	0.4
315.13345	100.0
316.13776	3.4
317.14859	0.2
329.15900	0.2
619.27045	0.5
637.27057	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	637.1763
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
53.03930	0.5
54.57695	0.2
55.01860	0.3
55.05499	0.6
56.05019	0.5
56.96561	0.2
57.03429	1.8
60.04522	0.9
61.02909	0.7
64.95037	0.2
65.03943	0.2
67.05495	0.7
69.03427	1.5
69.07046	0.6
70.06583	5.1
71.04989	10.4
71.06914	0.2
71.59686	0.3
72.08152	1.1
73.02907	1.0
74.06069	0.3
75.04475	0.4
79.05493	1.0
81.03413	2.3
81.07060	1.1
83.04964	0.8
83.06087	0.2
83.08628	0.3
84.04503	0.6
84.08147	1.5
85.02898	12.8
85.06525	0.3
86.06094	0.2
86.09705	2.2
87.04453	0.6
91.05465	0.8
93.07069	0.8
95.04943	0.6
95.08596	1.0
96.08105	0.2
97.02884	7.5
97.06528	0.5
98.06057	0.4
99.04440	0.8
103.05401	0.2
105.03371	0.3
105.07008	0.6
107.04937	0.5
107.08581	0.6
109.02891	1.0
109.06516	0.3
109.10152	0.2
110.03732	0.2
110.07140	0.5
110.09672	0.3
111.00777	0.6
111.04426	0.5
112.08698	0.2
116.07066	0.2
119.08556	0.4
120.08080	0.6
121.02850	2.1
121.10123	0.6
123.08044	0.6
124.07587	0.2
125.09618	0.2
127.03909	2.8
129.05475	2.8
129.06960	0.3
129.10216	0.7
131.08559	0.3
133.02858	0.4
133.04941	0.2
133.10094	0.3
135.08044	0.3
136.07527	0.7
137.02345	0.4
137.05931	0.5
137.09535	0.2
140.10692	0.8
145.04958	0.4
145.06432	0.2
147.04393	0.4
147.06520	0.7
147.11732	0.3
151.03912	0.3
153.01836	2.7
155.08089	0.2
157.06427	0.3
158.11797	0.3
161.05937	0.2
163.03897	0.3
165.01810	1.4
166.08749	0.2
167.06998	0.3
167.30608	0.2
171.04303	0.4
171.06522	0.2
176.12779	0.2
183.02844	0.8
185.05901	0.5
187.06023	2.1
189.05452	0.2
193.12096	0.2
197.05910	0.2
203.06979	0.3
205.07053	0.4
210.11143	0.2
212.16544	0.2
213.05412	1.0
217.08437	0.2
231.06499	0.6
241.04997	0.6
242.08044	0.2
258.05252	1.1
259.06088	0.4
287.05472	100.0
288.05814	1.3
299.05542	0.3
315.13477	1.0
329.06473	0.5
473.10703	0.4
546.38049	0.3
564.38928	0.5
565.38995	0.6
582.39709	0.7
583.39612	0.3
600.40576	0.3
601.41376	0.3
618.11029	0.2
618.41064	0.2
619.26990	0.5
637.25067	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	637.1754
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
50.52831	0.4
53.03937	0.7
53.66876	0.4
55.46870	0.4
57.03428	3.5
60.04498	0.6
61.02909	1.7
67.05502	0.5
68.99811	0.5
69.03434	2.8
70.06572	0.7
70.91119	0.8
70.91472	0.5
71.01345	0.5
71.04989	17.8
71.18160	0.3
73.02913	3.1
75.04458	0.8
79.05466	0.4
81.03419	3.8
83.04976	2.7
84.08111	0.6
85.02898	25.1
85.97022	0.4
87.04449	0.9
93.07045	0.3
95.04958	0.6
95.08602	0.5
97.02876	2.4
98.05210	0.4
99.04434	1.4
103.03931	1.7
107.04916	0.4
109.02863	3.4
110.07132	0.4
111.00782	1.0
111.04418	2.1
115.03861	0.5
121.02855	3.7
121.10149	0.3
127.03911	5.4
129.05467	5.1
133.04955	2.1
133.64546	0.4
137.02309	0.5
139.64162	0.4
145.04959	2.2
147.04456	0.7
147.06520	1.2
153.01831	3.2
156.20186	0.4
165.01758	1.5
183.02921	0.9
187.05974	4.6
205.07097	3.6
213.05453	1.3
229.04898	0.5
231.06633	0.5
258.05164	0.6
259.05948	0.4
275.46594	0.4
283.05923	0.4
287.05478	100.0
288.05823	2.7
299.05493	3.1
311.05472	1.1
313.20157	0.7
323.05316	0.5
325.07031	1.3
329.06525	4.3
333.11743	0.6
339.08563	1.0
349.06924	0.6
353.06589	3.3
377.06534	0.8
395.07507	3.0
415.10403	0.4
433.11282	0.6
455.09283	0.6
473.10611	1.6
491.11957	3.2
536.16882	0.4
583.40167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11533	0.9
67.05495	1.3
79.05513	1.0
89.48653	0.9
95.08587	1.1
378.18222	1.1
392.20026	1.2
393.20639	2.2
399.15988	2.1
400.16797	3.1
401.17520	3.7
403.19275	1.1
404.15988	1.1
405.20380	1.4
407.22278	3.4
413.17517	3.5
414.18497	6.6
415.19464	8.6
416.20291	1.2
417.20963	2.4
421.20251	3.0
425.17651	1.6
428.20352	4.5
429.21188	9.4
430.21344	3.0
434.21249	1.2
435.21643	2.0
442.17490	1.5
443.18213	4.0
443.22729	4.1
444.18347	4.9
445.20242	2.1
456.19553	1.6
457.20636	5.8
458.20761	4.0
470.17209	1.3
471.22260	8.7
472.23248	5.5
473.19882	4.6
474.19928	1.0
484.18933	1.5
485.19513	3.2
486.20377	8.1
487.20975	3.2
488.22235	2.6
489.22574	1.5
490.19858	3.7
499.21310	13.4
500.22003	3.2
503.24063	3.6
513.19562	1.5
516.21210	1.5
517.22192	3.9
527.20740	3.2
528.21600	1.1
531.23834	17.3
543.23639	1.4
545.21545	1.6
549.24127	1.4
559.23376	100.0
560.23279	2.0
587.22827	16.6
619.25482	88.7
620.25397	1.5
637.26514	10.1
637.41840	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	636.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75735	0.2
55.05486	0.3
60.98286	0.2
61.81079	0.2
65.49194	0.2
67.05502	1.0
69.07050	0.3
69.93353	1.1
81.03389	0.2
81.07065	1.0
91.05461	0.3
93.07030	0.3
95.08584	0.2
98.98451	2.3
105.07050	0.3
109.10155	0.6
118.06547	1.2
124.99992	6.7
131.08583	0.3
132.08026	0.5
133.08833	0.2
133.13873	0.2
144.08064	8.9
144.09206	0.5
145.08820	0.2
146.09608	0.5
158.09607	3.5
159.10394	1.5
160.11206	0.6
172.11171	2.8
173.11981	0.5
176.14330	9.3
177.14734	0.2
186.12709	0.4
202.15883	86.5
203.16263	0.9
220.16945	8.7
221.17249	0.2
300.13553	100.0
301.13959	1.2
363.17743	0.2
374.16785	0.3
464.59357	0.2
542.22375	0.2
576.23236	0.3
618.38959	1.4
634.45032	0.2
636.40820	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	635.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.5
55.01849	1.4
55.05491	1.0
57.03432	2.5
57.03683	0.5
57.62520	0.4
58.95284	0.3
61.02931	1.9
67.05486	1.0
68.99793	0.5
69.03078	0.3
69.03426	6.3
69.07065	3.0
69.56003	2.7
71.04968	1.4
73.02919	2.6
79.05481	1.9
81.03410	5.0
81.07032	0.6
83.01305	0.4
83.04930	0.4
83.47649	0.4
85.02900	10.8
85.06540	0.5
93.07011	0.6
95.04936	0.9
95.08556	0.7
97.02882	3.4
97.06523	6.6
98.00037	0.4
99.04419	1.6
103.03900	0.5
109.02866	3.2
115.03894	0.6
121.02849	0.5
127.03905	7.9
133.04926	0.9
137.02325	0.8
142.07846	0.4
145.04968	2.9
145.06473	0.7
147.04367	0.4
153.01819	3.2
161.05986	0.5
165.01863	1.0
179.17418	0.4
183.02969	0.4
187.06003	4.1
201.05438	1.2
203.03265	0.4
205.07076	1.3
217.04987	3.5
229.05003	2.9
243.06543	1.5
245.04422	6.3
257.04459	2.6
269.04364	3.1
271.06061	1.9
273.03897	8.1
274.04599	0.5
283.06064	0.6
285.03918	4.4
286.04678	0.6
297.07455	0.4
299.05478	16.5
301.03412	17.9
302.04251	2.4
303.04950	6.0
311.05518	0.6
313.03400	47.2
314.03903	0.5
325.03552	0.9
325.07028	5.3
326.04263	3.3
327.05026	0.9
327.08615	3.1
337.07083	0.4
339.05008	0.5
340.05576	0.6
342.18774	0.4
355.08102	56.3
356.00925	0.5
356.08340	1.2
381.09735	4.0
399.10724	35.8
400.10666	0.6
413.12268	12.7
431.13351	100.0
432.13861	2.3
551.69556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01857	1.5
55.05513	14.3
56.96552	1.3
57.03435	11.2
57.07084	1.5
59.04991	3.9
61.02922	5.8
61.73773	1.5
65.03950	2.3
67.05503	71.0
69.03438	7.2
69.07063	11.8
70.06601	4.4
71.04987	5.0
72.08132	1.8
73.02925	1.5
74.09711	2.2
79.05495	18.2
81.03419	40.5
81.07053	32.6
82.03745	1.7
82.29919	1.2
83.04988	8.5
83.08618	17.0
84.04505	1.4
84.08132	2.2
85.02907	18.6
85.06537	3.4
86.09682	1.9
91.03939	1.8
91.05482	18.9
93.07044	16.5
95.04974	16.9
95.08611	14.7
97.02875	7.0
97.05973	1.1
97.06512	6.9
97.10166	4.2
98.20788	2.9
98.36749	1.4
99.04451	3.1
99.08101	1.9
105.07035	21.4
107.04963	5.7
107.08579	10.8
108.08103	2.0
109.02866	3.0
109.06524	7.0
109.10151	62.6
111.08076	9.0
111.11713	1.4
117.07005	1.9
119.08577	20.9
120.08102	2.6
121.06491	3.0
121.10099	7.8
121.51111	1.5
122.06035	1.5
122.09689	2.5
123.08060	3.1
123.11694	4.6
125.09599	2.5
127.03877	2.5
127.07600	1.7
127.11226	3.1
128.74484	1.4
129.05530	1.4
129.07013	6.6
131.08563	6.4
133.06522	1.8
133.10132	8.5
135.11710	4.7
136.07584	2.3
137.05933	1.8
137.09624	5.3
137.13271	1.6
142.07707	2.1
145.04953	1.7
145.10117	2.9
147.08028	3.2
147.11659	16.2
148.07574	4.8
149.09642	3.5
150.09088	2.2
151.11153	3.2
155.10713	2.3
157.10129	7.6
161.13216	6.4
163.03961	2.1
163.11191	3.3
165.12753	4.2
173.11748	16.9
175.11185	10.4
179.04875	1.7
181.12160	1.5
193.12250	29.9
207.13905	2.4
211.13289	33.6
229.14339	67.9
236.09598	1.8
237.10228	3.0
243.15950	4.2
249.10330	4.1
255.19571	2.6
265.09656	2.2
267.11456	1.9
267.15915	15.9
277.09702	2.8
279.11340	2.9
285.10034	2.0
285.16980	29.5
293.09256	3.8
299.23676	1.5
307.10837	1.7
317.24884	3.8
332.87006	1.4
335.25812	13.0
337.11072	1.5
339.13583	1.7
351.09656	1.9
353.22900	1.8
353.26846	18.3
365.11237	2.0
371.27969	3.8
397.13882	2.3
421.25812	15.6
439.26898	100.0
440.27216	2.7
475.27075	1.7
520.20313	1.6
586.35327	1.5
592.23035	15.9
593.23236	3.7
636.22083	4.1
637.22589	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	634.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01881	0.1
55.05491	0.6
57.03414	0.3
59.04944	0.2
60.98249	0.1
67.05501	2.4
68.05810	0.3
69.03414	0.8
69.07054	0.6
70.06589	0.2
76.66697	0.2
78.36261	0.1
78.36777	0.1
79.05486	1.1
81.03387	0.5
81.06701	0.1
81.07059	1.2
82.07397	0.3
83.04960	0.2
83.08621	0.3
84.75410	0.1
91.05456	0.8
92.05811	0.2
93.07041	1.3
94.07371	0.2
95.04960	0.4
95.08591	1.0
97.06524	0.2
98.21502	0.4
98.98454	2.4
99.04435	0.2
105.07037	0.9
106.07342	0.2
107.08571	0.6
109.06520	0.2
109.10142	1.5
110.10480	0.2
117.07002	0.3
118.06519	1.2
119.08559	0.7
120.08869	0.2
121.10131	0.3
123.08031	0.3
124.99993	6.6
125.09577	0.3
129.06903	0.2
131.08539	0.6
132.08008	0.4
133.10130	0.3
135.11708	0.2
143.08498	0.2
144.08069	9.1
145.08772	0.3
145.10149	0.3
146.09573	0.4
147.11749	0.2
149.23045	0.1
155.08482	0.2
157.10129	0.2
158.09625	3.2
158.10909	0.2
159.10445	1.9
159.11671	0.4
160.11256	0.6
162.09071	0.2
166.02498	0.2
172.11179	2.9
173.11806	0.4
176.14333	10.4
186.12704	0.2
187.13383	0.2
202.15891	88.7
203.16304	1.0
220.16949	8.4
229.14224	0.2
232.96783	0.2
300.13562	100.0
301.13895	1.3
370.24402	0.3
559.61932	0.2
616.37817	1.6
634.39014	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	634.299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.2
67.05502	2.8
69.03416	1.0
69.07071	2.3
69.54894	0.4
70.06570	0.4
71.60769	0.5
79.05470	2.6
81.03401	0.5
81.07044	10.6
83.04973	1.2
83.08585	0.7
86.09689	0.5
91.05488	1.9
93.07034	4.4
93.55240	0.4
95.04967	1.0
95.08601	4.8
97.02875	4.5
97.06540	1.1
105.07024	2.3
107.08575	4.4
109.06506	0.5
109.10149	3.6
119.03478	0.5
119.08591	2.4
121.10111	3.2
123.08058	0.5
123.11696	1.0
125.09586	0.4
131.08563	0.7
133.10114	1.6
135.11685	2.4
136.06169	100.0
137.04572	0.7
137.13248	0.7
145.10123	1.1
147.11615	0.8
149.09657	0.6
149.13223	0.7
151.11220	0.5
153.90077	0.4
157.10132	0.7
159.11627	0.9
161.13167	0.5
163.11153	0.5
164.98509	0.4
169.10098	0.4
171.11679	0.9
172.95160	0.5
173.13210	0.6
173.69258	0.3
175.14775	0.4
177.16351	0.8
189.16452	0.4
217.80928	0.4
221.15291	0.6
276.95255	0.3
298.95117	0.5
303.15912	0.4
317.23541	0.4
332.84927	0.4
333.15128	0.7
334.15283	1.9
336.26016	0.7
348.07004	32.2
372.98691	0.7
373.99112	0.7
377.24966	0.4
408.18951	1.0
473.19266	0.6
528.30743	0.4
616.19171	0.8
634.20038	0.5
634.39172	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	633.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01869	4.8
55.05510	18.7
57.03423	5.2
57.07072	2.7
59.04998	3.6
65.03935	5.4
65.14365	1.2
67.05501	100.0
68.05836	1.4
68.86446	1.1
69.03425	36.5
69.07063	13.6
69.34094	5.6
69.34525	7.2
69.67300	1.1
71.04982	5.8
71.08640	1.5
79.05485	30.1
81.03413	23.3
81.07051	44.4
83.04977	9.7
83.08600	9.8
85.02903	4.2
85.06544	4.0
87.04457	2.6
88.80637	1.2
91.05473	30.4
93.07040	35.9
95.04982	10.2
95.08599	29.0
97.02885	4.7
97.06529	5.3
97.10168	5.7
99.04435	2.4
103.05486	1.6
105.07030	24.5
107.04976	3.5
107.07353	2.3
107.08583	21.3
108.08113	1.9
109.02866	4.4
109.06519	7.2
109.10149	58.3
110.10600	1.3
111.04405	4.8
111.08074	4.2
115.05447	1.8
117.07028	15.0
119.08561	20.0
121.06496	4.5
121.10127	12.4
123.04401	2.5
123.08081	4.5
123.11676	2.8
125.06007	1.4
125.09610	6.0
127.03906	1.8
128.06256	2.6
129.05479	1.8
129.07031	8.8
131.08565	15.4
133.06479	3.5
133.10129	12.4
135.08064	4.2
135.10439	4.7
135.11681	8.2
137.05989	2.1
137.09566	6.1
137.13280	1.5
139.11150	2.6
141.06992	3.5
142.07768	1.6
143.08545	8.4
145.06480	2.9
145.10118	13.8
147.08043	5.4
147.11647	8.1
149.09631	2.3
149.13287	3.9
151.07541	2.9
155.08524	5.6
155.10689	1.4
157.10129	7.4
159.08051	4.7
159.11650	10.6
161.09586	3.8
161.13228	4.2
163.11185	3.0
163.14745	1.6
165.12790	1.7
167.08536	3.4
169.10114	5.4
171.11642	6.1
173.11739	16.3
173.13263	5.3
175.11145	2.2
175.14819	2.8
177.12708	1.8
178.15889	2.9
180.17444	1.5
181.10051	2.2
183.11641	3.1
185.13289	4.3
187.11131	3.2
187.14859	1.7
189.11243	3.3
189.12778	1.9
191.14305	1.5
193.12128	1.6
195.11681	2.3
197.09695	1.6
197.13240	4.8
198.53323	1.4
199.14803	2.2
201.12807	2.0
203.10605	1.6
203.14355	1.7
207.11755	1.4
209.13303	3.0
211.11273	1.8
213.12697	1.7
215.14357	3.0
227.12645	1.3
229.14330	19.3
240.19501	1.4
241.19768	2.2
243.20982	1.4
259.20618	3.4
261.22119	2.6
273.22205	2.3
276.13754	1.9
277.21573	2.9
285.18820	1.7
289.21518	2.0
299.15021	3.8
301.21585	7.4
313.21634	2.0
314.27841	2.2
319.22708	4.0
327.23181	2.9
341.24789	3.9
351.23215	5.3
353.24445	1.5
369.24252	11.0
376.18555	1.8
387.25092	6.2
405.26382	2.0
443.27823	3.5
461.28903	4.7
480.43109	1.4
488.80429	1.4
489.35733	2.2
559.36346	1.9
589.40509	3.1
597.37708	6.3
603.41003	1.4
615.38708	8.3
633.39917	42.1
634.40558	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	633.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56192	1.4
53.03944	4.7
55.01868	5.2
55.05507	23.0
57.03437	5.3
57.07069	1.9
59.04997	4.9
65.03928	3.2
67.05499	100.0
67.40858	1.2
69.03424	35.9
69.07058	13.6
69.43781	3.3
69.44205	8.0
71.04985	6.1
72.27721	1.1
76.66441	1.2
79.05489	33.2
81.03414	26.5
81.07049	45.1
82.75565	1.2
83.04981	8.6
83.08601	10.8
85.02911	3.2
85.06555	5.0
91.05472	36.6
93.07036	39.0
95.04949	12.6
95.08599	30.6
97.02909	3.8
97.06532	4.6
97.10172	6.0
99.04472	3.1
103.05499	1.7
105.07026	29.1
107.04961	5.3
107.08589	23.9
109.02895	5.6
109.06512	8.1
109.10147	56.9
111.04427	6.3
111.08100	4.0
113.06003	1.5
114.65318	1.4
115.05457	2.1
117.07008	12.3
119.04933	1.2
119.08566	24.8
119.26562	1.3
121.06533	3.8
121.10143	16.7
123.08103	4.8
123.11739	2.2
125.09645	4.9
127.03919	1.8
128.06293	2.9
129.06999	8.3
130.07852	2.5
131.08551	17.9
133.06491	4.4
133.10132	17.7
134.84901	1.1
134.86212	1.1
135.08072	6.4
135.11688	8.3
137.09651	5.2
141.06984	4.2
142.07788	3.0
143.08537	10.3
145.06396	2.4
145.10109	16.1
147.08063	4.4
147.11662	9.7
149.06062	1.2
149.09673	5.2
149.13293	4.8
151.07533	3.0
151.11252	1.4
155.08604	4.5
155.10703	2.6
157.10130	9.6
159.08104	3.3
159.11731	9.5
161.06087	1.2
161.09633	4.6
161.13298	4.6
163.11252	3.4
163.14803	1.5
165.09114	2.0
165.12773	1.2
167.08502	1.5
169.10150	4.1
171.08008	1.5
171.11734	5.3
173.09621	3.2
173.11778	15.2
173.13298	5.2
175.11186	3.6
175.14790	3.0
177.12849	1.4
179.10736	1.5
181.10179	2.8
183.08073	1.4
183.11702	3.9
185.09682	3.4
185.13297	5.0
187.11224	1.8
187.14851	3.6
189.11255	4.1
189.12804	1.9
195.11705	2.7
197.13251	2.9
199.14856	4.7
201.09113	1.2
201.12790	3.4
201.16408	1.3
209.13490	1.8
211.11292	1.7
213.12778	2.5
221.13504	1.6
221.15488	3.4
223.14772	2.2
227.12666	1.8
229.14270	13.4
239.18060	1.8
245.13968	1.6
259.20581	1.5
261.22058	1.5
273.18628	1.3
273.22174	2.3
277.21613	2.6
287.20096	1.6
299.15036	2.3
301.21768	4.5
319.22733	3.3
323.23825	1.9
327.23303	1.9
331.22342	1.5
341.24951	3.5
345.24185	1.8
351.23236	6.6
353.24924	1.5
355.17682	2.5
369.24219	9.0
387.25436	5.1
405.26712	2.0
443.28061	2.5
455.75772	1.3
461.29034	4.3
489.35928	3.4
582.55884	1.3
597.38336	6.8
615.39197	6.7
633.39966	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01829	1.0
55.05462	3.6
55.93519	6.4
56.94255	2.3
57.03395	1.8
57.07043	1.2
67.05496	12.4
69.03388	1.4
69.07049	3.3
69.69012	0.6
70.06541	1.0
70.66727	1.4
70.95856	3.9
71.04947	0.8
71.92972	1.5
72.93778	13.1
73.94503	0.8
79.05484	7.2
81.03410	4.3
81.07046	11.2
83.04955	0.7
83.08581	1.5
85.02830	0.8
88.96861	1.6
90.94814	12.0
91.05473	5.9
93.07038	8.9
95.04943	3.6
95.08607	8.9
96.77644	0.6
97.02842	0.9
97.06467	1.4
97.10136	1.0
104.66614	0.6
105.07006	5.9
107.04949	0.7
107.08598	5.2
108.95853	5.5
109.02804	1.0
109.06454	1.8
109.10140	4.3
111.04458	0.8
113.96344	2.5
114.94759	1.2
116.96349	3.6
117.06953	2.4
118.94257	0.8
119.08572	6.7
121.06412	0.8
121.10135	5.2
123.08009	3.1
123.11656	1.3
125.06026	0.7
125.96095	0.7
126.96854	0.7
126.98358	2.9
128.06137	0.9
128.96300	1.7
129.06955	1.7
130.97832	0.9
131.08493	2.8
131.97430	1.2
132.95821	12.2
133.06448	0.7
133.10117	3.4
134.97403	5.1
135.07994	1.3
135.11636	2.2
136.06131	1.6
136.95306	1.1
138.98344	0.8
140.96252	0.8
141.06894	0.8
142.97850	1.6
143.08478	1.6
143.10095	0.8
144.95845	5.2
144.99451	4.5
145.10112	3.2
146.97360	5.2
147.07994	0.9
147.11615	1.1
148.98926	2.1
149.09532	1.3
150.95872	0.9
150.96886	9.6
151.01996	1.2
151.07472	2.3
151.97658	1.8
154.97873	0.9
155.08472	1.0
155.97412	0.9
156.95770	2.2
157.10054	2.5
158.97388	6.3
159.11671	1.8
160.98982	1.2
161.09535	1.1
162.96858	8.1
163.11105	1.4
163.98717	0.9
164.98457	43.7
164.99861	3.1
165.09094	1.8
165.97075	1.3
166.97861	1.2
167.08498	0.9
167.10588	1.0
168.95731	0.9
168.99408	0.9
169.10228	1.0
170.97375	4.8
171.11601	1.0
172.98923	2.7
173.13216	1.4
174.96828	2.5
175.11166	1.2
175.14752	1.0
175.97636	0.9
176.98422	6.3
178.97871	1.7
180.99413	0.8
181.12218	1.1
181.98880	1.0
182.97366	3.0
183.00972	1.0
183.98134	1.6
184.98956	2.1
185.13101	0.8
187.14688	1.2
188.00024	3.8
188.98456	5.6
189.03566	0.9
190.99977	1.7
192.97925	2.1
195.11519	0.9
196.98889	0.9
197.13232	1.2
198.96877	29.2
200.98451	4.2
201.03586	1.3
201.99158	0.9
203.00000	2.2
203.14165	0.9
206.99481	5.0
207.11682	1.0
207.13763	1.6
211.11362	0.8
213.01855	1.0
213.03679	1.3
214.44998	0.8
214.93071	4.8
214.99942	0.7
215.05234	0.9
216.97932	10.9
217.01401	0.9
218.99457	5.9
221.15334	2.6
223.04027	1.3
226.99928	0.9
227.05173	2.5
230.99478	7.3
233.01036	13.9
237.05882	0.9
239.99533	2.7
241.05182	2.7
242.99515	1.3
243.06538	0.8
245.00993	1.6
247.16820	0.8
255.06822	2.2
262.93057	15.7
270.95697	4.7
273.00607	4.1
275.07343	1.5
278.09628	0.8
279.08276	1.5
280.94165	10.4
281.09824	3.8
283.11292	2.0
285.94620	2.2
287.13547	0.7
298.95145	17.9
312.96713	5.0
316.96378	1.2
318.95569	0.9
321.96912	2.1
329.11929	6.6
331.13516	11.4
332.15137	1.0
333.15085	100.0
334.15448	2.4
335.25775	33.3
336.96646	7.7
351.16180	1.7
354.97748	8.6
371.99313	0.8
372.98846	52.3
374.17752	2.0
390.99741	0.8
407.18741	56.7
408.18835	0.9
414.01477	5.1
426.14700	0.8
573.18304	1.2
597.18256	1.0
615.19025	8.6
615.40247	1.3
633.20288	23.0
633.36011	5.2
633.43719	1.4
634.21112	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	631.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.7
55.01861	8.4
55.05496	30.8
56.96567	4.1
57.07068	12.4
59.04996	11.0
62.18877	4.0
63.32182	3.5
65.03932	6.9
67.05495	46.1
67.15536	4.2
69.03426	29.5
69.07069	26.5
69.93401	22.5
71.04996	5.3
77.40121	3.5
79.05484	43.1
81.03404	7.2
81.07043	60.3
83.04984	25.5
83.08192	3.9
83.08604	23.3
85.02914	4.2
85.06541	17.6
91.04938	8.2
91.05470	63.5
93.07037	85.7
95.04980	36.1
95.08596	43.9
97.06551	20.3
97.10159	5.4
99.04434	8.2
103.05448	7.4
105.07024	92.9
107.04958	9.9
107.08594	63.7
109.06498	34.5
109.10143	43.7
111.04391	4.9
111.08089	10.0
111.11733	6.3
113.09692	6.7
115.05439	7.1
116.06248	4.7
117.07056	26.6
119.04887	4.7
119.08559	74.6
121.06504	36.8
121.10136	100.0
123.04459	5.6
123.08054	43.1
123.11681	7.1
125.05988	10.7
125.08711	3.8
125.09576	20.8
128.06226	13.4
129.06978	24.0
130.07816	9.0
131.08524	45.6
133.06487	23.3
133.10115	58.4
135.04466	5.2
135.08058	39.7
135.11681	15.4
137.05913	5.6
137.09610	18.9
139.11212	5.2
141.06989	7.9
142.07750	23.8
143.08542	36.9
144.09338	9.5
145.06502	12.6
145.10106	54.9
147.08063	28.2
147.11670	17.7
149.09602	32.2
151.07535	41.7
151.11180	8.2
153.07005	6.1
153.09094	6.1
155.08571	25.4
155.10690	6.8
156.09357	13.9
157.10138	48.7
158.10890	7.1
159.08043	37.6
159.11681	29.1
160.08784	5.3
161.09641	21.7
161.13321	11.1
163.07486	7.1
163.11180	18.9
165.06985	11.2
165.09132	41.3
167.08543	13.0
167.10675	64.5
168.09299	7.4
169.10127	18.6
170.10895	11.4
171.08107	11.1
171.11667	33.4
173.09579	26.1
173.13237	25.4
175.07544	5.8
175.11179	16.5
175.14720	6.7
177.09077	11.5
179.08508	11.0
181.10164	25.8
181.12215	17.5
182.10921	8.0
183.07988	7.6
183.11722	21.7
185.09633	11.1
185.13243	18.0
187.07542	7.1
187.11160	18.1
187.14825	18.7
188.11745	6.3
189.09087	4.9
189.12718	30.5
191.14375	11.8
193.10106	17.5
194.10898	5.5
195.11690	30.1
196.12497	7.7
197.09618	12.8
197.13268	21.4
199.11168	22.8
199.14879	13.9
201.09149	12.3
201.12743	11.4
203.08711	5.9
203.10614	8.6
203.14336	21.2
206.10808	6.7
207.11659	18.9
207.13812	19.8
209.13254	20.6
209.15363	14.5
211.11217	12.4
211.14824	16.3
213.12830	12.7
215.10696	6.0
215.14316	13.3
220.12584	5.7
221.13205	9.9
221.15295	72.7
223.11137	14.3
223.14816	16.2
225.12726	12.8
225.16394	11.3
227.10609	8.1
227.14403	5.2
233.13248	8.2
233.15337	80.6
235.14789	9.4
236.15393	5.7
237.12718	7.3
237.14597	5.6
237.16556	8.8
239.10748	6.3
239.14430	7.3
240.37015	4.6
241.12169	11.5
247.14735	7.1
247.16971	9.7
249.12740	10.1
249.16495	6.7
251.14236	7.5
255.17505	10.7
257.15454	6.1
259.13147	10.9
261.12662	6.7
261.16428	5.7
263.14066	4.7
265.15836	6.5
273.18524	11.1
277.15692	4.4
279.17416	6.2
285.18658	5.1
287.12955	5.0
287.20099	6.1
291.17188	5.7
297.18393	14.4
307.20279	4.6
315.19489	30.2
327.19873	5.0
343.19000	70.3
391.26187	4.9
409.23682	9.5
441.29132	6.1
467.31726	6.1
507.34558	5.2
577.37097	7.3
595.37610	13.6
599.40240	6.9
613.38715	24.4
631.41199	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	629.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55786	0.6
53.03923	1.2
55.01848	1.5
55.05500	1.3
56.05043	0.9
56.96549	1.1
60.22754	0.7
61.61176	0.6
65.03024	0.7
65.03912	2.6
66.03445	1.5
67.05490	2.7
69.03419	1.5
69.07045	0.8
70.06589	5.8
72.08131	2.1
79.05476	2.6
80.05003	1.4
81.03397	2.2
81.07038	3.4
81.73709	0.6
82.06565	1.2
83.04961	1.0
84.08113	2.8
85.02882	2.2
86.09678	2.4
91.05473	5.2
92.04935	0.6
93.03391	4.3
93.07055	4.4
94.06563	7.1
95.04932	2.0
95.07336	4.4
95.08575	1.2
96.08114	6.6
97.02856	1.5
97.06508	2.3
98.21519	1.5
103.05489	1.1
105.07016	2.7
106.06526	2.4
107.08548	1.2
108.04473	2.8
108.08111	9.1
109.02856	1.2
109.10168	1.4
110.07156	1.0
110.09682	10.6
116.04950	1.1
118.06517	2.2
118.11032	1.0
119.08575	1.6
120.04443	5.2
120.08102	9.2
121.06479	1.5
121.10126	1.3
122.06041	5.6
123.11705	1.0
124.07591	10.6
125.05956	0.8
127.03919	1.2
131.08571	1.0
133.02794	0.9
134.06030	4.4
135.08087	0.9
136.07571	7.6
137.05992	1.0
138.09129	12.4
144.04468	1.3
144.08130	0.8
146.06001	89.5
147.04344	0.7
148.07574	5.3
150.09076	0.8
152.07051	2.8
157.10190	0.9
159.09213	0.8
160.03961	1.1
160.07622	1.2
162.05515	1.5
163.03845	0.9
163.07532	0.8
164.06981	1.6
166.08638	12.1
168.07997	0.9
172.03943	4.1
172.07558	1.1
174.05472	0.8
176.07062	1.8
177.05493	0.7
177.16414	0.8
182.09668	1.2
183.09219	1.3
184.09921	1.7
184.11371	0.7
187.08661	0.8
190.04980	16.9
194.09706	0.8
195.09119	1.1
196.09880	1.6
197.10768	2.3
198.11580	1.2
199.08757	0.8
199.12344	2.6
209.10750	2.3
210.09297	1.1
210.11559	1.3
211.08640	3.7
211.12245	1.7
212.09445	2.2
213.10202	2.1
223.08693	1.3
223.12328	2.3
224.09363	1.2
225.10233	8.6
226.10974	1.9
227.11774	18.6
227.13922	1.2
229.13351	1.0
233.10799	0.6
235.08604	0.9
236.09435	1.3
237.10225	3.4
238.10959	3.6
239.11708	5.0
241.09830	1.0
241.13356	3.2
243.11401	1.1
245.13051	0.8
249.10233	2.6
250.11121	1.1
251.11794	4.6
252.12508	0.7
253.09750	3.2
253.13376	4.9
255.11337	2.3
257.12915	0.9
262.11099	0.7
263.11810	1.1
264.09018	1.3
267.11349	2.3
269.12839	12.8
271.10812	3.2
271.14435	8.4
273.12302	4.2
277.09787	0.8
279.11224	3.6
281.09854	0.9
281.12799	4.3
283.10818	5.4
284.11597	2.8
285.12292	9.4
286.13205	1.0
287.05499	1.2
287.13889	27.3
288.14709	1.2
290.13074	0.8
295.10855	2.4
297.12335	9.5
299.13892	100.0
300.11441	0.9
300.14508	2.8
301.12305	1.3
302.12860	1.1
307.10995	0.9
309.12363	1.4
310.13324	0.9
311.14111	2.0
312.15265	1.1
313.12976	1.1
314.13034	2.8
315.13583	3.2
316.14429	5.1
317.15424	1.0
318.16153	1.4
321.12445	1.1
323.10278	2.8
325.11810	10.9
326.13168	0.7
327.13968	1.6
328.10852	1.4
328.14548	3.2
329.15433	1.0
330.12424	1.0
330.16000	7.9
331.16833	7.2
332.17499	1.1
342.12466	3.3
342.16187	1.5
343.13000	5.9
343.16708	0.9
344.13849	1.9
344.17648	1.5
345.22833	0.8
346.19266	1.1
354.16406	1.1
356.13943	4.0
357.14777	2.1
358.15530	7.6
359.16174	1.2
360.16928	0.8
363.24216	1.6
370.15710	3.0
371.16632	1.8
372.17099	5.1
373.17932	5.2
374.14804	0.9
378.18045	9.0
381.26028	2.3
382.11874	1.5
383.12631	1.0
384.13510	1.1
386.18719	1.6
387.16190	0.8
390.18005	9.9
394.15540	0.9
398.14960	5.7
399.15729	9.5
400.16635	1.5
402.18347	2.5
404.15869	1.2
414.18109	6.4
415.16522	1.6
416.15997	6.7
420.19177	15.0
422.16803	1.0
428.16330	1.8
432.19186	47.3
433.19708	1.0
440.16003	2.6
446.17001	6.9
447.17654	1.0
458.17068	16.7
460.18753	1.2
462.20206	2.2
476.18188	1.2
513.30396	1.1
525.24457	1.1
543.31952	1.5
549.24554	0.7
565.24670	1.1
567.25775	5.5
568.24420	6.0
569.24127	3.9
583.25751	1.9
585.25751	10.2
593.23865	3.8
611.24835	23.7
629.31464	23.8
659.86298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83117	0.8
52.07164	0.9
53.03939	1.2
55.01871	0.8
55.05497	1.2
56.96569	1.1
57.03416	0.8
61.02905	1.0
66.03452	1.6
67.05483	2.9
69.03432	1.3
69.07041	1.0
70.06581	2.2
79.05471	3.3
81.03421	1.4
81.07050	2.1
82.06556	1.7
84.08112	2.2
85.02875	1.4
91.05475	4.0
93.03392	3.5
93.07037	4.6
94.06569	7.3
95.04945	2.2
95.07346	3.2
95.08585	2.0
96.08131	6.7
97.02866	1.2
97.06543	3.9
101.70565	0.8
105.07047	1.8
106.06557	1.1
107.07277	1.2
107.08595	1.4
108.08107	6.2
109.43826	0.9
110.09678	9.8
116.04965	1.1
118.06535	2.2
119.08550	1.1
120.04421	4.1
120.08098	9.8
121.10136	1.1
122.06026	6.7
124.07591	11.2
131.08588	0.9
133.10139	0.9
134.05960	5.1
136.07559	5.5
137.09541	0.9
138.09142	12.9
144.04422	1.9
146.05997	84.3
148.07568	4.9
152.07008	3.1
160.03937	1.3
162.05484	1.9
164.06995	1.0
166.08649	12.4
172.03947	4.7
176.07118	1.3
182.09706	1.3
184.07585	0.9
184.09877	1.6
186.09085	0.9
190.05000	17.8
197.10733	2.3
199.08717	1.6
199.12332	2.0
209.10800	2.1
210.09325	1.3
210.11424	1.5
211.08655	4.2
211.12234	1.7
212.09360	3.0
213.10226	1.2
223.08699	1.5
223.12204	1.4
224.09406	1.7
225.10274	5.7
225.13792	0.9
226.10872	1.2
227.11739	15.7
235.08583	1.0
236.09430	1.0
237.10170	3.6
238.10887	2.7
239.11707	4.5
240.12355	0.8
241.13324	2.3
243.11185	1.0
249.10231	1.1
251.11760	3.1
252.12494	1.1
253.09669	3.4
253.13429	4.5
264.08942	2.0
265.09720	1.2
265.26767	0.8
267.11340	1.4
269.12878	10.9
271.11087	4.9
271.14331	6.8
273.12335	3.2
277.09924	0.8
279.11264	2.3
281.12866	2.4
283.10770	4.1
284.11542	2.7
285.09634	1.1
285.12473	6.3
286.12958	2.9
287.13882	31.4
289.13159	2.1
290.13028	1.4
295.10638	1.8
297.12286	10.0
298.13364	1.2
299.13889	100.0
300.14154	2.3
301.12210	1.3
302.12805	1.1
311.13785	1.5
313.12637	1.3
314.12894	2.4
315.13559	3.1
316.14496	4.8
317.15262	1.4
318.16159	1.2
323.10159	3.0
325.11621	9.2
327.13522	2.0
328.10812	1.5
328.14505	1.6
330.16022	6.4
331.16830	5.3
339.13593	1.3
340.14606	1.3
342.12329	4.6
343.12836	5.8
343.16696	0.9
344.13812	1.6
344.17621	2.4
346.19211	1.4
356.14087	4.8
357.14420	2.4
358.15393	5.7
359.16223	1.0
370.15540	2.9
371.16348	1.0
372.17139	4.2
373.17960	5.0
378.18082	7.6
381.25296	1.1
382.11835	2.3
383.12692	1.0
384.13422	1.9
385.13611	1.1
390.18033	9.3
398.14917	8.1
399.10931	1.8
399.15717	8.9
400.16122	0.9
402.18069	3.3
404.16095	1.7
412.16803	1.3
414.18158	4.6
416.16141	7.1
420.19144	13.9
432.19174	47.8
433.19400	1.6
440.15964	1.2
446.17178	6.6
458.11087	1.5
458.17105	15.9
476.17899	1.2
525.24957	1.7
543.25439	1.1
567.26050	5.6
569.23590	3.1
583.25177	1.3
585.26068	11.9
593.24323	5.1
611.25061	28.4
612.25201	1.2
629.31659	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	628.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
54.32191	1.2
55.01880	2.6
55.05510	2.5
56.05031	1.8
57.03412	1.9
58.84988	1.2
67.05489	3.3
69.03434	2.2
69.07057	3.7
70.06585	22.3
71.04993	2.4
71.59457	2.3
72.08155	9.4
79.05494	11.9
80.05032	2.4
81.03413	4.3
81.07056	5.8
82.06577	1.6
83.04958	3.1
84.04494	2.8
84.08132	13.8
85.02900	5.5
86.09692	21.1
87.09988	1.3
91.05448	8.2
93.07041	10.3
94.06571	3.5
95.04960	4.8
96.04492	1.6
97.02901	5.2
97.06532	4.9
102.05570	2.4
103.04867	1.6
103.05453	7.8
105.05736	2.3
105.07025	3.6
106.06527	1.6
107.08582	3.7
108.08117	8.3
109.02863	2.9
109.06528	1.7
109.10145	2.3
110.07157	3.8
110.09675	4.1
111.08057	2.3
112.07634	2.1
116.28487	1.3
117.05506	2.3
118.06537	2.3
119.04939	2.1
119.07347	2.1
119.08585	3.5
120.08098	46.3
121.02877	2.1
121.06485	3.1
121.10115	1.9
122.06061	3.5
122.09641	2.0
123.08080	1.6
123.11693	1.7
127.03861	1.6
129.10229	5.7
131.08583	3.3
132.10051	1.4
133.65456	1.3
135.11603	1.9
136.07573	19.3
137.05931	2.9
138.05475	2.5
138.09123	4.6
139.21378	1.5
146.05997	7.1
147.04404	5.2
148.07565	100.0
149.02370	1.6
149.09608	1.8
150.01834	1.4
150.09187	2.5
152.07121	2.8
158.07773	1.5
159.11588	1.4
163.03937	2.5
164.07025	2.2
166.04982	1.7
166.08623	6.3
172.03833	1.6
174.05424	2.3
175.03955	4.1
177.05539	1.9
205.09773	1.9
206.08153	3.2
207.06645	7.0
209.10788	1.5
211.08640	3.5
222.07846	1.6
223.08701	4.2
224.09245	2.4
225.10182	5.7
227.08099	3.0
237.10229	14.9
238.10966	2.7
239.08090	7.2
239.11763	5.2
240.08873	1.5
241.09665	4.1
251.08159	3.8
252.08658	28.5
253.09695	11.3
255.11317	3.0
265.09656	25.6
266.10486	3.5
267.07855	3.4
267.11292	8.5
269.09195	2.6
271.30075	1.6
281.09113	17.3
283.10760	9.2
287.10342	3.4
293.09207	22.5
295.10800	15.0
299.10303	5.2
300.05496	1.7
301.11795	3.9
307.11105	1.5
309.08771	2.9
311.10291	20.1
311.13669	2.2
313.11911	6.3
321.08667	11.3
326.28146	1.7
327.09674	16.0
327.13248	2.2
328.10229	1.8
339.09735	46.8
339.13806	2.4
340.10278	2.2
341.11618	3.4
353.11255	6.9
356.14279	1.6
358.15485	1.9
359.12344	17.4
360.13129	1.6
371.12344	34.5
372.12958	2.2
374.18573	1.4
390.18570	1.6
400.16501	4.2
402.17847	1.6
418.17719	2.1
428.15851	3.2
430.17789	2.8
434.17215	1.4
446.17096	5.6
448.18460	2.3
464.18030	3.4
467.18201	2.0
474.16656	16.1
478.19632	2.5
488.18167	1.8
492.17621	7.0
506.19104	13.8
524.20044	2.9
534.18665	15.1
543.50568	1.6
550.18018	6.0
560.16608	4.2
566.21332	10.2
578.17645	77.9
579.17804	5.1
585.19684	1.6
590.18201	1.6
592.19263	4.1
607.96112	1.6
610.20367	12.6
628.27869	2.3
628.36536	6.7
629.18140	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	627.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.8
54.61015	2.5
55.01870	20.6
55.05513	41.2
57.03436	11.4
57.06263	2.9
57.07069	3.9
59.93612	2.5
65.03931	3.7
67.05498	97.0
69.03425	4.3
69.07066	35.4
71.04993	6.8
71.08619	4.4
72.08145	3.4
79.05493	71.7
81.03414	6.6
81.06575	5.2
81.07053	100.0
83.04980	8.4
83.08615	21.3
83.99664	2.6
85.06510	3.7
87.93945	3.0
88.27528	2.8
91.05480	63.4
93.07040	76.7
95.04986	19.4
95.08601	61.7
97.06516	24.3
97.10207	13.5
99.08134	5.1
105.07020	55.0
107.04932	16.3
107.08588	59.8
109.06514	11.8
109.10154	26.4
111.08050	3.8
117.06999	24.2
119.08583	42.8
121.06512	5.7
121.10133	27.0
123.08067	4.6
123.11716	11.9
125.09623	9.7
128.06265	3.5
129.07001	7.6
130.07751	2.8
131.08577	42.8
133.10121	36.2
135.08098	6.6
135.11681	18.1
141.06992	3.6
143.08566	15.7
145.10100	33.4
147.08006	3.3
147.11685	25.4
148.58896	2.9
149.09627	27.6
149.13274	9.3
151.11177	4.5
155.08517	6.4
157.10130	16.7
159.11667	20.8
161.09653	4.1
161.13275	12.1
163.11194	12.0
163.14836	4.9
169.10133	9.6
171.11710	15.3
173.11845	4.8
173.13281	17.9
175.11162	3.1
179.14249	5.5
181.10037	3.2
183.11723	7.9
185.13266	11.7
187.14842	9.9
189.11215	6.1
195.11673	4.0
197.13246	8.0
199.14864	7.2
201.16464	4.5
205.12296	3.0
209.13190	3.8
211.14786	3.9
213.16399	3.9
215.14386	3.4
219.17482	6.8
223.13315	4.0
227.12781	11.9
227.17961	5.5
239.18002	5.1
243.21216	3.3
249.16435	2.8
251.39828	3.1
253.19644	4.0
257.18918	8.1
259.20700	3.0
261.22018	5.2
267.15762	3.0
269.23221	2.9
275.16913	4.4
275.20035	69.6
277.21735	7.8
293.21170	10.6
313.25101	3.6
317.24829	4.2
333.24182	5.0
335.25870	38.3
349.23770	24.8
351.25278	2.7
388.19125	2.6
486.95081	3.0
515.37384	6.0
517.40424	6.9
529.95856	3.2
535.41309	7.8
553.42810	3.5
555.40723	9.2
609.45142	66.2
627.36584	5.0
627.46185	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2807
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05520	1.6
56.26916	1.1
65.03939	1.0
67.05494	3.7
69.07072	1.6
70.06566	1.1
71.60643	1.2
72.08147	3.7
79.05481	2.9
81.03410	1.3
81.07061	3.0
91.05489	3.4
93.07041	3.3
95.04935	1.3
95.08607	2.5
101.86165	1.2
105.07017	1.5
106.02949	1.3
107.08556	2.3
109.10152	1.9
115.42765	1.0
117.00556	1.1
117.06984	1.6
119.08585	2.0
121.06485	1.2
121.10150	1.6
126.10830	1.2
132.08037	1.7
145.10123	1.6
147.11682	1.2
160.07648	1.2
174.09138	3.3
175.50838	1.2
182.09615	1.5
187.12314	4.7
188.10719	3.1
211.08675	1.8
212.09328	1.3
215.11786	4.1
224.09444	1.4
225.10205	2.3
227.11736	2.7
229.09689	1.0
235.08537	1.8
239.11739	2.2
241.13338	2.3
243.11266	26.1
249.10242	1.9
251.11725	1.7
253.09734	2.3
267.11230	7.0
269.12958	1.8
277.09735	1.7
285.12430	2.0
295.10922	2.6
303.13403	1.1
309.12375	2.5
314.13004	2.4
315.13660	1.5
316.10925	1.6
319.10641	1.6
325.15439	9.8
327.13443	2.3
328.10712	2.3
328.14383	2.1
329.11661	2.1
330.12234	3.9
330.15958	1.7
334.15491	1.6
342.12497	3.9
343.13092	4.4
344.13916	4.9
345.14508	1.5
346.15698	2.0
348.13394	4.8
356.14059	2.7
357.14529	1.7
358.15405	2.5
360.17114	1.5
370.15695	2.4
372.17093	3.7
373.17950	1.2
374.14883	1.7
384.16992	1.3
386.18878	1.9
400.16492	3.5
403.15811	1.6
414.17926	1.4
417.16745	1.4
432.18994	3.4
435.13995	2.6
436.19574	1.2
437.19958	1.9
447.21729	3.8
449.15433	1.8
450.16415	1.5
451.17258	1.5
451.21765	1.5
460.18555	2.4
461.23706	2.0
462.24280	2.1
463.21777	2.3
464.17642	1.3
465.18784	17.0
473.64191	1.2
478.20111	2.5
479.20438	8.1
480.21390	5.9
481.22345	3.1
489.23517	1.3
490.20407	2.0
491.20450	1.6
492.21573	3.9
493.22729	2.3
504.21021	2.2
505.21985	1.4
507.23682	4.7
508.21078	1.9
517.22272	2.5
535.23212	7.8
549.24969	16.7
553.23633	1.3
567.25977	90.7
568.26208	2.2
577.24146	2.0
595.25470	100.0
596.25702	1.7
627.27924	42.7
627.44537	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	627.2808
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.14794	0.4
55.05485	1.4
57.07050	0.6
65.03916	0.5
67.05488	3.1
69.07019	0.9
69.28789	0.5
69.71818	0.5
69.93272	2.4
70.02909	0.5
70.06560	0.4
72.08112	1.3
73.82406	0.5
79.05476	2.3
81.03383	0.7
81.07036	2.3
83.08602	0.9
91.05444	2.0
93.07003	2.0
94.31834	0.4
95.04939	1.4
95.08563	1.5
96.08101	0.9
97.06497	0.5
105.06997	1.5
106.06509	0.6
107.08539	0.8
109.10113	1.0
117.07001	0.4
119.08511	1.2
120.08156	0.6
125.09559	0.6
129.06946	0.5
131.07248	1.3
131.08492	0.9
134.05991	0.5
135.11635	0.6
136.07523	1.5
138.09132	0.8
141.06895	0.5
143.08493	0.7
143.17526	0.5
144.08044	0.7
144.09294	0.5
145.08838	0.6
145.10052	1.0
146.05910	0.5
146.09578	0.7
149.09528	0.5
157.10118	0.7
160.03848	0.5
170.09599	1.0
171.11679	0.7
172.07516	0.8
174.09119	4.8
182.09679	0.9
185.07039	0.9
186.09184	0.9
187.08626	1.1
187.12248	4.0
188.10704	2.3
190.05107	0.9
196.09900	0.7
197.06999	0.6
197.10736	1.0
198.09207	0.8
199.08604	0.6
199.12161	0.6
200.09338	1.1
209.07050	0.5
209.10750	0.6
210.07692	0.6
211.08687	2.2
211.12440	0.5
212.09261	0.5
213.10217	0.8
215.11778	3.6
223.08609	0.5
223.12239	0.9
224.09317	1.2
225.06494	0.7
225.10179	3.1
226.08707	0.6
226.10861	0.6
227.11771	3.5
235.08687	1.6
235.75002	0.5
236.09430	0.7
237.10147	1.2
238.11079	1.1
239.11777	3.5
240.12469	0.7
241.09799	0.8
241.13309	2.6
243.11267	28.2
249.10194	2.7
250.10919	0.8
251.11784	2.0
252.08966	1.4
253.09680	1.8
255.11174	0.7
263.11667	1.1
265.09714	1.2
265.13031	0.8
266.10712	0.5
267.11246	7.5
268.12067	0.5
269.12891	2.1
271.10620	0.7
277.09647	2.7
283.11072	0.7
285.12393	2.7
291.11139	1.5
293.12488	0.6
295.10736	3.8
297.12137	0.6
299.13898	1.5
300.11368	1.2
301.12350	1.0
301.15417	3.4
302.13028	0.5
309.12314	2.9
313.12369	0.7
314.12958	2.0
315.10065	0.6
315.13754	1.3
316.10794	1.4
316.14371	0.9
317.11682	1.0
318.12222	0.5
319.10699	1.8
320.13934	0.7
325.11810	0.9
325.15463	9.2
326.12949	0.9
327.13373	6.9
328.10803	1.7
328.14362	1.8
329.11545	1.9
329.15210	0.6
330.12375	3.3
330.15900	1.1
331.13251	1.3
332.13733	0.8
334.15543	1.2
340.10889	0.6
341.11710	0.6
342.12366	3.8
342.15811	0.9
343.13120	4.3
344.13965	3.9
344.17596	0.7
345.14600	1.7
346.15753	2.3
348.13339	4.3
351.13318	1.4
354.12350	1.1
355.13315	1.1
356.13818	4.4
357.14664	1.6
358.15479	4.6
359.16196	1.3
360.16910	1.0
366.18060	1.1
370.11411	0.7
370.15741	3.0
371.16388	1.3
372.13412	0.6
372.17160	4.7
374.14780	1.2
374.19012	0.7
377.13507	0.5
382.15601	0.7
384.13162	1.0
384.17441	1.0
385.17874	1.0
386.14294	2.3
386.18765	1.9
388.16919	0.6
392.17624	0.6
393.17606	0.7
394.18149	0.6
398.14957	1.4
399.15741	0.9
400.16415	3.2
403.16061	2.0
404.16467	0.7
406.17950	0.8
407.15356	1.4
408.16092	0.9
412.16541	1.1
414.18427	0.8
416.15955	1.3
417.16885	0.9
418.17444	1.7
419.18954	1.1
420.16415	0.8
421.16467	0.8
422.17575	1.1
423.17953	0.8
428.15756	0.8
430.17642	1.1
431.18472	1.9
432.19492	4.6
433.20532	1.0
434.18561	0.6
435.14377	1.5
435.19104	1.2
436.19809	1.1
437.19888	2.7
442.17645	1.0
444.19452	1.0
445.20264	0.8
447.21576	2.6
448.15167	1.0
449.15787	1.5
449.20721	1.0
450.16092	1.1
450.21497	0.8
451.17651	2.6
452.22189	0.8
460.18204	1.7
461.23279	2.2
462.24738	4.1
463.22205	4.0
464.18195	0.8
464.22559	0.6
465.18674	14.2
466.19238	1.3
473.19772	0.7
474.20166	1.0
475.21158	0.9
476.19086	0.6
477.19601	1.8
478.19843	2.1
479.20511	6.5
480.21552	4.4
481.22546	4.2
487.17807	0.8
489.22977	2.3
490.21143	0.9
491.20749	1.6
492.21646	3.6
493.22845	4.3
494.22803	0.9
503.20190	0.7
504.21188	2.9
505.18475	0.7
506.22855	1.4
507.24030	5.4
508.21436	1.4
517.22253	2.0
518.20691	0.7
519.20477	0.5
520.20972	1.3
521.24493	0.6
534.23035	0.6
535.23419	7.6
537.21497	0.7
539.26581	0.9
540.23438	0.9
541.24042	2.0
549.24908	14.1
550.24042	0.8
552.23865	1.0
553.24530	2.3
554.24084	0.6
563.22693	1.5
567.25977	70.2
568.26440	1.7
577.24689	1.7
581.28375	0.5
595.25439	45.7
596.25867	0.7
599.28589	0.6
609.26990	1.2
609.44720	1.1
627.28046	100.0
627.45441	3.1
628.28333	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	627.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51810	1.4
55.01862	2.1
55.05493	2.3
56.96554	2.3
57.03422	1.4
65.03930	2.2
67.05485	6.8
69.03400	1.8
69.07060	3.6
70.06568	5.7
71.04984	2.6
71.60452	2.6
72.08138	1.6
79.05479	4.7
80.05002	2.1
81.03391	2.2
81.07035	5.3
82.06584	1.7
83.04940	1.8
83.08579	1.8
84.08115	3.6
85.02898	4.6
85.30132	1.5
86.09684	1.9
86.56598	1.5
91.05479	10.9
93.07039	10.8
94.06554	7.1
95.04959	4.4
95.07344	6.7
95.08596	4.6
96.08115	11.1
97.02867	3.4
97.06506	5.0
103.05447	1.7
105.07060	2.3
107.08578	3.0
108.08102	11.4
109.02945	1.7
109.06535	1.6
109.10155	3.6
110.09667	20.5
117.03342	1.6
117.07059	1.6
119.08528	2.3
120.04448	4.6
120.08102	13.9
121.06499	15.7
121.10137	1.6
122.06004	2.5
124.07593	3.8
127.03833	2.3
129.06953	1.7
133.10091	1.4
136.07585	7.4
136.12119	1.7
137.05975	7.4
138.09126	26.1
143.15674	1.7
144.04437	2.3
145.02806	3.8
145.10136	1.5
146.05991	26.0
147.11627	1.6
148.07532	3.8
159.11703	1.8
163.03976	3.0
163.11163	1.6
164.07080	1.7
166.08640	21.1
172.03963	4.9
177.05461	7.0
184.07593	3.9
185.72379	1.5
187.12325	2.7
190.04933	16.4
198.09181	6.9
209.10722	2.5
211.08754	3.1
215.11865	9.4
219.38780	1.5
223.12236	2.7
225.10196	4.3
226.08568	2.6
227.11766	3.6
236.09468	2.4
237.10104	5.4
238.11082	2.8
239.11916	2.1
241.09668	7.2
243.11281	27.4
249.10265	3.3
251.11800	5.6
253.09801	2.1
253.13347	2.3
255.11346	4.5
257.12823	2.6
259.09732	1.9
267.08939	2.4
269.12775	6.6
271.14111	1.9
279.11279	4.3
283.10748	3.8
284.11511	2.3
285.12326	53.3
294.08301	2.2
296.11530	15.3
297.12289	6.5
298.13245	1.8
299.13965	21.3
301.11911	5.7
303.13687	2.1
308.09848	2.0
314.13318	5.2
315.13919	2.2
325.11188	6.4
326.11084	5.0
327.11023	3.1
328.14502	4.4
329.11682	2.7
330.12296	6.4
330.15680	2.9
340.14240	2.6
342.12259	7.5
342.16031	2.7
343.13019	3.1
344.13806	4.0
345.14645	4.5
353.09589	4.0
356.13855	7.4
357.14798	4.0
358.15488	9.4
370.15335	5.1
371.16214	1.8
372.17078	3.6
373.17752	3.3
374.18655	4.6
379.24210	2.8
386.18802	2.9
400.16547	20.0
402.14722	2.0
412.16431	5.6
415.14951	2.1
417.16934	3.3
418.17587	100.0
430.17609	32.8
431.17825	2.5
464.19507	4.3
466.89172	1.8
555.26349	1.9
565.23883	4.8
583.25104	7.9
627.15747	2.3
627.29285	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01857	0.4
57.03416	0.8
61.02922	2.1
68.99782	0.4
69.03426	2.1
70.06578	1.1
70.75419	0.8
71.04961	0.5
72.08158	0.4
73.02899	0.6
81.03419	1.5
84.08136	0.4
85.02898	11.2
86.09696	0.7
86.78214	0.3
91.03928	1.3
93.03397	0.4
97.02890	4.1
99.04443	0.5
109.02843	1.1
111.00791	1.1
119.04911	0.5
121.02888	1.0
123.04448	0.5
127.03908	2.9
129.10223	0.4
137.02321	3.2
137.03288	0.5
145.04953	2.5
147.04405	1.5
153.01825	2.8
163.03912	0.5
163.05974	0.8
165.01868	2.1
173.05988	0.5
183.02864	0.8
183.04408	0.4
201.05476	1.3
209.43504	0.3
215.11208	0.3
229.04953	4.1
247.05902	0.4
257.04382	2.9
274.04758	0.8
275.05051	0.3
285.03879	1.5
299.71991	0.3
303.04965	100.0
304.05273	1.7
307.17194	0.4
315.05075	0.8
327.05234	0.4
345.05981	1.7
354.45956	0.4
369.05994	0.6
447.08844	0.7
459.80927	0.4
465.09952	1.0
467.60687	0.4
511.06790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.2
56.96538	0.3
57.03428	0.4
58.51392	0.1
59.65385	0.2
60.36261	0.1
61.02923	4.7
65.03919	0.2
68.99782	0.3
69.03423	1.1
69.44115	1.4
70.06588	1.7
72.08163	0.3
73.02917	1.1
73.09702	0.1
73.94151	0.2
74.06052	0.2
75.84534	0.2
81.03408	0.6
84.04440	0.2
84.08138	1.0
85.02416	0.3
85.02901	4.5
86.09692	0.4
87.04448	0.2
91.03952	2.2
91.05460	0.5
97.02900	2.1
98.20783	0.4
98.97552	0.2
99.04439	0.2
105.08436	0.2
109.02846	0.4
110.07132	0.5
111.00758	0.9
111.04435	0.2
112.83575	0.2
115.03909	0.2
119.04945	0.9
120.08088	0.2
121.02867	1.2
127.03916	0.9
129.10233	0.3
134.99579	0.2
136.07581	0.4
137.02322	2.7
145.04961	0.6
147.04408	3.4
148.04761	0.5
149.02328	0.3
153.01817	3.2
155.05000	0.2
161.06009	0.3
163.03932	0.7
165.01811	2.2
166.02634	0.2
173.05966	0.3
177.00729	0.3
177.05522	0.2
183.02917	0.8
201.05521	1.3
205.04964	0.3
213.05428	0.2
219.06529	0.4
229.04922	3.6
237.02922	0.3
247.05949	1.0
257.04419	2.5
274.04688	0.6
275.05289	0.3
285.03879	1.2
303.04965	100.0
304.05304	1.7
345.06046	0.2
419.11401	0.2
463.10672	0.2
465.10257	8.1
480.07657	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.6
55.01862	11.3
55.05508	42.7
56.96559	4.9
57.03426	10.9
57.07070	3.9
65.84476	3.2
67.05500	81.6
69.03410	5.5
69.07066	29.9
70.06593	4.0
71.04984	6.7
71.08637	3.8
71.60868	3.5
72.08146	11.5
74.41288	2.7
79.05482	62.5
81.03407	8.4
81.06572	5.7
81.07046	82.2
83.04955	8.7
83.08608	19.2
85.06542	6.7
91.05473	55.6
93.07033	57.1
95.04966	10.4
95.08598	55.3
95.58755	2.8
97.06543	13.6
97.10167	8.8
99.08038	3.8
105.07025	56.7
107.04974	9.0
107.08576	32.0
109.06501	5.4
109.10159	38.7
111.08112	7.7
117.07002	25.3
119.08572	43.6
121.06496	5.3
121.10113	22.7
123.08084	5.2
123.11716	8.6
125.09646	8.8
128.06233	4.6
129.06985	25.3
130.07837	3.1
131.08545	33.3
133.10117	27.9
135.08054	6.7
135.11697	12.6
137.09613	3.3
141.07025	8.9
142.07756	4.3
143.08557	25.8
145.06419	4.2
145.10120	32.5
147.08078	3.1
147.11641	18.5
149.09625	7.4
149.13182	6.9
151.11172	3.0
155.08549	14.2
156.09396	4.0
157.10133	24.7
159.11691	25.7
161.09637	5.8
161.13293	10.2
163.11182	7.2
163.14874	3.2
164.98427	4.0
165.12730	4.3
167.08623	6.8
168.09286	3.1
169.10097	17.6
171.11665	20.3
173.11826	6.2
173.13268	14.9
175.14862	6.7
177.12590	3.4
181.10208	12.1
183.11659	16.4
185.13255	12.3
186.38466	3.5
187.11206	3.5
187.14851	6.6
193.10130	4.9
195.11702	12.3
197.13287	11.9
199.11194	3.4
199.14836	7.7
201.16512	4.5
205.01439	2.7
207.11731	3.9
209.13301	12.1
211.14882	10.3
213.16415	4.6
221.13206	5.6
223.14922	10.3
225.16437	3.6
227.18016	5.1
235.14784	4.1
237.16562	4.2
239.18021	6.5
241.19521	6.0
257.18930	5.3
259.20572	7.5
265.19583	4.6
275.20169	11.4
282.97968	4.8
315.23215	4.7
333.15326	8.7
333.24188	5.9
349.23758	6.8
365.28506	4.5
421.31113	5.3
439.31897	3.8
475.95950	3.4
513.35522	22.4
515.38660	9.1
527.37219	5.5
533.39984	15.0
551.41028	11.6
559.69580	4.0
607.43494	59.9
608.45172	4.2
617.23059	17.2
625.23834	13.9
625.44592	100.0
626.45319	4.8
637.86176	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	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
54.95250	1.9
55.01871	10.9
55.05263	2.9
55.05508	38.0
57.03435	9.5
57.07071	5.3
59.04994	1.9
65.03925	4.6
67.05499	56.7
68.76376	1.9
69.03415	3.4
69.07060	28.4
69.07417	3.1
69.48102	3.1
69.48503	13.8
69.59959	2.2
71.04974	6.4
71.08654	1.9
72.08147	3.6
79.05491	43.3
79.38734	1.7
81.03404	4.9
81.07055	64.1
83.04969	7.7
83.08607	20.8
83.79820	1.7
85.06512	6.7
91.04890	2.2
91.05473	44.2
93.07037	43.4
95.04971	9.5
95.08598	43.9
97.02825	2.2
97.06525	15.4
97.10168	12.2
105.07022	39.3
107.04945	4.9
107.08590	30.2
109.06533	5.1
109.10155	21.4
111.08096	1.9
115.05442	3.3
117.07005	22.4
119.08573	34.8
121.06487	4.2
121.10134	18.6
123.08058	4.6
123.11689	10.1
125.09611	9.0
128.06227	3.7
129.07001	16.8
131.08557	33.6
133.10110	29.6
135.08025	3.8
135.11700	13.3
137.09624	3.3
139.11124	2.1
141.06992	8.7
142.07751	5.6
143.08572	25.1
145.10112	33.1
145.11153	1.3
147.08018	3.6
147.11679	18.6
149.09615	8.3
149.13237	5.5
150.05621	1.9
155.08537	14.4
157.10139	18.8
159.11673	23.1
161.09637	2.8
161.13260	8.1
163.11151	5.1
163.14850	2.6
167.08571	5.5
168.09315	3.7
169.10117	22.9
171.11642	20.3
173.09612	2.2
173.11850	3.6
173.13232	14.7
175.14856	4.0
179.08600	3.7
179.14209	2.4
181.10106	11.8
182.10976	2.0
183.11703	19.5
185.13257	15.2
187.11180	1.8
187.13251	3.2
187.14841	6.2
189.11130	4.5
189.12727	1.8
193.10191	3.7
193.12236	2.8
195.11720	11.7
195.13313	2.9
196.12399	2.4
197.13232	17.6
199.14777	10.7
201.16373	3.5
205.16165	2.0
207.11642	5.5
209.13266	9.5
211.14816	10.5
213.16382	5.8
221.13278	6.4
221.15329	2.2
223.14813	6.3
225.16454	5.4
227.12720	5.3
227.18015	3.6
235.14873	2.6
237.16536	4.1
239.17964	5.4
241.19493	5.7
243.15977	3.6
253.19542	2.1
257.19037	3.3
259.20511	9.0
269.19052	2.2
270.98529	3.5
273.18475	4.1
275.20074	10.2
279.21085	3.2
291.19366	2.5
313.21487	2.3
323.23724	3.6
333.24350	4.7
337.39478	2.0
349.23792	8.4
365.28473	8.7
377.28314	3.3
381.31549	3.0
383.29358	3.1
393.27597	2.3
421.31326	4.2
435.32486	2.1
439.31729	3.2
495.34772	2.3
513.35760	17.6
515.38715	9.4
527.37567	4.0
533.39795	11.4
551.41400	9.3
589.42517	2.7
607.43530	41.6
625.26733	16.6
625.44513	100.0
626.44598	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	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08065	2.3
53.03945	4.7
55.01871	35.2
55.05508	28.8
57.03427	10.7
57.07064	6.1
65.03934	5.3
67.05502	67.7
67.92377	2.5
69.07063	76.9
69.29359	3.1
69.29710	29.1
69.64210	2.5
71.05013	3.9
71.08647	3.6
79.05488	45.0
81.03430	5.8
81.07053	72.3
83.04985	8.0
83.08615	12.9
91.05478	52.6
93.07040	48.4
95.01369	3.4
95.04974	12.3
95.08602	44.2
97.06528	44.2
97.10186	3.7
98.20678	4.9
99.08092	4.8
103.05457	2.9
105.07023	68.7
107.04971	14.6
107.08589	29.0
109.06516	8.6
109.10156	18.3
111.04480	2.9
111.08094	2.7
115.05450	3.9
117.06999	24.0
119.08587	43.1
119.09349	4.2
121.06510	4.5
121.10129	16.5
123.08091	5.6
123.11735	3.2
125.09673	7.7
128.06215	4.4
129.07005	17.9
130.07774	2.4
130.45996	2.2
131.08560	38.9
133.10121	31.5
133.10921	2.5
135.08084	3.4
135.11685	14.0
137.09630	4.4
139.11208	3.0
141.06990	7.4
142.07837	4.8
143.08543	28.8
145.10124	37.2
147.08121	2.8
147.11673	25.1
149.09674	9.5
149.13315	4.8
155.08522	13.7
157.10126	16.4
159.11679	25.2
161.09616	3.4
161.13235	16.7
163.11182	5.6
163.14824	3.3
167.08604	8.2
169.10080	21.6
171.10190	6.8
171.11729	24.8
173.13246	18.3
175.14896	8.9
177.12766	3.7
179.08652	3.4
179.14418	7.5
181.10181	8.2
183.11700	17.9
185.13237	19.0
187.11325	2.7
187.14835	5.8
193.10130	4.7
195.11754	14.0
197.13217	15.1
199.11256	3.9
199.14873	10.6
201.16353	3.5
207.11694	4.4
209.13342	10.8
211.14847	6.8
213.16386	6.4
223.14870	6.0
225.16403	5.2
227.17998	3.2
229.19557	2.9
231.38225	3.3
239.17970	3.3
241.19562	14.3
245.19012	3.5
251.18005	3.6
257.19116	9.7
259.20538	17.0
273.18469	7.0
275.20065	37.8
291.19620	3.5
293.21368	2.5
315.23169	5.8
325.21616	3.0
333.24365	16.7
349.23715	22.5
393.28000	3.0
419.33362	5.6
435.32623	5.6
437.34183	10.7
453.34137	3.1
501.35614	4.0
511.37878	10.4
513.35907	8.9
515.38672	6.5
527.37451	5.9
529.38934	9.5
533.39899	11.6
551.41083	8.7
555.37085	4.7
556.37555	5.7
607.43530	50.8
625.44623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.4
55.01868	29.3
55.05508	37.9
57.03428	12.8
57.07064	6.4
65.03929	4.7
67.05499	74.7
69.03402	2.4
69.07060	71.7
71.04999	7.0
71.05812	2.5
71.06157	5.4
71.08654	2.9
79.05489	64.7
81.03427	8.3
81.07050	85.4
81.07513	5.1
83.04975	10.4
83.08611	17.1
85.06543	3.1
91.05478	68.3
93.07031	57.5
95.01344	3.7
95.04991	13.3
95.08597	52.7
97.06518	36.3
97.10165	9.6
99.08076	3.9
105.07022	65.1
107.04956	11.9
107.08586	36.5
107.48708	2.1
109.06524	7.3
109.10146	24.9
111.08086	4.8
115.05439	5.8
117.07012	31.3
119.08569	50.6
119.67750	1.9
120.08955	2.6
121.06465	5.1
121.10107	24.3
121.10745	1.9
121.34116	2.2
123.08092	6.2
123.11722	7.7
125.09647	8.6
128.06206	3.9
129.05531	3.9
129.07010	22.9
130.07768	4.2
131.08560	48.4
133.06488	4.0
133.10121	42.6
135.08066	6.0
135.11682	16.4
137.09605	4.8
139.11148	3.3
139.78798	2.4
139.98688	2.2
141.06976	10.8
142.07791	6.4
143.08568	34.7
145.06490	3.9
145.10106	45.6
147.08044	4.9
147.11705	23.1
149.09641	8.2
149.13272	10.4
151.11214	4.0
155.08553	17.4
156.09328	2.7
157.10107	29.9
159.08113	4.8
159.11664	32.5
161.09720	3.4
161.13258	16.1
163.11205	5.5
167.08603	5.6
169.10101	16.3
171.10300	3.6
171.11693	26.2
173.09573	3.0
173.13268	15.4
175.11209	3.8
175.14824	10.7
177.12717	2.6
177.16397	2.5
179.08586	3.3
179.14383	3.7
181.10179	8.6
183.11676	20.2
185.09647	3.2
185.13258	16.3
187.11179	3.8
187.14836	9.1
193.10159	3.2
195.11670	11.4
197.13239	13.9
199.11224	2.5
199.14795	12.3
201.16393	5.3
207.11790	5.5
209.13240	6.9
211.14874	10.3
213.12686	2.8
213.16380	5.3
215.18057	2.6
219.11850	3.7
220.25650	2.4
221.13370	3.0
223.14897	5.1
225.16484	5.8
229.19527	4.1
237.16362	4.4
239.17947	3.6
241.19551	13.8
245.19193	3.0
247.20477	3.4
255.17383	2.5
257.19113	9.1
259.20526	18.4
261.22122	2.6
263.20181	4.0
271.20688	3.3
273.18613	9.5
275.20074	35.1
277.21680	5.9
291.19699	4.8
293.21265	4.4
315.23318	3.6
323.23715	3.7
325.21494	2.7
325.25253	3.5
333.24295	12.8
335.26083	4.8
339.23132	3.1
349.23904	18.8
353.24875	2.8
395.29459	3.0
417.31723	3.0
433.32135	2.8
435.32584	8.1
437.34137	13.2
463.32623	3.1
511.37894	12.2
513.35980	12.9
515.38715	6.7
527.37354	9.9
529.39032	7.7
533.39935	14.1
551.41022	10.4
556.37933	3.4
597.45319	3.7
607.43585	61.3
625.44580	100.0
626.44525	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	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01867	11.8
55.05259	2.1
55.05509	33.5
55.16308	1.1
56.97272	1.6
57.03434	7.4
57.07085	6.1
59.05009	2.0
65.03944	4.1
67.05499	56.7
69.03426	2.3
69.07060	24.2
70.09026	4.0
71.04986	4.4
71.08626	2.1
79.05492	37.4
81.03428	3.1
81.07053	55.9
83.04984	6.3
83.08617	17.3
85.06545	4.1
91.05474	31.4
91.52253	1.2
93.07040	36.2
95.04964	7.6
95.08602	36.5
96.66717	1.3
97.06530	9.5
97.10152	16.2
98.21422	1.5
99.08075	3.1
103.05489	1.9
105.07024	35.8
107.04932	3.7
107.08587	26.0
109.06538	7.4
109.07140	1.4
109.10141	18.5
111.08067	4.6
115.05435	2.8
115.90430	1.3
117.07001	15.5
119.08565	26.0
119.09347	2.0
121.06512	1.5
121.10129	13.2
123.08072	3.7
123.11716	9.1
125.09623	8.8
128.06248	3.8
129.06993	18.4
129.12360	1.2
130.07797	2.1
131.08556	25.5
133.06544	2.6
133.10115	22.3
133.11066	1.6
135.08057	3.9
135.11678	10.0
137.09581	2.8
139.11223	2.4
141.06998	9.0
142.07785	4.7
143.08554	22.3
143.09654	1.3
145.06566	2.1
145.10107	26.6
147.08076	3.3
147.11687	11.6
149.09618	6.8
149.13292	3.6
151.11195	3.0
153.06946	1.5
154.07767	2.0
155.08562	13.6
156.09357	2.5
157.10118	23.3
159.11681	16.8
161.09550	2.5
161.13196	7.7
163.11148	2.5
163.14781	1.6
165.07033	2.2
166.07796	1.5
167.08557	8.0
168.09361	2.7
169.10141	19.5
171.11679	17.6
173.13210	12.3
175.14862	4.8
177.12677	1.7
179.08585	2.3
180.09312	1.8
181.10103	10.6
182.10880	2.0
183.11700	17.0
185.09651	2.3
185.13274	15.9
187.11191	2.0
187.13298	4.1
187.14871	6.9
189.11256	6.0
189.12773	1.9
189.16350	2.1
193.10110	4.5
195.11694	10.3
197.13239	15.4
199.14841	9.0
201.12639	1.7
201.16441	3.4
205.15982	1.8
207.11765	4.2
209.13286	9.2
211.14815	9.6
211.89119	1.3
213.16360	6.5
219.11613	2.0
221.13303	3.7
222.13780	1.7
223.14853	5.5
225.16470	5.3
227.12799	5.0
227.17964	4.2
229.19623	1.8
235.14777	2.6
237.16425	4.3
239.14128	1.8
239.17967	4.9
241.19579	4.8
243.15852	3.1
249.16518	1.8
251.17938	2.0
253.19559	2.5
255.17375	1.5
257.19073	3.2
259.20584	4.0
263.17899	2.3
265.19510	2.0
267.21005	1.5
267.86227	1.5
273.18594	3.0
275.20148	9.4
295.20731	2.3
333.24228	4.2
349.23773	4.1
363.26871	2.2
365.28455	9.1
366.54068	1.5
379.30185	1.6
381.31760	3.9
383.29556	3.9
391.29517	1.8
421.31229	4.7
439.31964	3.7
497.37363	1.7
513.35626	20.0
515.38843	7.7
533.39661	12.4
551.40930	6.8
553.38745	1.6
589.42676	2.8
597.45209	1.6
607.43494	45.8
608.44171	2.4
625.44617	100.0
626.45166	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	625.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
53.25471	0.9
55.01867	1.6
55.05508	1.3
57.03406	1.3
59.90636	0.8
61.02910	1.6
67.05490	2.6
69.03442	2.1
69.07043	1.3
70.06580	2.2
71.04982	1.4
71.60914	0.9
71.61281	1.3
71.84347	0.8
74.72847	1.0
79.05474	3.2
81.03401	4.1
81.07034	3.4
84.08121	1.5
84.24456	1.0
85.02886	2.8
86.09679	1.9
91.05472	10.4
92.24069	0.9
93.07032	8.9
94.06557	1.7
95.04939	3.8
95.08600	2.0
97.02870	2.0
97.06525	2.4
103.05453	5.6
105.07024	2.5
107.04939	1.2
107.08591	2.6
108.08089	1.3
109.02831	1.5
109.08389	1.0
109.10149	2.1
115.05453	2.3
117.07034	1.3
118.01800	1.0
119.04948	2.1
119.08582	1.7
120.04463	1.9
120.08109	5.3
121.05637	2.2
121.06499	37.1
121.08423	1.6
122.05983	1.3
123.04391	1.1
123.11673	1.2
127.03974	1.2
129.07037	1.4
131.08586	2.0
132.08081	1.9
135.04356	1.2
135.08043	1.5
136.07576	2.6
137.05971	8.4
138.09163	4.7
138.62277	1.1
143.04903	2.7
145.10135	1.2
146.05978	3.5
147.04366	1.5
147.11676	1.5
148.07581	8.4
149.06013	1.9
149.07907	4.1
149.09630	1.8
151.03870	2.4
151.11272	1.0
152.07031	1.5
162.09113	1.0
163.03899	2.2
164.07071	4.3
165.09091	2.3
173.06003	4.0
175.03926	2.9
175.07501	1.5
176.06076	1.3
177.05602	1.1
177.07002	2.6
186.03085	4.8
193.12167	1.1
194.07196	2.0
197.10664	2.4
198.11208	1.6
200.12582	1.2
201.05443	14.8
205.06483	10.7
213.13890	1.3
219.08243	1.1
221.05962	2.9
222.06754	6.2
225.10231	3.1
226.06255	1.0
226.10637	2.8
227.05255	4.3
227.11703	1.2
233.05965	12.0
234.06752	4.1
237.05447	1.7
237.08987	8.7
238.10907	1.6
239.07057	1.6
239.11813	1.8
240.12067	1.8
241.13367	1.5
247.07593	2.7
248.09213	5.1
249.05597	4.6
249.09660	4.1
250.06256	11.1
250.10637	1.8
251.06966	1.6
251.11790	1.3
252.12077	1.4
253.09793	2.1
254.10008	2.4
256.11887	1.2
261.05518	1.8
262.06418	1.8
263.06949	1.9
264.07880	6.9
265.04959	4.2
265.08582	19.5
266.09476	2.1
267.06488	2.5
267.11395	1.4
268.11533	2.5
269.12735	1.0
275.07153	1.7
276.04141	1.1
277.04791	2.8
278.05750	5.5
279.10495	1.9
280.07321	2.9
280.11703	1.5
281.08151	1.1
281.12683	1.2
282.08810	2.1
291.06473	1.7
292.07269	19.1
293.04413	5.3
293.08041	20.0
293.12979	1.3
294.08649	1.0
295.05984	2.5
295.10309	1.1
297.11359	3.1
302.15930	1.8
307.09622	36.6
308.06824	16.8
308.10220	1.9
310.08282	4.3
310.12100	1.0
313.11765	2.7
314.12378	4.9
314.15399	1.5
319.05920	1.4
321.87848	1.0
323.09167	10.0
325.10693	100.0
327.12814	1.5
328.14056	2.2
329.14844	4.7
330.15500	4.6
336.06201	4.5
336.10239	2.1
339.13297	2.6
340.13907	2.1
341.14990	3.0
342.15417	5.0
342.21933	1.0
351.08627	36.5
368.13504	1.2
373.17902	4.5
374.18625	5.2
377.22977	7.3
420.08115	1.5
421.09012	2.5
422.98309	1.0
462.19141	41.2
487.20459	1.2
495.23059	3.4
498.90533	1.2
503.19958	1.1
536.24133	2.4
537.16113	2.0
537.24194	31.3
539.27838	1.9
563.22144	4.8
581.22668	23.0
582.23779	1.0
607.21008	9.1
625.14996	22.9
625.27618	11.9
626.15466	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	625.254
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
51.02363	0.7
53.03931	1.9
55.01860	1.2
55.05494	0.6
56.96548	0.5
57.03412	0.5
61.02894	0.5
67.05485	1.2
68.32775	0.4
69.03411	0.9
69.07056	0.6
69.45746	4.3
70.06573	1.3
72.08133	0.7
77.03935	0.9
79.05473	1.9
81.03381	1.6
81.07037	1.0
82.10413	0.5
84.08126	1.1
85.02876	1.6
86.09697	0.6
91.05470	10.8
93.06469	1.0
93.07035	17.3
94.06492	0.5
95.04954	6.0
95.08583	1.1
97.02874	1.0
97.06525	1.3
103.05454	11.3
105.04525	1.1
105.07016	1.4
107.08578	0.9
109.06529	0.5
109.10120	1.0
111.04436	0.6
119.04922	1.0
119.08595	0.8
120.08070	1.1
121.06493	100.0
123.04446	0.8
123.11720	0.6
125.05985	0.6
127.03879	0.8
133.10109	0.7
135.08020	0.6
135.11662	0.7
136.07565	1.3
138.05467	1.6
141.03340	2.1
145.06436	0.6
146.05952	1.2
147.04355	0.9
148.07516	1.8
149.07938	0.6
151.03883	0.8
163.03955	0.7
164.07050	6.7
174.29707	0.6
179.03372	4.4
189.07014	0.8
191.06998	6.1
194.07069	0.8
201.05382	83.6
202.05829	0.6
205.06468	3.3
207.08072	0.9
219.08038	2.5
220.05121	2.5
221.05934	1.6
222.06720	3.3
222.52812	0.5
233.05965	3.1
234.06773	3.1
235.05199	0.6
235.07510	12.0
235.09741	0.8
236.08246	0.6
237.09076	13.3
239.07054	1.5
240.12067	0.7
244.06033	1.9
247.07532	2.3
248.04640	3.9
248.08910	0.6
249.05536	2.7
250.06256	4.3
251.07062	1.2
252.08040	0.7
254.09880	0.5
257.12830	0.8
263.07019	17.4
264.07797	1.4
265.05096	3.4
265.08566	29.7
266.09183	1.4
267.06494	2.2
272.11655	0.8
276.04037	0.9
279.10095	0.8
280.07260	5.4
282.08844	40.7
283.09290	0.9
285.12292	2.1
291.06503	20.3
292.32883	0.6
297.11224	18.4
298.11386	0.7
303.13327	1.9
308.06760	2.1
313.10681	2.6
315.05161	0.7
323.09109	56.9
324.09637	0.6
328.14517	0.5
329.14755	1.1
330.15219	1.4
339.13065	0.6
341.14816	0.9
342.15363	0.8
359.21713	0.8
364.11746	19.9
369.09061	0.8
377.22552	0.7
429.16528	0.6
447.17554	0.7
460.17538	69.5
461.17932	1.2
488.17010	92.3
489.17346	1.8
537.24231	6.4
563.22229	0.8
581.22705	5.3
607.21021	2.1
625.19568	2.1
625.28632	3.1
645.31561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01571	0.5
51.02350	0.7
53.03923	1.4
54.51604	0.3
55.01849	1.0
55.05490	0.7
59.04984	0.4
61.02894	0.4
61.94743	0.4
67.05481	1.8
69.03391	1.0
69.07036	0.6
70.06573	0.7
71.04955	1.3
77.03891	0.4
79.05453	1.4
81.03392	2.3
81.07048	1.9
83.04970	0.6
83.08578	0.5
85.02871	1.0
89.03858	0.4
91.05468	7.2
93.07031	6.7
95.04953	2.8
95.08578	1.1
97.02862	1.2
97.06528	0.9
103.05457	5.2
103.24928	0.4
105.04513	0.5
105.06976	1.2
107.04920	0.9
107.08553	0.9
109.02854	0.5
109.06487	0.9
109.10117	1.1
115.05424	1.9
117.07015	0.5
119.04913	2.5
119.08557	0.7
121.06492	37.1
122.03671	0.5
123.04426	0.9
127.03876	0.8
130.04074	0.5
133.06451	0.8
133.10106	0.9
134.03603	0.7
135.04395	1.0
136.07498	0.5
137.02394	0.4
137.04990	0.7
137.05963	8.7
138.09140	5.4
143.04887	2.8
145.06471	1.2
146.05959	0.8
147.04379	1.7
147.11636	0.4
149.05975	2.6
150.06741	1.1
151.03851	0.9
152.07021	0.8
154.26566	0.4
158.03647	1.8
160.05238	0.8
161.05870	0.8
163.11206	0.4
164.07047	3.7
165.06966	0.8
166.07684	0.5
173.05943	3.2
174.06686	0.5
175.03818	2.7
175.07523	1.8
176.06146	0.7
177.05540	0.7
177.06992	3.0
179.08472	0.5
186.03088	7.8
189.05309	0.4
189.06952	0.5
191.08540	0.5
193.12213	0.6
194.07214	2.6
195.07968	0.6
201.05441	15.1
203.07040	1.7
204.05722	1.2
205.04559	0.7
205.06476	11.9
206.07198	0.9
207.06404	0.5
207.08142	0.7
208.05309	0.5
209.05995	0.5
211.07520	0.4
217.06502	0.9
218.07222	0.8
219.04427	0.5
219.08060	2.1
220.05211	0.9
221.05978	3.7
221.09586	0.7
222.06731	7.8
223.07524	0.8
226.06290	0.7
227.05244	0.9
227.07069	1.4
227.12811	0.6
233.05946	15.2
234.06717	3.7
235.07617	1.9
236.04684	0.4
236.08266	1.5
237.05403	1.4
237.09079	8.6
239.07043	1.8
247.07530	3.0
248.04500	0.6
248.08363	0.6
249.05457	4.2
250.06224	10.7
251.06911	2.7
252.07802	0.8
253.08647	0.5
254.05678	0.9
255.06769	0.5
261.05536	2.0
262.06235	1.3
263.07016	3.0
264.07788	5.3
265.05005	3.7
265.08582	20.1
266.09131	1.9
267.06503	2.9
267.09302	0.4
267.10455	0.4
268.06964	0.5
269.11856	0.6
272.12799	1.2
275.06927	1.1
276.04242	0.5
276.07971	0.5
277.04947	2.8
277.07965	0.6
278.05707	6.7
279.06476	1.5
279.10135	3.0
280.07205	2.7
281.08011	1.1
281.11642	0.5
282.08795	2.0
291.06531	2.0
292.03854	0.6
292.07269	18.2
293.04471	4.7
293.08057	21.5
294.08710	1.5
295.05957	1.9
295.09430	1.0
297.11182	3.4
299.12766	1.8
304.03680	1.1
307.09613	37.5
308.06772	17.2
308.09933	1.1
309.07257	0.8
310.08347	3.9
319.06122	2.1
323.09122	12.1
325.10675	100.0
326.10968	2.7
336.06207	4.3
351.08600	57.0
352.08875	1.1
420.08145	0.6
421.09058	0.6
462.19064	35.4
463.19220	0.9
488.17105	2.8
625.15155	10.0
625.25848	3.1
626.15173	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	625.1762
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
53.03942	0.3
55.01856	0.3
55.05492	0.6
56.91254	0.2
57.03443	2.0
57.68252	0.2
60.04505	0.4
61.02926	2.0
65.03927	0.2
67.05486	0.5
69.03424	0.5
69.87012	0.6
69.87414	0.6
70.06590	1.3
70.31506	0.2
71.04991	11.8
72.08150	0.3
73.02892	0.8
75.04453	0.4
79.05504	0.5
79.45422	0.2
79.94848	0.2
81.03399	0.5
81.07047	0.5
83.04974	0.8
83.08598	0.2
84.04491	0.3
84.08127	0.4
85.02901	16.2
86.06110	0.2
86.09690	0.5
91.03937	0.9
91.05466	0.5
92.02595	0.7
93.03378	0.8
93.07058	0.4
95.04980	0.3
95.08591	0.5
97.02882	1.4
97.06512	0.5
99.04423	0.3
100.11230	0.6
107.04994	0.2
109.02885	0.4
109.10139	0.3
111.04407	0.7
117.41306	0.2
121.02859	0.9
126.03134	0.3
127.03888	0.8
128.07103	0.4
129.05472	4.3
129.10188	0.3
135.04442	0.3
137.05994	0.3
139.03912	0.8
140.10733	0.3
141.09079	0.2
145.04991	0.3
147.06534	1.3
151.03886	0.9
151.07576	0.3
153.01823	5.7
155.54471	0.2
163.03937	0.5
165.01833	0.4
170.22916	0.2
177.05449	0.4
182.15401	0.8
183.03032	0.3
190.06400	0.3
201.05475	0.8
203.03397	0.5
210.14877	0.8
217.04993	0.5
218.05722	0.3
219.02841	0.3
219.15720	0.2
228.04051	1.2
229.04988	2.4
245.04532	1.4
246.05249	1.8
249.09657	0.2
256.03668	0.4
257.04434	2.1
273.03973	1.6
273.06519	0.3
274.04712	3.7
284.03195	0.3
285.03964	3.4
301.07278	0.3
302.04193	10.7
303.04648	0.4
317.06543	100.0
318.06903	2.6
354.23743	0.2
359.07449	0.4
383.07571	0.3
479.11795	0.5
570.35986	0.3
589.38214	0.3
625.42719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1757
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03921	0.4
54.39829	0.4
55.01847	0.4
55.05488	0.5
57.03432	2.6
60.04506	0.6
60.58037	0.4
61.02907	1.6
69.03403	1.3
69.07040	0.7
70.06313	0.4
70.06593	4.0
71.04990	12.4
71.41324	0.9
72.08134	1.0
73.02884	0.8
75.04458	0.8
79.05488	0.7
81.03413	0.8
81.07033	0.7
81.41822	0.4
83.04964	0.9
84.04440	0.5
84.08155	2.2
85.02898	17.0
86.09682	1.7
87.04453	0.6
91.03952	0.9
91.05465	0.5
92.02614	0.4
93.03397	0.6
95.04967	0.5
97.02863	1.0
107.08589	0.6
109.02858	0.5
110.07128	0.8
111.04392	0.5
111.08022	0.4
116.83738	0.4
121.02843	1.0
126.03130	0.4
127.03923	1.1
129.05476	3.6
131.04837	0.4
136.07532	0.4
139.03860	0.8
145.04756	0.4
145.07597	3.5
147.06525	1.2
151.03914	1.0
153.01811	6.4
163.08652	0.7
165.01723	0.6
182.90912	0.4
195.23975	0.4
217.04965	0.7
218.05647	0.6
228.04080	1.0
229.04977	3.4
245.04514	0.7
246.05219	1.4
251.13069	0.4
257.04346	2.4
273.03885	1.4
274.04657	3.8
285.03888	4.1
302.04187	11.1
309.93945	0.5
317.06534	100.0
318.06714	2.1
329.06613	0.9
336.36661	0.4
359.07538	0.8
383.07700	0.9
461.10187	0.6
479.11832	1.4
625.29572	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	625.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01878	0.6
55.05502	1.3
56.96532	0.5
57.03434	0.5
60.04516	1.8
61.02919	0.7
62.84006	0.4
67.05506	2.9
69.03422	2.1
69.07059	1.7
70.06596	3.5
70.16228	1.6
71.04979	1.2
72.08150	1.0
73.02921	0.6
77.02394	0.4
79.05481	2.2
81.03409	2.5
81.07058	4.6
82.06573	0.7
83.04979	1.1
83.08616	1.0
84.04503	0.5
84.08128	1.5
85.02911	2.6
85.06548	0.7
86.09705	1.4
89.03925	0.7
91.05463	3.1
93.07047	4.1
95.04967	1.8
95.08611	3.0
97.02878	1.3
97.06528	2.8
97.10121	0.6
98.97542	0.4
99.04453	0.9
99.08042	0.5
103.05470	0.5
105.07039	2.2
107.08574	1.9
108.08112	0.5
109.02870	1.2
109.06525	0.7
109.10136	2.0
110.09693	0.5
111.04461	1.0
111.08130	0.4
117.03355	1.8
117.06986	0.9
119.04935	1.4
119.08588	1.7
120.08123	1.6
121.06532	2.6
121.10168	2.5
123.08068	0.9
123.11739	0.6
125.09610	0.8
126.09167	0.7
127.03935	1.3
128.10709	0.5
129.10205	0.6
131.08566	1.2
133.10150	1.3
135.08125	0.7
135.11697	0.4
136.07555	1.1
136.82346	0.4
137.05997	1.5
137.09634	0.7
140.10703	1.3
144.04445	0.5
145.02820	3.7
145.04967	0.6
145.10104	0.6
147.04391	6.0
147.11673	0.6
148.07567	2.0
149.05963	0.8
149.09554	0.6
149.13280	0.6
151.03911	0.6
151.07603	0.5
153.01814	1.1
159.11766	0.5
161.06119	0.5
163.03909	0.7
163.11229	0.4
164.07162	0.8
165.09081	0.8
171.08044	0.4
172.04007	1.2
177.05458	9.0
201.05493	1.0
204.06535	1.9
205.06917	0.7
222.06813	0.5
227.05292	4.6
227.17877	0.4
233.05997	0.5
237.18765	0.4
239.11806	0.5
255.11272	0.6
259.09723	0.7
268.11685	0.4
285.12418	1.0
287.05484	5.4
293.08420	0.6
307.09760	0.8
314.08435	0.4
314.12317	0.5
317.06744	1.6
323.25946	1.0
324.02249	2.4
325.10913	1.4
340.13882	1.3
341.15509	0.5
359.16708	1.2
359.21857	1.0
361.23520	1.1
377.17737	1.6
377.22617	0.8
405.13937	0.4
421.08936	25.8
439.08917	0.7
460.17883	0.6
462.19495	0.8
488.17282	0.8
489.18457	0.8
510.27045	0.4
537.24323	2.1
552.38690	0.7
581.21637	2.1
581.30646	0.7
593.19971	1.2
607.20184	0.8
625.15234	100.0
625.27008	6.2
626.15594	1.2
635.79260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71288	0.4
55.05516	0.9
56.05009	0.5
56.96559	0.6
57.03418	0.6
60.04502	1.1
61.02920	0.4
65.08475	0.4
66.59668	0.4
67.05514	2.5
69.03417	1.6
69.07066	2.2
70.06588	3.2
71.04997	0.7
71.34155	0.9
72.08150	0.9
72.93790	0.3
73.02892	0.4
77.03125	0.4
79.05485	2.3
81.03424	2.4
81.07052	4.1
83.04972	1.0
83.08620	0.5
84.08135	1.4
85.02895	2.2
85.06551	0.6
86.09715	1.8
91.03947	0.5
91.05453	1.7
93.07050	3.3
95.04975	1.5
95.08594	2.4
97.02876	1.8
97.06537	1.3
105.07031	2.3
105.55843	0.4
107.04955	0.4
107.08582	2.2
108.08113	0.4
109.02872	0.5
109.06518	0.9
109.10152	2.2
111.08076	0.7
111.11735	0.4
119.04932	0.9
119.08556	2.1
120.08093	1.7
121.02834	0.3
121.06497	1.8
121.10132	2.2
123.08103	0.5
123.11716	1.1
125.09575	0.5
126.09155	1.0
127.03902	0.8
127.07491	0.5
129.10255	0.5
131.08609	1.0
133.10135	1.2
134.05971	0.3
135.08031	1.1
135.11681	0.4
136.07578	0.6
137.05965	1.5
137.09593	0.6
139.11154	0.4
141.07025	0.4
145.04953	0.4
145.10138	0.7
145.72658	0.3
147.04405	3.2
147.11679	1.1
148.07614	0.7
149.05930	0.5
149.09625	0.8
149.13214	0.7
150.05533	0.7
151.07515	0.6
151.11166	0.7
152.07057	0.9
153.01843	1.1
159.11807	0.6
163.03975	1.1
165.09151	0.5
166.08620	0.6
167.10663	0.4
173.13266	0.5
175.11113	0.4
175.14772	0.4
177.05460	2.0
193.08524	0.4
194.08127	0.9
223.48727	0.4
227.05238	4.2
229.15564	0.4
271.14536	0.6
287.05594	1.4
287.23901	0.6
293.08783	0.5
305.24860	0.8
317.06519	1.1
323.25848	0.9
324.02148	1.9
325.10635	0.7
359.16718	1.7
359.21967	2.8
375.16479	0.5
377.18210	0.8
377.23019	1.7
399.10834	0.6
405.13388	0.5
419.19080	0.5
421.08936	30.0
422.09433	0.7
444.17795	0.7
457.09830	0.9
462.19196	0.7
552.38654	0.8
570.40155	0.9
581.29028	1.6
607.27277	1.6
608.88641	0.4
625.15253	100.0
625.26855	6.1
626.15796	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	624.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94604	1.1
53.03941	2.7
55.01878	2.3
55.05511	4.9
56.05024	4.0
56.96552	1.2
57.03437	2.3
57.07051	1.1
60.04526	6.8
61.02909	1.2
65.03941	1.5
67.05501	21.0
69.03435	7.0
69.07060	5.3
69.58986	6.4
70.06584	8.8
71.04984	4.8
71.40427	0.9
72.08144	3.0
79.05490	20.2
80.05008	3.2
81.03419	5.8
81.05791	1.9
81.07049	19.5
82.06573	4.3
83.04969	2.1
83.08607	4.3
84.04462	1.2
84.08124	3.3
85.02878	5.1
85.06520	4.7
85.81825	0.9
86.09711	4.2
87.04463	4.1
91.05474	9.0
93.07036	28.2
94.06561	17.4
95.04972	4.8
95.08603	32.8
96.08116	3.8
97.02898	3.2
97.06524	14.4
99.04469	0.9
103.05459	2.7
105.07029	15.9
107.04949	1.3
107.07329	3.3
107.08589	7.1
108.08073	1.1
109.02873	1.6
109.06539	1.5
109.10136	6.8
110.07196	1.7
110.09687	12.6
111.08077	13.4
113.09659	0.9
116.98612	0.9
117.00307	0.8
117.07038	1.0
119.04923	1.1
119.08584	2.3
120.08097	3.0
121.02831	1.5
121.06473	2.5
121.10167	6.1
122.09662	37.6
123.08054	34.0
123.11707	2.9
125.09586	1.1
126.10857	0.9
127.03926	3.1
128.10707	30.7
129.10237	1.4
130.81235	1.3
131.08563	2.5
133.10135	2.6
135.08047	1.1
135.11682	3.3
136.07578	1.6
137.05994	3.2
137.09619	1.5
139.14876	0.9
140.10690	100.0
141.09093	15.7
142.12210	1.3
145.04886	1.3
145.10121	1.7
147.11734	1.9
148.07542	2.4
151.07544	1.3
157.09979	1.0
158.11775	8.6
160.44467	0.8
161.13292	1.5
162.05490	1.1
163.03931	2.0
172.09564	1.0
175.07542	1.2
177.05548	1.5
192.11795	1.2
193.05046	1.1
198.11292	1.0
205.19537	2.7
210.11276	1.1
223.20566	1.7
227.05157	1.4
237.02660	1.2
250.21594	1.4
252.08464	1.0
259.09595	1.3
268.22635	4.5
286.23770	5.1
294.24225	1.2
312.25381	1.6
372.29111	1.3
378.29849	5.2
390.30026	9.5
396.30927	1.6
408.31061	72.9
409.31293	1.8
421.08905	1.2
426.32123	60.0
444.33167	6.6
448.68405	1.0
534.38013	1.1
552.38416	2.9
570.38770	1.7
624.27057	5.6
625.15082	13.1
625.25800	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	624.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73948	0.6
51.84192	0.6
53.03938	0.8
55.05501	1.1
57.03430	0.8
60.04514	0.7
61.02890	0.9
64.26540	0.7
65.03925	0.8
67.05494	2.2
69.03425	0.9
69.07035	1.7
69.43440	3.3
69.43881	3.3
70.06577	2.8
71.04957	0.7
71.45173	0.6
79.05477	4.0
80.04987	1.4
81.03395	2.1
81.07042	3.0
82.06521	0.6
83.04979	1.0
84.08138	1.0
85.02892	2.9
86.09700	1.3
91.05476	2.9
92.04982	0.7
93.07042	5.5
94.06548	7.1
95.04959	2.7
95.08608	2.3
96.08099	1.0
97.02886	1.5
97.06514	1.2
98.21442	1.6
103.05471	2.8
104.04967	1.0
105.05769	0.8
105.06998	1.4
106.06546	1.4
107.07324	1.2
107.08575	1.4
108.04394	1.0
108.08125	5.5
109.02873	0.8
109.10128	1.0
110.09657	1.1
115.85445	0.7
117.05834	0.7
118.06538	4.4
119.07325	1.7
119.08546	1.3
120.04465	6.5
120.08095	17.2
121.06505	0.9
121.10143	1.3
122.06017	4.8
122.09655	1.7
124.07567	1.5
127.03905	1.3
131.07333	0.8
131.08499	0.7
132.08061	5.0
133.10126	1.1
134.09662	1.7
136.07555	6.6
138.05463	1.6
138.09129	1.6
146.06001	13.6
147.11708	0.9
148.07561	32.9
150.05446	0.8
150.09134	2.9
152.07033	7.1
156.48416	0.7
157.08939	0.8
159.06793	1.4
160.07552	5.0
162.09106	3.4
164.07063	5.4
164.10667	1.9
166.08627	5.2
168.70567	0.7
174.05505	1.7
174.09100	1.1
175.11621	0.7
176.07042	1.1
177.07811	2.3
178.08626	2.3
180.10173	4.9
182.09753	1.4
183.09204	2.7
184.10040	3.3
185.10739	3.3
186.09109	0.7
187.06285	2.4
188.07109	3.3
189.07762	0.7
192.06578	2.1
192.10187	3.0
194.08121	6.1
194.09518	0.7
195.09085	1.0
196.09886	2.4
197.10698	8.3
198.11520	4.4
199.08705	1.0
199.12326	2.8
204.06613	1.0
204.10242	1.1
206.08078	4.3
207.08951	0.8
208.09657	1.5
209.10735	3.0
210.09477	0.7
210.11481	2.6
211.08650	1.0
211.12271	5.1
212.09396	3.4
212.13060	1.3
213.10187	3.1
213.13832	3.4
216.06589	0.9
218.08041	1.2
220.09827	2.1
221.10767	1.3
222.11165	6.5
223.08566	1.1
223.12234	3.6
224.09402	2.0
224.12923	2.3
225.10191	15.4
225.13913	1.8
226.10991	5.5
227.11723	6.9
232.09763	1.3
233.06841	1.8
234.07487	0.9
235.08662	1.5
235.12375	1.9
236.09288	3.1
237.10185	7.4
237.13797	0.7
238.10973	4.0
239.08148	1.2
239.11746	13.5
240.12489	2.1
241.09709	1.2
241.13354	4.1
243.11357	0.8
248.09163	28.3
249.10263	4.7
250.10928	2.7
251.08148	1.7
251.11734	6.5
252.08859	1.1
252.12534	3.0
253.09669	9.1
253.13397	5.4
254.10625	0.8
255.11234	5.3
256.11926	1.1
257.12848	1.6
261.10257	1.7
262.10962	1.3
263.11789	4.3
265.09769	5.9
265.13376	2.0
266.10519	2.1
267.11240	11.5
268.12094	1.3
269.09842	0.7
269.12726	4.6
271.10733	1.2
271.14505	1.5
273.12558	1.0
273.16101	0.8
278.10495	2.4
279.08087	0.9
279.11139	7.8
280.12076	2.8
281.09610	1.5
281.12775	9.7
283.10751	3.6
283.14252	1.4
285.12286	7.8
286.13205	2.8
287.13834	6.3
289.09674	4.8
291.11172	3.9
293.09424	1.2
293.12842	2.3
294.10074	1.9
295.10757	4.7
295.14404	2.0
296.11612	1.3
297.12347	2.4
298.13031	1.1
299.13919	3.2
300.14914	1.1
301.15466	3.6
302.12656	0.8
307.10715	2.4
309.12250	5.3
310.13065	1.0
311.10199	3.6
311.13898	4.6
312.11002	1.9
313.11807	19.0
313.15421	4.9
314.12582	1.7
315.13690	1.1
316.14441	1.3
317.09207	0.9
323.13910	1.9
324.11060	1.1
325.11984	1.3
325.15350	1.3
326.12671	6.7
327.09735	1.3
327.13110	3.5
328.14194	10.2
329.14911	21.5
335.10165	3.1
339.13373	16.6
339.17429	1.2
340.10593	1.4
341.14905	21.0
342.15863	1.3
351.13483	0.9
354.11920	2.0
355.12836	4.9
355.16644	2.2
356.17630	1.1
367.12833	12.6
374.18771	1.7
376.16452	1.5
384.16977	0.9
402.18167	1.7
414.18338	0.9
416.19803	1.1
444.19174	3.4
460.22702	1.2
462.20248	1.0
466.23395	1.4
470.17255	1.3
476.21774	5.4
486.20062	2.7
488.18185	1.3
494.22772	9.8
502.19635	0.9
504.21088	3.6
508.24142	2.5
520.20886	2.2
530.19135	3.5
534.22314	1.4
536.23859	100.0
537.24243	1.5
548.20331	1.4
562.21844	11.1
574.18195	3.7
580.22815	75.1
581.23425	1.0
606.20740	22.6
624.97363	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	624.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01863	1.0
55.05492	2.1
56.05040	0.6
56.96550	0.7
57.03410	0.8
60.04512	1.4
61.02906	0.7
65.03939	1.6
67.05495	3.2
69.03419	2.0
69.07050	2.1
70.06586	3.9
71.04975	0.9
72.08146	1.0
74.06054	0.6
76.82661	0.7
79.05494	7.3
80.05009	1.7
81.03405	3.0
81.07047	3.9
83.04990	1.3
83.08602	0.9
84.04472	0.6
84.08130	1.1
85.02892	2.9
85.06551	0.6
86.09682	1.8
89.03918	1.1
91.05471	5.2
92.04996	0.8
93.05785	1.2
93.07030	8.7
94.05988	1.1
94.06560	9.5
95.04967	2.1
95.08595	2.7
96.08104	1.1
97.02884	2.0
97.06521	2.5
103.05463	6.3
105.05781	1.8
105.07030	1.2
106.06556	1.1
107.07299	1.4
107.08571	1.5
108.04465	1.1
108.08106	15.0
109.06499	1.1
109.10150	1.8
110.09676	1.5
116.04987	4.6
118.06557	4.3
119.07319	1.3
119.08557	1.8
120.04461	6.7
120.08095	39.5
121.10143	1.8
122.06022	13.2
122.09650	1.8
124.07585	1.9
125.09613	0.9
126.09122	1.0
129.06857	0.6
129.10246	0.8
132.08093	1.3
133.10161	1.0
134.06009	2.1
136.07567	26.7
137.06006	0.7
138.05493	8.4
138.09108	3.4
140.10693	0.9
144.04437	7.7
146.06012	10.2
147.04335	0.9
147.11636	0.8
148.07559	100.0
149.07880	0.8
150.05461	3.2
150.09105	2.7
152.07071	1.9
158.05956	0.9
160.03920	1.8
160.07585	0.7
162.05505	4.8
163.11261	0.7
164.07059	3.5
166.04987	6.2
166.08615	8.5
172.03925	39.5
173.04318	0.7
174.05453	3.0
176.86838	0.6
178.04973	0.7
180.06596	0.8
182.09665	0.7
183.09200	1.1
184.07397	0.9
184.09943	1.4
186.05424	1.3
188.07033	2.4
190.04980	19.7
192.06598	1.9
196.09814	1.2
197.10732	2.7
198.11475	1.4
199.12415	1.1
204.06554	23.7
207.09245	1.0
208.09645	4.0
209.10709	3.0
210.11469	0.9
211.08665	1.5
211.12416	1.4
212.09425	4.9
213.10187	2.2
214.04971	0.9
215.07144	0.7
215.10417	0.6
216.06537	2.7
218.04472	1.1
220.09863	0.7
221.10747	1.0
222.07896	1.4
222.11493	1.5
223.08655	1.9
223.12317	2.5
224.09300	6.3
225.10240	7.9
226.10951	2.5
227.05313	1.6
227.11795	6.6
229.13373	1.3
234.07568	2.2
235.08702	2.6
236.09277	4.6
237.10201	20.7
238.10944	3.0
239.08249	3.3
239.11819	6.2
240.08873	0.8
241.09743	5.0
241.13412	0.8
248.09628	0.9
249.10220	3.1
250.07320	2.3
250.11078	1.4
251.08255	2.5
251.11803	10.9
252.08673	36.9
252.12756	1.4
253.09709	9.4
253.13377	2.6
255.11247	10.6
257.12836	1.1
260.05612	0.9
263.08246	1.1
263.11758	1.5
264.08908	2.5
265.09708	25.2
266.10428	3.8
267.11270	5.5
268.08459	1.1
268.11807	0.8
269.09677	0.6
269.12778	2.0
271.10730	4.2
273.12286	1.6
278.06616	13.5
278.09988	1.1
279.07840	1.6
279.11224	18.4
280.08395	2.3
280.11829	1.1
281.09213	2.8
281.12842	5.2
283.10760	9.2
284.11597	0.7
285.12341	3.4
289.09592	1.3
291.11295	1.6
292.08072	3.8
293.09186	24.1
294.09918	4.1
295.10718	2.1
296.11487	2.2
297.12299	9.1
298.09528	1.0
299.10233	2.6
299.13736	1.2
300.10870	0.9
301.11761	1.5
302.12814	1.1
305.24783	0.8
307.10760	10.5
309.12320	5.7
311.10205	5.3
312.10959	6.1
313.11768	6.2
315.13651	1.7
316.14355	1.3
323.10294	1.5
323.13757	0.8
324.11023	0.8
325.07996	0.7
325.11813	13.9
327.09995	1.3
327.13376	3.3
330.12445	0.9
333.14420	2.1
335.10248	10.4
339.13403	6.5
340.10464	3.2
341.11288	15.6
343.13080	0.7
344.13904	1.6
353.11252	17.8
358.15817	0.6
359.12341	3.0
360.16998	0.8
367.12912	1.7
372.17142	0.8
373.13977	3.7
385.13974	5.2
388.16226	1.1
390.18088	1.3
400.16513	1.6
411.11777	11.0
416.19632	1.8
418.12076	0.8
418.17422	2.0
421.09018	1.2
429.13266	2.8
432.19009	2.8
442.17624	2.7
443.14307	3.5
444.19080	2.0
460.18668	15.0
462.19669	0.8
470.16907	1.9
476.14792	1.2
478.19626	1.2
488.18152	53.2
489.18292	1.0
492.21680	0.9
502.19699	1.1
506.19110	9.1
507.19916	2.4
520.20685	2.7
524.20367	1.4
530.19263	1.4
546.18298	0.9
548.20294	4.2
550.18231	0.9
551.18939	10.9
564.19891	6.6
570.40051	1.5
574.18085	5.6
580.22748	2.6
592.19208	51.3
606.20526	1.1
624.20667	4.0
625.15009	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	624.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.05499	2.5
56.05005	1.3
56.87203	1.2
56.96563	1.7
57.03427	1.2
60.04519	2.5
61.02919	1.9
65.03934	2.9
67.05497	7.2
68.13233	1.1
69.03422	3.7
69.07059	4.3
69.69006	5.1
69.69431	3.4
70.06591	11.1
72.08148	3.2
79.05481	10.5
80.05027	2.1
81.03396	5.0
81.07062	7.3
82.06565	1.3
83.04983	2.7
84.04483	1.4
84.08128	5.3
85.02898	4.6
85.06532	1.8
86.09695	5.1
87.53558	1.1
91.03943	1.6
91.05459	6.5
93.07050	13.8
94.06564	8.3
95.04958	5.1
95.08603	5.1
96.08117	1.6
97.02875	5.6
97.06516	4.5
98.21525	1.3
103.05440	5.6
103.06055	1.1
105.05788	2.3
105.07010	5.6
107.08601	2.4
108.08112	15.5
109.10145	4.3
110.07124	1.3
110.09663	2.5
116.04978	4.3
118.06557	5.9
119.08570	2.3
120.04475	9.0
120.08108	42.0
121.06534	2.0
121.10136	2.4
122.06022	14.1
122.09670	2.8
123.08090	2.7
123.11695	2.4
124.07584	2.7
127.03849	1.3
129.10245	3.2
131.08597	1.9
132.08110	1.6
133.10085	3.0
134.06004	3.9
134.99564	1.3
136.07576	25.8
136.08545	2.3
137.05975	2.8
138.05486	8.5
138.09138	5.1
140.10670	1.9
144.04459	9.0
145.02838	2.2
145.10103	2.7
146.05995	13.2
147.03157	1.2
147.04388	3.5
147.11679	2.1
147.66078	1.2
148.07570	100.0
150.05476	3.1
150.09148	2.3
152.07097	3.9
160.03935	2.0
160.07581	2.3
162.05536	4.2
162.09097	1.5
164.07068	3.6
165.09152	1.8
166.04951	4.3
166.08640	8.7
172.03931	40.3
172.07697	1.4
174.05511	1.6
177.05502	1.8
177.07793	1.4
178.04884	1.4
182.09665	1.9
184.07506	1.6
184.10011	1.3
186.05475	1.7
188.07062	1.9
190.04987	20.4
192.10191	1.1
194.08246	3.9
196.09795	1.9
197.10814	2.1
198.11571	2.4
204.06552	28.0
206.08122	3.4
207.09077	1.3
208.09790	2.6
209.10759	3.9
210.11542	4.1
211.08632	2.1
211.12263	3.4
212.09300	7.0
213.10161	3.3
213.13870	2.7
215.56213	1.1
216.06448	1.6
221.10733	1.9
222.07713	2.3
222.11284	2.4
223.08641	2.9
223.12263	4.7
224.09424	4.8
225.10214	11.6
226.10945	2.2
227.11746	6.5
232.05954	1.5
234.07593	2.8
235.08708	2.5
236.09378	5.0
237.10201	20.6
237.13826	1.5
238.10941	5.7
239.08118	2.7
239.11737	8.5
241.09688	5.4
241.13347	2.4
248.09213	8.3
249.10152	4.0
250.07236	1.6
250.10905	1.8
251.08183	2.9
251.11794	11.1
252.08676	30.5
252.12581	2.0
253.09718	11.6
253.13339	4.5
255.11337	13.7
261.10416	1.6
263.11746	3.0
264.08847	2.3
265.09732	24.3
266.10370	3.7
267.11221	8.0
268.11945	2.0
269.13098	1.6
271.10760	4.8
273.12366	2.2
277.09561	1.5
278.06567	11.2
278.10251	3.4
279.08066	1.9
279.11224	19.7
280.08411	2.2
280.11877	3.0
281.09497	2.1
281.12808	8.7
281.17490	2.2
282.17798	1.8
283.10818	8.2
284.11423	2.0
285.12238	5.1
286.12961	2.0
287.13901	3.3
289.09647	2.2
291.11176	1.4
292.08121	2.5
293.09216	23.1
294.09866	4.7
295.10706	5.0
296.11481	2.0
297.09183	1.5
297.12289	8.0
299.10266	3.2
299.13715	2.8
307.10913	10.4
309.12268	7.0
311.10272	6.7
311.13812	2.4
312.11197	6.1
313.11801	11.0
315.13425	2.0
316.14423	3.8
323.10394	1.6
325.11810	11.9
326.12567	2.5
327.13443	4.5
328.14227	3.0
329.15021	5.6
335.10312	10.6
339.13361	13.0
340.10422	3.5
341.11285	11.5
341.14996	6.4
353.11273	19.3
355.16733	1.4
359.12277	3.2
360.16867	2.5
367.12866	5.3
373.13867	3.8
376.16394	1.5
385.13910	5.6
400.16666	2.1
411.11951	11.0
416.19608	2.3
418.17554	2.9
421.08768	2.4
429.12811	3.2
432.19440	1.8
442.17316	1.8
443.14508	4.5
444.18796	3.4
460.18582	15.8
462.19632	1.9
476.21518	2.0
488.18204	44.1
494.22775	2.8
504.21222	2.0
506.19467	6.1
507.19858	2.2
520.20679	4.9
530.19470	2.5
536.23932	34.5
548.20038	4.4
551.18842	9.1
562.21539	4.3
564.19574	5.8
574.18195	8.6
580.22742	28.8
581.23688	1.5
592.19238	47.8
606.20618	11.7
624.22821	5.0
625.06146	1.8
625.15204	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	624.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
54.94418	0.8
55.55862	0.8
56.96561	1.1
60.25336	1.0
61.02914	0.9
67.05484	3.2
69.03420	2.0
69.07048	1.9
69.57840	7.0
70.06567	2.4
79.05496	4.4
80.05005	1.3
81.03387	3.1
81.07046	3.4
82.06596	0.7
82.83349	0.9
83.05004	0.9
83.08614	2.0
83.25368	0.8
84.11993	0.8
85.02895	1.8
89.01405	0.9
91.05465	3.9
93.07047	5.6
94.06559	6.0
94.95676	0.8
95.04959	2.7
95.08589	1.7
97.02859	1.2
98.21453	1.9
100.74580	0.7
103.05447	3.2
105.07023	1.9
106.06510	1.8
106.51535	0.8
107.04932	1.0
107.08572	1.2
108.04440	1.2
108.08109	6.2
108.08752	0.8
109.10158	1.7
117.07009	1.0
118.06504	3.8
118.07283	1.0
120.04458	6.9
120.08103	16.7
121.06513	1.6
121.17995	0.8
122.06012	3.9
122.09674	2.4
124.07600	1.5
125.61649	0.8
127.03916	1.4
129.06915	1.0
130.06613	0.9
131.07278	0.9
132.08066	2.8
134.09659	1.6
136.07549	8.1
138.05504	1.1
138.09137	1.3
146.05988	14.4
147.06749	1.0
148.07558	35.4
150.09140	3.1
152.07021	6.9
157.08690	0.9
157.10063	0.8
160.07564	4.8
162.05525	1.0
162.09120	3.9
164.07082	4.8
164.10693	2.5
166.08658	5.2
174.05486	1.3
176.07059	1.2
177.07828	1.7
178.07166	1.0
178.08607	2.6
180.10228	4.2
182.09634	1.2
183.09131	1.4
184.09911	2.2
185.10785	2.1
186.09081	1.0
187.06279	2.2
188.07045	2.5
192.06512	1.9
192.10152	3.4
194.08116	6.2
196.09842	1.8
197.10716	6.9
198.11444	3.8
199.12263	2.9
204.10234	2.0
206.08046	4.1
208.09612	1.5
209.10704	3.1
210.11528	2.3
211.08737	1.7
211.12311	6.5
212.09471	2.7
212.13097	1.3
213.10187	3.6
213.13832	3.7
218.08009	1.1
221.10719	2.9
222.11220	7.8
223.08458	1.3
223.12250	2.2
224.09355	1.4
224.12909	1.7
225.10196	14.9
225.13766	2.0
226.10945	5.8
227.11720	6.6
233.06757	2.7
235.12282	1.5
236.09145	2.4
237.10225	6.9
238.11005	5.6
239.11771	11.2
240.12527	1.3
241.09560	1.5
241.13319	3.0
248.09189	26.4
248.70183	0.9
249.10252	5.0
250.10979	2.4
251.08203	1.7
251.11739	7.1
252.08650	1.5
252.12544	3.3
253.09715	12.3
253.13354	5.8
255.11269	4.3
261.10202	1.7
263.11810	4.2
265.09848	5.2
265.13242	2.1
266.10468	2.2
267.11310	9.7
268.11993	2.1
269.12808	4.6
271.10599	2.1
273.12460	1.2
277.09784	1.8
278.10544	1.6
279.08130	1.2
279.11188	7.6
280.12067	1.9
281.12860	8.8
283.10785	4.0
283.14447	1.3
285.09729	1.3
285.12402	7.3
286.13159	2.7
287.13861	6.4
289.09637	3.3
291.11255	2.6
293.09354	1.0
293.12701	1.9
294.09833	1.6
294.13327	1.1
295.10736	5.3
295.14410	2.6
296.11707	1.8
297.12314	3.1
298.13007	1.7
299.10620	1.0
299.13837	3.8
301.15390	5.7
303.16861	1.1
307.10599	1.1
308.11423	1.3
309.12286	4.7
311.10175	5.2
311.13849	3.0
312.10788	1.1
313.11765	18.6
313.15372	4.2
316.99997	1.1
323.13889	2.6
325.10889	2.0
326.12543	5.9
327.13290	2.5
328.14163	11.2
329.14957	22.9
335.10165	5.2
339.09479	1.1
339.13385	16.3
340.10559	1.8
341.14969	19.8
342.15668	1.0
354.11963	2.1
355.12741	4.4
355.16513	2.6
360.16779	1.2
367.12848	9.6
372.16830	1.3
374.18851	1.1
376.16302	2.5
384.68884	1.0
388.87329	0.9
398.18604	0.9
402.18414	1.3
406.21268	1.1
434.20303	2.0
444.18979	3.0
458.20938	1.2
462.19745	1.8
466.23358	1.1
470.16769	1.7
474.90796	1.1
476.21567	5.5
486.19995	1.6
494.22931	9.2
502.19684	2.3
504.21082	4.7
508.24155	2.3
518.23035	1.4
520.21252	1.1
530.19067	3.2
534.22198	1.3
536.23877	100.0
537.24011	2.9
552.23175	1.2
562.21869	13.2
574.17804	4.4
578.21399	2.2
580.22852	80.6
581.23199	2.1
606.20770	25.9
624.33722	1.8
625.14984	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	624.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.8
55.05490	0.7
56.05029	3.2
61.01162	0.8
65.03928	0.7
69.03423	1.6
69.92623	1.0
69.93032	3.3
70.06588	7.9
72.08148	2.2
74.06049	1.0
81.03405	1.8
84.04499	3.8
84.08146	3.6
85.02898	4.0
86.09695	4.2
93.07030	0.7
97.02888	2.1
99.04448	2.3
102.05547	1.1
103.03928	1.6
104.05326	1.6
109.02866	1.0
110.07172	0.8
119.04909	1.4
120.06588	0.7
120.08096	6.5
127.03907	61.4
129.10242	2.1
132.05544	1.9
145.04968	2.8
147.04398	4.3
148.04785	1.0
154.07990	0.7
160.05054	100.0
161.05408	0.8
163.06017	1.1
177.05415	0.7
188.07291	0.7
192.07661	89.0
193.07892	1.1
237.02908	0.8
267.27753	0.8
282.23978	0.6
378.12698	1.2
464.69977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01867	7.4
55.05508	19.2
57.03429	19.7
57.07056	2.1
65.03937	5.3
67.05498	75.4
69.03444	1.7
69.07063	18.0
71.04986	3.3
71.39734	1.2
75.85623	1.4
79.05487	48.4
81.03411	18.2
81.07050	47.0
81.79447	1.2
83.04976	6.9
83.08609	10.8
85.06532	11.3
91.05469	52.6
93.07034	44.7
95.01287	2.5
95.04961	62.5
95.08593	33.6
95.09160	2.4
97.06524	8.6
97.10162	4.2
99.08070	2.3
103.05440	2.9
104.10734	1.4
105.07022	52.3
107.04951	16.2
107.08580	24.5
109.02901	1.8
109.06506	39.6
109.10162	9.8
111.08099	4.6
113.06000	18.0
115.05478	6.3
117.07000	26.4
119.08566	32.8
121.06509	5.8
121.10128	12.8
123.04387	2.6
123.08063	9.6
123.11693	2.5
128.06261	4.0
129.06995	15.5
129.50397	1.4
130.07848	3.0
131.04918	1.8
131.08548	32.9
133.06529	4.3
133.10117	26.2
135.08026	22.3
135.08957	1.6
135.11650	10.2
137.05992	2.7
137.09573	1.9
141.06998	6.4
142.07784	3.1
143.08534	16.1
145.06491	6.3
145.10103	21.6
147.08026	8.5
147.11702	13.6
149.09645	5.9
149.13287	3.8
151.11180	1.6
153.07027	2.0
155.08545	10.3
156.09464	2.5
157.10104	19.2
159.08060	4.5
159.11678	16.6
160.05234	2.0
161.05922	2.0
161.09601	6.9
161.13232	7.7
163.11205	4.3
167.08583	5.4
169.10098	9.0
171.08160	2.1
171.11720	9.2
173.05936	2.0
173.09647	2.6
173.13217	8.4
175.11237	5.8
175.14795	3.0
177.12767	4.8
179.08542	2.4
179.14397	1.6
180.09355	2.4
181.10152	5.6
183.11668	8.3
185.09656	3.3
185.13272	6.4
187.11244	5.3
187.14868	4.5
189.12746	2.4
193.10123	2.9
195.11707	6.6
195.13730	2.3
196.12561	1.8
197.09514	1.9
197.13293	6.0
199.11205	4.4
199.14867	6.0
201.12756	3.1
201.16383	2.7
205.10191	2.0
205.12196	2.0
207.11751	3.6
209.13312	2.6
211.14857	2.7
213.16452	2.7
215.17888	3.2
217.15775	8.2
219.11623	2.1
221.13344	3.6
223.14873	3.9
225.12836	1.9
227.17987	2.7
233.13225	2.8
235.14833	2.4
237.16440	3.0
239.14290	1.7
239.17982	2.8
241.14236	2.6
241.19592	5.8
245.18797	1.5
251.29407	1.6
252.86674	1.4
255.17499	3.1
257.19077	4.7
259.20425	8.3
271.13174	1.7
273.18466	26.1
275.20090	5.0
279.15692	8.2
291.19501	34.8
315.23328	4.6
327.26895	5.2
333.24399	6.6
335.25861	1.9
347.22101	7.5
349.24139	2.1
353.24789	1.7
365.23615	2.0
498.44537	1.5
510.33603	1.6
513.37036	4.0
531.38660	9.0
549.39276	4.5
551.37305	2.4
567.39825	3.2
605.41882	20.1
623.43030	100.0
624.43433	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	623.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.7
53.03942	4.1
54.46653	1.5
55.01870	4.3
55.05508	21.3
57.03442	9.8
57.07084	1.8
57.50438	1.5
61.02926	27.9
65.03939	4.8
67.05504	46.3
69.03419	8.4
69.07066	16.0
69.79729	7.4
70.06586	3.4
71.04992	6.8
73.02911	8.2
79.05491	35.9
81.03416	13.8
81.07052	44.2
83.04980	5.0
83.08623	16.3
85.02904	23.9
85.06546	4.1
86.09726	1.8
91.03959	12.9
91.05479	50.8
93.07040	37.5
95.04960	11.3
95.08598	26.3
95.09154	2.3
97.02897	17.1
97.06538	7.9
97.10172	5.7
99.04420	2.2
99.08086	2.6
101.02368	1.4
103.05450	3.8
105.07026	37.4
106.79004	1.4
107.04981	8.1
107.08599	16.4
109.02886	3.3
109.06525	5.1
109.10166	13.2
111.08082	3.6
115.05456	6.3
116.06264	1.9
117.07013	31.5
117.07830	2.1
119.04986	1.8
119.08585	20.4
121.06505	7.5
121.10157	10.9
123.08049	4.4
123.11730	2.0
125.09634	4.0
127.03915	6.0
128.06197	7.7
129.07004	36.7
130.07840	2.1
131.04947	2.3
131.08568	43.2
133.06511	7.8
133.10123	15.8
135.08073	5.2
135.11676	5.8
137.09634	4.7
139.11166	2.4
140.91046	1.6
141.06975	18.9
142.07771	3.9
143.08568	29.8
145.06494	8.8
145.10112	21.5
147.08034	8.6
147.11713	5.9
149.09622	7.0
149.13284	2.5
151.11182	1.8
153.06972	1.9
154.07805	1.9
155.08560	25.0
156.09366	1.6
157.06517	3.4
157.10135	20.0
159.08078	5.8
159.11688	13.9
160.11252	3.8
161.09604	3.9
163.11168	5.9
165.07037	1.9
165.12784	1.7
166.07759	2.8
167.08562	10.5
168.09372	4.3
169.10075	19.5
171.08063	3.9
171.11656	8.2
173.09647	4.6
173.11826	2.5
173.13260	4.1
175.11183	3.4
177.09058	1.7
177.12758	5.5
179.08614	5.4
180.09378	2.8
181.10114	12.5
182.10983	1.6
183.08125	1.7
183.11687	10.5
184.07367	2.0
185.09610	3.4
185.13280	8.2
187.11229	3.5
187.14859	2.1
191.08600	2.2
193.10146	5.8
193.12173	3.5
195.11665	13.0
197.13281	9.2
199.11325	2.3
199.14815	5.8
201.12698	3.9
203.14275	3.0
207.11722	6.6
209.13272	7.5
211.11221	2.8
211.14819	6.0
213.12784	3.2
213.16403	1.8
215.14357	8.6
221.13306	8.9
223.14775	7.8
225.12794	3.8
225.16402	2.3
227.14433	2.8
227.83627	1.7
231.11594	1.7
231.13774	1.9
231.17366	1.8
235.14777	4.8
239.14322	5.5
241.15985	1.9
253.15944	5.2
257.15387	4.4
258.09015	2.1
259.17038	4.4
271.16974	5.5
283.16809	1.8
285.18570	2.0
305.22586	2.8
315.21088	1.8
323.23676	8.0
331.19339	2.3
333.22067	15.0
341.24625	7.2
351.23206	45.8
369.24219	31.3
387.25351	14.6
389.24881	1.7
396.81189	1.6
415.28558	2.2
422.17609	1.4
425.27066	9.1
433.29172	3.4
443.27951	100.0
444.28119	3.4
461.29019	62.8
462.29361	2.2
587.31689	3.1
605.32916	3.6
623.33545	6.1
624.03876	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	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44174	0.5
70.90719	0.5
71.56332	1.1
78.17847	0.5
86.81975	0.5
92.91421	0.6
94.34516	0.6
101.45148	0.5
105.25277	0.5
113.20970	0.6
115.71035	0.5
122.20706	0.5
256.59921	0.5
377.17542	1.2
379.47931	0.6
389.17920	0.8
391.19156	2.9
392.19910	2.5
393.20581	1.1
399.16248	1.5
400.16873	1.0
401.17584	1.0
402.18915	1.1
403.19446	0.9
404.20215	1.4
405.20947	4.7
406.21524	3.1
407.22296	9.6
413.17688	1.1
414.18423	2.2
415.19290	3.9
416.20374	0.9
417.20776	1.5
419.22452	1.5
420.22751	2.0
421.23795	9.4
422.24594	2.2
427.19226	1.4
428.19962	1.9
429.20786	9.6
430.21469	2.0
431.18152	1.2
433.15384	0.7
433.24496	0.9
441.20932	0.9
442.21484	1.0
443.22491	5.1
444.23044	3.0
445.20239	2.0
447.17810	1.6
455.18399	0.7
457.19269	0.7
457.24030	2.1
458.24985	5.4
459.21756	5.9
460.22473	1.9
461.18930	3.4
462.20151	1.4
463.21054	0.8
470.21201	1.2
471.21790	1.5
472.22668	5.9
473.23083	2.1
475.20731	4.6
476.21805	4.8
477.22403	1.4
483.18442	0.7
485.23547	11.2
486.19614	0.9
486.24359	2.0
487.21011	1.3
488.21954	1.9
489.22556	3.2
498.20169	0.8
499.21320	3.5
500.22052	1.9
501.22833	0.9
502.23837	1.0
503.24533	6.3
504.25000	0.7
513.22797	2.8
514.23615	1.2
515.24390	0.7
517.26166	5.0
529.25940	1.0
535.27161	3.5
536.27582	0.7
545.25427	74.9
546.25598	2.1
563.25873	1.0
564.27142	1.7
573.24902	18.6
591.26050	1.8
605.27533	100.0
606.27594	3.7
623.28583	94.8
624.29089	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	623.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
53.77924	0.5
56.23927	0.6
60.04554	0.8
62.13285	0.5
67.05498	3.5
69.89748	0.9
69.90147	2.5
70.06586	3.3
72.08161	1.9
74.11110	0.6
79.05515	0.9
81.03443	0.7
84.04485	1.0
84.08136	1.2
85.02904	0.6
86.09705	2.3
87.10077	0.6
91.05475	1.3
93.07059	0.8
94.06549	4.6
95.04987	0.7
97.06500	0.7
98.20793	0.5
101.13998	0.5
108.08109	0.8
120.08108	1.3
122.06013	16.5
126.05534	0.8
129.10210	1.0
136.07567	44.8
137.07913	0.7
140.07048	1.3
146.81386	0.5
164.07054	100.0
165.07391	1.7
174.30685	0.5
182.08110	95.5
183.08418	1.2
198.09105	3.9
215.11775	3.6
225.30034	0.5
226.08670	1.2
243.11285	16.2
257.12830	1.6
285.12329	17.3
303.13364	22.1
303.16809	1.2
321.14349	2.6
389.92621	0.7
423.99109	0.7
450.58066	0.6
554.58447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12928	3.7
53.39402	4.2
55.01863	8.5
55.05500	9.6
57.03432	16.6
57.07072	25.4
61.03594	3.5
67.05166	3.8
67.05502	48.0
69.07050	6.2
69.43623	33.0
71.08626	12.4
75.16793	3.7
79.05488	25.6
81.07050	39.4
83.08604	7.7
85.06544	8.7
85.10179	8.0
91.05450	21.8
93.07044	23.5
94.88702	3.7
95.04965	47.8
95.08599	19.1
97.01997	3.9
97.06565	5.1
97.10165	5.0
105.07041	17.8
107.04951	9.8
107.08588	18.5
107.24471	3.1
109.06507	56.3
109.10168	10.5
109.27921	3.4
113.06003	27.4
117.06988	10.3
119.08589	7.4
121.10123	7.5
128.06172	4.1
129.07019	6.4
131.08574	14.5
133.10144	5.5
135.08035	45.3
135.11694	7.5
143.08527	6.1
145.10150	11.1
149.09624	7.2
157.10143	7.2
159.11624	5.0
161.09622	7.4
211.13252	9.5
217.15913	12.8
255.17538	7.8
273.18533	37.7
291.16458	7.5
291.19543	100.0
313.27359	37.4
326.23132	3.9
331.22046	3.7
347.22269	4.3
359.56424	3.9
365.23413	8.3
561.24957	6.8
562.24902	5.3
585.45557	5.1
603.46240	32.8
621.26917	11.4
622.27203	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	621.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01862	6.6
55.05506	17.0
57.03438	8.8
61.02913	3.2
65.03932	2.0
67.05502	24.4
68.04000	0.8
68.99807	1.3
69.03075	1.2
69.03423	18.4
69.07058	8.8
70.06578	2.7
71.04990	7.0
73.02887	4.1
73.90911	0.8
74.09688	0.8
79.05486	24.8
81.03414	58.8
81.07050	23.7
83.04980	9.5
83.08624	13.1
84.08128	1.1
85.02903	23.1
85.06531	1.9
86.06044	1.1
86.09724	0.9
87.04469	1.3
90.23375	1.0
91.05476	27.3
93.07041	17.5
95.04963	32.8
95.08603	11.9
97.02899	13.0
97.06530	12.9
97.10152	7.7
99.04444	5.0
99.08089	2.4
103.03946	2.2
103.05454	2.2
105.07025	21.3
107.04952	10.2
107.08575	10.4
109.02876	11.6
109.06511	7.5
109.10149	6.6
111.04431	5.5
111.08078	5.8
114.35330	0.8
115.05438	3.8
116.10756	2.4
117.07001	7.8
119.04923	2.6
119.08580	14.5
121.02889	2.4
121.06480	8.1
121.10133	9.3
122.10464	1.1
123.04411	6.2
123.08069	2.6
123.11696	2.9
125.09605	5.7
127.03912	14.8
128.06218	2.4
129.06996	10.1
131.04904	5.1
131.08574	11.8
133.04961	1.0
133.06467	4.4
133.10132	7.7
135.04427	1.5
135.08052	4.3
135.11691	3.7
137.02310	2.0
137.05980	2.9
137.09587	2.2
141.06973	2.1
142.07756	1.7
143.08548	3.6
143.33112	0.9
145.04915	3.3
145.06491	6.6
145.10103	7.6
147.04390	5.3
147.08035	6.1
147.11697	8.7
149.05959	3.7
149.09587	4.1
151.07497	1.0
151.11116	1.4
153.01839	2.2
153.07028	1.4
153.09055	1.4
155.04970	0.9
155.08563	1.9
157.06494	2.5
157.10126	7.1
159.04430	2.2
159.08070	2.3
159.11688	3.1
161.05981	5.3
161.09622	3.7
161.13219	1.4
163.03925	4.0
163.11159	5.4
165.09087	2.4
165.12732	3.2
167.08571	1.7
169.06383	1.0
169.10101	2.1
171.04417	1.5
171.08032	2.5
171.11621	2.0
173.04469	2.6
173.06000	5.8
173.09610	3.1
173.13136	1.1
174.06616	1.0
175.03894	1.3
175.11168	6.9
177.05504	1.4
177.12613	1.5
179.08641	1.3
181.10165	1.5
181.12187	1.4
183.08076	2.5
185.05969	2.0
185.09590	1.5
187.03922	1.3
187.05994	5.9
187.07571	2.3
187.11180	1.5
189.05461	5.4
189.09145	1.7
189.11165	2.8
189.12756	2.2
191.10634	3.2
191.14246	1.4
193.10399	1.9
193.12224	17.1
195.08060	1.6
195.11554	1.5
197.06020	2.1
199.03969	1.2
199.07521	1.5
199.11258	1.2
201.05528	1.5
201.12688	1.0
203.06879	0.9
205.07086	3.1
205.10185	1.0
205.12273	2.6
207.11613	1.0
207.13736	1.3
209.11626	1.7
211.07524	1.5
211.13289	16.6
213.05461	2.5
214.18028	1.3
217.04947	9.1
217.12215	1.6
219.11884	1.2
219.13820	2.7
223.13304	1.5
225.05415	1.9
226.47951	0.9
227.07034	1.4
227.12666	2.3
229.04944	3.7
229.80362	1.2
231.13829	1.2
233.15503	1.0
235.11212	1.2
235.13193	4.9
237.12825	1.5
243.06654	1.4
243.13809	2.0
245.04483	4.6
249.14838	2.0
255.13797	2.6
257.04370	2.6
257.15408	1.4
259.13290	2.2
265.12210	1.2
267.15903	7.4
269.04358	1.7
271.06015	1.9
273.03867	5.5
273.14798	9.0
277.14368	1.4
283.06033	1.1
283.13144	2.6
285.03818	3.9
285.17038	4.1
289.14285	2.4
291.15814	1.7
299.05518	11.0
301.03424	15.7
301.14294	12.0
302.04025	3.3
302.22073	2.3
303.04956	10.7
303.15909	1.6
309.17215	1.2
311.13000	1.2
313.03384	35.0
313.07022	1.9
314.03769	1.7
319.15396	8.6
319.22501	1.3
320.23032	2.4
325.06946	2.5
326.04333	2.2
327.08508	3.4
329.13895	2.0
333.17517	1.0
337.14032	1.5
345.16843	1.4
349.21695	1.6
355.08124	29.3
355.15131	2.2
356.08423	1.2
367.22620	1.5
375.17883	4.4
385.16434	2.9
385.23651	4.8
393.18936	2.8
399.10709	81.5
400.11295	6.0
403.24646	2.7
411.18509	1.5
415.25198	1.2
417.11780	100.0
418.12122	5.7
441.26627	1.4
459.27328	8.6
460.38852	1.0
475.24774	1.1
477.28314	2.4
493.25458	2.1
501.28537	3.0
511.26599	1.8
529.27679	2.5
537.27704	1.0
539.30133	1.0
543.29553	1.9
547.26917	1.5
555.29303	1.2
567.29242	2.9
585.30627	10.8
603.31549	11.1
621.32489	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	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.45520	0.3
67.05482	0.3
70.08914	0.2
71.38374	0.2
71.38718	0.5
74.16357	0.2
79.05524	0.3
80.38995	0.3
82.06309	0.2
89.20387	0.2
90.66984	0.2
95.08611	0.4
109.10149	0.3
109.84347	0.3
113.53224	0.2
116.84364	0.3
132.08060	0.3
155.01004	0.3
211.13261	0.5
221.10733	0.4
223.12416	0.3
244.53387	0.2
257.72525	0.3
313.27191	0.3
321.37338	0.3
330.43744	0.3
338.12943	0.3
362.16434	0.3
374.15756	0.4
375.16309	0.9
376.17575	0.3
387.16098	0.7
388.16907	1.0
389.17618	3.2
390.18506	0.9
391.19159	0.9
401.17798	0.9
402.14020	0.3
402.18872	1.2
403.19461	4.1
404.20099	1.8
405.20776	2.5
415.15457	0.7
415.20035	0.5
416.16132	1.0
416.20453	0.7
417.16156	3.6
417.21115	2.0
418.17746	1.2
418.21829	0.9
419.16968	0.4
419.22385	6.5
420.23325	0.6
429.21323	0.4
430.17245	1.3
431.18076	6.6
431.23608	0.7
432.19080	2.7
433.20108	2.6
443.18436	0.8
444.19437	0.5
445.20111	6.0
446.20972	6.4
447.21817	9.3
448.22397	0.4
450.77731	0.3
457.20074	0.3
459.22882	2.7
460.18161	0.5
460.23444	0.5
461.19360	1.2
463.21228	0.5
473.19028	0.8
473.23688	1.5
474.20370	5.8
475.21243	7.9
478.23260	0.4
487.21347	3.1
488.22055	0.9
490.23697	0.3
491.21060	1.6
492.25565	0.4
501.23062	2.0
502.23627	0.6
503.20663	0.4
504.21738	0.3
505.25784	1.2
506.23718	0.3
518.23096	0.7
519.20679	0.8
529.22223	0.8
533.25482	14.1
546.22662	0.5
561.24939	21.1
562.25427	0.7
589.24597	1.1
593.27618	3.7
594.28247	0.3
621.27026	100.0
622.27258	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	621.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	2.7
71.04861	4.3
102.72207	1.5
205.47401	1.7
211.13312	1.8
375.16461	1.9
389.17804	5.1
390.19077	2.5
401.17685	2.2
402.17993	2.3
403.19293	6.6
404.20190	3.7
405.20758	3.0
417.16522	2.8
417.21436	4.4
418.22009	3.5
419.22360	9.6
431.18048	9.3
432.19565	3.5
443.19144	2.1
445.20346	9.2
446.20840	4.8
447.21881	15.8
459.22458	2.6
474.20566	12.0
475.21143	16.1
487.21359	6.0
488.21796	2.0
501.22897	4.8
531.36578	7.8
533.25580	10.7
561.24927	92.6
562.25604	4.8
589.24591	3.6
593.27386	4.5
621.27051	100.0
622.27307	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	619.276
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
50.94269	0.3
51.24837	0.2
51.55117	0.3
53.03933	0.6
55.01868	2.3
55.05498	0.4
60.04517	0.3
61.02914	0.4
65.03931	0.4
67.05497	2.0
69.03410	1.0
69.07047	0.8
69.51419	1.5
69.51821	0.9
70.06589	1.9
71.04982	0.6
72.08141	0.6
73.02898	0.4
79.05484	1.2
80.05009	0.5
81.03395	1.2
81.07048	1.8
83.04982	0.5
84.04484	0.7
84.08117	0.8
85.02887	1.5
85.06511	0.5
86.06059	0.5
86.09692	0.9
91.05471	1.9
93.05759	0.8
93.07052	2.2
93.87147	0.3
94.06558	1.0
95.04949	2.0
95.08604	1.1
97.02885	1.2
97.06512	1.2
97.10132	0.4
103.05445	0.4
105.04430	0.4
105.07013	1.4
106.06515	0.5
107.05009	0.3
107.07309	0.3
107.08574	1.0
108.04461	0.6
108.08120	4.6
109.02856	0.5
109.06529	0.4
109.10132	0.5
110.06013	0.7
110.09689	2.1
117.06979	0.3
119.04900	0.5
119.08547	0.9
120.08088	3.3
121.10149	0.4
122.05974	0.6
122.09651	1.0
124.07674	0.4
127.03893	1.3
129.10281	0.3
131.08542	0.6
133.10080	0.4
134.06024	0.5
135.06833	0.4
135.07941	0.3
135.11679	0.4
136.07568	31.9
137.05922	0.4
138.05478	0.4
138.09116	0.9
140.07147	0.4
143.10553	0.3
145.02818	0.3
145.10095	0.4
147.11713	0.4
148.03906	0.3
148.07541	1.0
149.09589	0.4
150.05482	0.4
150.09087	0.4
152.07097	0.8
153.01813	0.5
157.07541	0.4
158.06075	0.3
158.09584	0.5
160.03935	0.6
161.04666	0.8
162.05460	0.9
163.03909	0.6
164.07060	9.6
165.09108	1.1
166.08618	4.1
168.06511	0.6
169.01288	0.4
170.08342	0.5
170.09689	0.5
173.05949	0.4
174.09044	0.4
178.04961	3.0
182.08334	0.4
185.07068	0.7
185.10770	0.6
186.09166	0.5
191.10789	0.4
194.09714	0.3
195.09056	0.4
196.07532	0.6
196.09900	0.5
197.10722	0.7
198.07732	0.5
198.09302	0.6
199.08690	1.4
200.07253	0.4
200.09338	0.6
201.06612	3.5
201.10295	0.9
209.10657	0.7
210.09241	0.5
210.11449	0.9
211.08644	0.6
211.12219	0.5
211.61838	0.3
212.09276	0.4
213.06624	4.3
213.10188	3.7
219.07701	1.2
223.08601	1.0
223.12189	0.4
224.07430	0.3
224.09431	1.4
225.10159	1.1
225.13884	0.9
226.10828	0.7
227.08287	1.9
227.11760	1.4
228.06647	0.5
228.10378	0.3
229.09732	2.5
231.07625	3.0
237.10150	1.6
238.08708	0.6
238.10898	0.5
239.11862	1.7
239.13837	0.3
241.09674	4.5
241.13390	0.7
242.10422	0.4
242.14005	0.4
245.09201	0.6
247.10851	0.4
251.08138	0.8
252.08871	0.5
253.13345	2.1
254.11717	1.3
255.07661	2.4
255.11314	3.2
255.14851	0.8
256.09534	0.4
257.09216	0.9
257.12903	0.6
259.10217	0.4
265.09714	1.9
267.11234	0.7
268.12109	0.4
269.09167	5.4
269.12323	0.6
271.14417	1.0
273.08698	1.2
273.15952	3.3
275.10226	0.8
281.12827	4.6
283.10757	6.9
285.12271	0.9
287.10300	1.0
293.09137	1.5
299.13922	6.0
301.11792	0.9
303.04929	1.0
303.13403	2.7
311.10236	32.9
313.11700	0.6
329.11292	100.0
330.11646	1.5
340.20776	0.4
341.21432	0.5
347.12320	1.3
355.08038	0.5
397.09280	0.8
415.10181	2.2
422.20706	1.3
432.19214	0.5
438.20227	11.7
439.20529	0.4
450.20197	7.9
478.19421	0.5
479.19968	1.0
583.25513	0.9
601.26636	6.0
619.30176	1.1
619.37805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.01862	2.2
55.05498	2.7
56.05036	2.1
56.96547	1.5
57.03446	5.6
60.04515	2.1
61.02924	2.3
65.60622	1.0
67.05489	3.1
68.99776	3.2
69.03429	6.5
69.07050	3.5
70.06588	19.5
71.04980	2.1
71.61076	2.0
72.08146	6.6
73.02911	3.2
79.05482	3.6
80.05033	1.0
81.03407	4.2
81.07045	3.2
83.01295	1.3
83.04977	2.2
84.04491	3.6
84.08139	9.8
85.02898	12.7
85.06528	1.3
86.06076	5.7
86.09694	8.6
87.00817	1.0
91.03949	1.1
91.05450	4.8
93.07036	3.0
95.04956	2.8
95.08603	2.7
96.08118	1.9
97.02905	5.0
97.06546	2.4
97.68224	1.1
98.09650	1.5
99.04421	1.7
101.07168	1.3
103.03926	1.6
105.07013	4.2
107.04941	1.9
107.08589	2.9
108.08146	1.2
109.02868	4.3
109.06504	2.1
109.10129	2.1
110.07164	3.0
112.07598	1.1
116.10709	4.4
119.04892	1.2
119.08546	2.2
120.08092	4.2
120.43812	1.0
121.02857	1.1
121.10130	1.9
122.09641	1.4
123.04379	1.4
124.07507	1.5
125.06012	1.1
127.03925	8.3
129.06989	1.9
129.10196	3.7
131.08575	1.5
133.10115	1.2
136.07602	2.8
137.02341	3.1
137.06004	1.9
138.09048	1.1
140.10686	1.5
141.06993	3.5
142.08598	2.0
143.08652	1.1
145.04956	2.7
145.10057	1.5
147.04436	1.6
148.07596	1.6
149.09595	1.2
151.07460	1.1
153.01811	53.2
161.05972	4.2
163.03893	2.3
163.11137	1.8
164.06949	1.1
165.01857	1.4
165.09152	3.1
169.06451	2.9
171.02846	1.8
171.08061	1.9
173.05991	2.1
173.09593	1.6
175.03867	1.6
177.05487	2.7
178.04999	1.3
181.06467	1.9
183.02953	1.4
187.03831	6.3
187.06129	2.5
187.07510	2.4
189.05492	2.0
189.09074	1.4
191.03340	1.2
191.10611	1.9
195.02905	2.4
196.06059	1.4
197.05946	3.2
201.05429	1.8
205.06892	1.2
207.02898	2.3
212.16518	3.3
212.31683	1.1
213.16745	1.5
215.03400	2.8
215.07034	7.5
217.08611	3.3
225.05571	1.7
227.07019	1.5
229.05032	1.6
230.17538	1.9
231.06586	1.2
239.07048	1.7
243.06502	14.4
245.08040	1.8
252.15829	1.3
253.04907	2.3
255.11182	1.6
266.37793	1.2
267.06439	1.9
270.16879	1.6
271.06027	9.3
271.14127	1.6
271.17255	1.2
273.04001	1.8
277.05176	1.0
282.05179	1.3
283.05670	1.2
285.04001	2.3
285.07343	1.2
287.05499	1.5
287.13989	1.5
295.05994	5.1
297.03900	3.6
298.04651	2.7
299.05484	3.1
303.13254	1.9
305.08215	1.8
310.04752	3.3
311.05402	4.4
313.03394	4.7
313.07001	2.3
315.13370	11.1
322.04532	1.7
323.05499	7.1
323.09296	2.5
325.03320	1.6
326.04141	5.7
327.04956	2.0
333.07510	2.3
335.05392	1.5
337.06946	2.4
339.04965	2.6
340.05719	2.8
341.06470	8.9
342.22696	4.2
343.22995	3.1
350.04114	2.6
351.08630	9.4
351.60416	1.1
364.05859	2.1
369.09552	2.9
371.07379	1.6
379.08008	15.4
393.09637	1.0
397.09161	100.0
398.09470	1.6
415.10074	8.6
421.09155	1.1
427.14102	1.1
439.10162	4.4
439.28839	1.6
454.41492	1.2
463.53271	1.1
471.29465	1.1
510.09219	1.2
601.25134	2.4
619.26599	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	618.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18213	0.5
54.52802	0.5
55.05492	0.8
56.05017	1.5
56.96566	4.9
60.08160	7.3
67.05491	1.9
69.07060	0.9
70.06110	0.4
71.07365	5.9
71.18706	0.8
71.95248	0.7
72.08165	0.5
79.05446	0.5
81.07053	1.5
86.09699	21.2
91.05451	0.6
95.08629	1.1
95.30201	0.5
102.92602	0.8
104.10735	100.0
105.07012	0.9
121.10131	1.1
123.11746	0.6
125.00004	1.9
134.99716	0.8
136.93092	0.6
146.99669	0.5
151.07553	0.6
154.94154	2.0
172.95215	7.2
180.95763	2.1
181.02669	0.6
184.07385	1.5
190.96268	6.6
195.96776	0.6
198.96785	17.8
202.41789	0.5
210.96899	1.5
213.97731	0.5
216.97838	22.0
221.98441	1.6
228.97833	4.1
234.98943	0.8
239.99419	1.5
240.09952	2.3
246.98940	0.5
254.99442	1.7
278.65042	0.5
282.04199	0.9
300.05334	1.1
314.06784	0.5
317.96008	0.5
319.19391	8.6
337.20465	22.1
337.26758	1.0
355.21637	1.3
360.22089	2.9
439.19302	2.0
441.36456	0.6
443.18689	2.4
455.18628	1.2
473.19803	5.1
496.21603	0.6
499.21365	5.4
502.26010	10.5
551.74744	0.5
558.28687	16.0
618.30640	13.5
618.40814	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	617.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44841	1.0
69.76427	7.0
70.06588	95.2
74.06083	2.7
84.04506	5.7
85.02957	1.3
89.94142	1.3
91.05467	1.4
101.07112	1.3
102.05528	2.2
103.72836	1.0
112.07598	100.0
115.75651	0.9
119.04939	3.0
130.04991	2.6
140.07057	71.3
147.04419	5.0
157.09721	18.2
197.39220	1.1
213.08678	5.1
223.65216	1.2
231.09726	4.1
240.13374	5.1
249.63420	1.0
268.12885	21.3
289.05740	1.2
314.13666	1.8
325.15140	1.9
332.14487	8.6
334.13867	1.7
341.18198	3.3
351.16568	18.2
369.17529	8.7
417.34937	1.3
480.20850	9.5
564.22882	1.7
581.25574	3.8
582.24487	1.7
599.26617	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	617.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.05498	10.4
57.07076	11.5
58.76179	2.3
59.04985	3.9
67.05505	22.5
69.03427	13.0
69.07056	17.7
70.37386	3.1
71.08611	2.7
71.60932	2.9
73.74434	2.6
78.52306	2.5
79.05499	21.6
80.05842	3.1
81.03370	3.7
81.07054	35.2
83.04985	9.1
83.08612	6.9
85.02876	3.0
85.06538	3.9
87.04503	3.2
89.06026	7.3
89.97151	2.5
91.05470	32.9
93.07040	52.5
95.04956	15.7
95.08604	25.8
97.06532	8.0
97.10159	2.7
98.62271	2.5
103.05430	5.2
105.07021	56.9
105.07658	3.9
107.04964	4.5
107.08585	38.0
109.06518	15.6
109.10140	17.9
111.08097	4.6
117.07005	12.7
119.08559	39.0
121.06521	11.8
121.10130	49.2
123.08071	28.6
123.11732	8.7
125.05965	6.4
125.09665	7.1
128.06215	5.9
129.07018	10.2
130.07805	4.2
131.08562	23.9
133.06496	6.8
133.08621	6.3
133.10120	31.0
135.08026	17.3
135.11696	10.6
137.09647	10.0
139.11192	5.2
141.06956	3.1
142.07788	12.0
143.08559	19.3
144.09357	4.1
145.10115	25.3
147.07985	16.0
147.11644	13.9
149.09555	16.7
151.07526	42.9
151.11240	3.2
156.09361	9.5
157.10103	28.3
159.08089	5.7
159.11671	16.2
161.09650	10.1
161.13220	7.1
163.11113	13.1
165.09125	31.5
167.08496	5.5
167.10680	53.4
169.10135	11.3
170.10910	6.0
171.11653	13.7
173.09630	7.3
173.13303	10.0
175.11165	6.5
175.14822	6.3
177.09177	7.3
177.12721	3.0
179.08542	5.5
180.01416	2.8
181.10284	4.2
181.12285	11.9
182.10962	4.3
183.11760	8.8
185.13315	9.8
187.11290	4.8
187.14690	3.8
189.12759	15.1
191.14330	7.7
193.10085	3.4
194.10881	5.2
195.11739	7.1
197.13318	11.1
199.11246	3.1
199.14847	2.9
201.12726	4.8
203.14255	17.0
207.11839	5.9
207.13850	27.1
209.13316	9.7
209.15378	7.8
211.14929	6.5
213.12766	3.3
215.14391	4.9
217.16052	3.3
219.11859	4.3
219.13890	4.1
220.12558	4.0
221.13342	3.7
221.15337	80.2
225.12793	3.4
227.14377	4.5
233.13382	3.3
233.15375	14.1
235.14896	3.7
247.17018	3.1
249.16087	2.8
253.15947	3.3
254.70297	2.8
259.14813	3.0
277.96695	2.7
286.19305	5.9
287.08994	2.8
287.20251	3.7
299.20081	4.5
311.95068	3.2
352.24109	2.9
359.23526	3.0
377.24957	4.1
409.27634	3.8
458.34937	3.3
525.35492	4.1
581.39722	9.8
599.41022	34.6
617.41980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07690	0.7
53.03938	1.0
55.05505	1.8
55.12244	0.6
56.96562	24.1
57.03435	0.7
57.07080	1.4
66.57454	0.6
67.05498	3.6
69.03445	0.8
69.07064	2.1
70.06582	1.4
79.05483	4.1
81.03426	0.9
81.07063	4.5
83.04984	1.1
83.08618	1.8
84.96029	16.4
85.06557	1.0
91.05467	5.0
93.07030	6.5
95.04965	2.4
95.08593	4.3
97.06531	1.2
98.21626	1.1
98.97569	9.0
101.38884	0.6
102.97078	3.2
103.05534	0.7
105.07024	6.5
107.08575	4.8
109.06530	2.3
109.10130	3.2
110.97577	0.6
111.08079	0.7
112.99153	1.0
115.05492	0.6
116.98604	9.5
117.07018	1.4
119.08582	5.7
120.98098	0.8
121.06523	0.9
121.10159	5.7
123.08028	3.1
123.11713	1.5
125.06020	0.7
125.09622	1.0
128.06181	0.7
128.98630	2.6
129.07010	1.6
131.00191	2.2
131.08580	3.3
133.10120	4.8
134.99648	7.7
135.08070	1.8
135.11714	1.7
137.09615	1.0
140.00145	0.7
140.98595	1.3
142.07793	0.8
143.00177	6.2
143.08595	2.1
144.98112	2.6
145.10117	3.7
146.99626	6.2
147.08043	1.8
147.11691	1.5
149.01245	2.7
149.09651	1.8
151.07547	3.2
151.11140	0.7
153.00687	0.8
155.00174	1.2
155.08452	1.1
156.09375	1.1
157.01741	0.9
157.10121	3.5
158.01219	1.3
158.99672	3.5
159.11623	3.2
161.01212	18.3
161.02554	0.9
161.09618	1.0
161.13260	0.7
162.99110	6.9
163.11241	1.9
165.00780	1.5
165.09135	2.6
166.01852	0.7
167.02304	1.9
167.10683	3.1
169.10100	1.7
171.11710	1.9
173.01251	4.0
173.13266	1.6
175.02878	1.0
175.11281	0.9
175.14857	1.0
177.00771	1.8
179.02325	4.2
180.94789	0.7
181.00200	1.4
181.12305	2.0
182.99716	2.3
183.11745	1.8
184.02827	1.5
185.01295	1.0
185.13318	1.0
186.00803	1.1
187.14912	0.8
189.12737	1.0
190.95403	2.1
191.02342	2.2
195.01811	0.7
195.11760	1.3
197.13269	1.3
198.95880	5.1
199.14803	0.8
201.00702	8.6
203.02348	1.0
203.14442	1.5
207.11827	0.8
207.13773	1.6
212.97510	0.8
216.96939	1.8
219.00034	0.7
219.01753	4.0
221.15346	5.7
224.02451	0.7
224.97368	0.7
228.96910	1.5
229.15921	0.7
233.15392	1.3
240.96951	3.2
242.98497	2.6
246.95839	1.3
246.98083	1.1
254.98456	1.3
258.97949	1.2
264.96851	8.6
282.97955	12.9
286.19284	1.1
300.99030	9.8
305.99539	2.4
313.21552	0.8
317.17850	21.6
324.00339	0.8
335.18903	12.0
357.01889	1.1
358.20627	2.8
371.05637	0.7
375.02887	1.7
389.23337	1.1
391.21771	2.5
400.72394	0.7
437.23254	0.8
557.21173	1.4
599.21930	2.9
599.41034	2.8
617.23029	100.0
617.36792	9.0
618.23431	2.8
643.69348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	21.3
57.02387	0.4
67.05494	0.6
70.12528	1.0
70.12917	0.8
71.95267	0.8
74.97581	0.6
81.03411	0.8
81.07050	0.9
84.96029	15.1
91.05462	0.7
93.07024	1.0
95.08585	0.8
98.21478	0.5
98.97580	11.0
100.27110	0.3
100.99012	0.4
102.97081	3.2
105.07031	0.8
107.08575	0.6
109.10125	0.6
110.97581	1.4
112.99135	1.1
116.98612	8.6
119.08582	0.8
120.98127	0.6
121.10182	0.4
123.08043	0.6
124.99113	1.5
128.98572	3.3
131.00150	2.5
133.10110	0.9
134.99638	3.8
135.08023	0.5
135.37321	0.4
140.00200	0.5
140.98599	2.0
143.00156	8.6
143.01254	0.6
144.98087	3.3
145.10060	0.4
146.99632	4.8
149.01212	3.7
153.00696	0.7
154.93262	0.6
155.00151	1.5
157.01721	1.4
158.99643	3.5
161.01212	17.2
162.99127	6.5
164.98564	0.5
165.00671	0.9
167.02283	2.1
170.01212	0.4
172.94295	1.0
173.01250	4.0
175.02808	1.2
176.66597	0.4
177.00723	1.9
179.02246	4.1
180.94812	1.0
181.00214	1.3
182.99625	4.0
184.02870	1.1
185.01250	0.9
189.00652	0.5
190.95369	1.6
191.02277	1.2
193.03699	0.4
198.95839	5.6
201.00714	10.5
201.02579	0.7
203.02339	1.1
212.97412	1.1
216.96954	1.2
217.03851	0.5
219.01750	3.7
221.15457	0.7
221.97508	0.5
222.95760	0.7
224.02197	0.5
224.97475	1.6
228.96875	2.0
240.96877	3.8
241.39906	0.4
242.98454	2.6
245.10693	0.5
246.95741	1.9
246.98055	1.5
254.98541	0.9
258.98102	2.2
260.99539	0.9
264.96887	9.6
264.99542	0.5
281.99710	0.4
282.97934	19.1
287.98468	0.6
296.99634	1.4
300.98996	15.0
305.99658	1.5
317.17862	19.5
318.18039	0.4
318.99667	0.5
324.00696	0.6
335.18906	11.9
336.19473	0.5
353.19928	0.5
357.01480	2.6
358.20560	1.0
375.02609	3.6
391.21552	2.4
395.18231	0.4
482.15167	0.4
489.19028	0.4
557.20886	1.6
581.20721	0.6
599.21655	2.6
599.41290	0.5
617.22998	100.0
618.23322	4.6
630.29803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.05500	10.8
56.96566	11.1
57.03428	3.7
57.07062	6.4
61.02916	5.5
65.03925	3.2
67.05505	27.2
67.39185	1.9
69.03420	12.8
69.07058	15.3
71.04987	3.3
71.60839	2.8
73.02901	5.1
79.05485	15.0
81.03400	2.0
81.07057	32.1
83.04958	7.2
83.08613	4.9
85.02900	4.5
85.06527	4.5
86.53380	2.0
91.03961	3.3
91.05479	20.3
93.07040	31.3
95.04964	11.2
95.08607	23.8
97.02872	8.0
97.06516	3.6
98.97578	9.6
105.07023	29.2
107.08599	27.1
109.06485	11.1
109.10159	12.7
111.07983	2.1
115.05421	2.7
116.98611	11.1
117.06999	5.3
119.01829	2.2
119.08571	31.1
121.06445	5.7
121.10131	27.8
123.08064	20.2
123.11698	4.3
125.05978	5.9
125.09642	5.9
128.06194	3.4
128.98581	3.0
129.06985	5.2
131.00169	8.1
131.08598	14.8
133.06505	4.0
133.10109	15.3
134.99626	5.0
135.08064	9.6
135.11671	8.7
137.09625	7.4
141.06990	4.0
142.07788	6.3
143.08556	11.7
145.06508	2.1
145.10118	18.7
146.99678	3.7
147.03094	6.0
147.08043	12.5
147.11674	12.3
149.01202	31.1
149.09607	13.2
151.07544	21.6
151.11156	2.6
153.09093	3.1
155.08519	5.4
156.03583	13.9
156.09297	5.4
157.10081	12.8
158.10858	3.1
158.99640	4.2
159.08057	7.4
159.11658	10.8
161.01236	4.9
161.09569	5.4
161.13243	5.3
163.11172	8.8
165.06967	3.6
165.09081	19.3
167.02296	12.9
167.08522	5.0
167.10649	26.0
167.54398	3.7
169.10118	6.6
170.99597	2.3
171.11665	9.4
172.02884	2.8
173.01221	2.9
173.09547	5.5
173.13235	8.0
175.11148	3.4
175.14732	4.8
177.00655	11.5
177.12868	2.5
179.08551	4.0
181.10176	7.1
181.12238	8.7
183.11685	8.2
185.09633	12.2
185.13251	3.4
187.11101	3.6
189.12726	9.5
191.02312	5.0
191.14175	3.1
193.08549	2.3
193.10107	3.7
194.10863	4.3
195.11714	9.2
197.09595	3.9
197.13312	4.7
199.11163	3.6
199.14810	3.6
203.02275	3.7
203.14369	7.4
207.11716	6.3
207.13808	13.2
209.13202	6.0
209.15187	2.5
211.11180	3.4
211.14774	3.1
213.12773	2.8
215.14275	2.9
217.15791	2.9
219.05168	3.2
219.11739	2.7
221.13354	4.1
221.15321	26.0
223.11224	2.8
223.14861	5.0
225.12779	4.4
227.14310	3.0
229.10161	3.0
231.11665	3.1
233.13297	4.3
233.15376	11.2
235.14804	2.8
237.16243	2.3
245.13239	3.1
247.17029	4.0
249.16266	2.7
263.14096	2.6
277.13690	8.8
278.14441	8.2
287.20099	2.5
293.05420	6.1
302.15585	2.2
311.06519	4.5
315.19559	7.3
317.17935	4.9
318.18036	3.1
335.18896	3.4
337.20258	5.3
358.16367	35.7
358.66541	8.4
359.17175	100.0
379.68338	12.0
381.24319	4.5
384.56985	2.1
389.24649	2.9
407.25824	12.8
425.30762	2.8
507.35440	2.6
535.30139	14.4
555.27563	4.0
597.39520	16.8
615.40912	62.0
616.40704	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	615.3138
Annotation	Wikstroelide H
Peak:m/z	Relative Intensity
55.05498	2.2
67.05505	3.4
69.03434	1.3
69.07050	2.5
69.49025	0.9
70.06586	1.6
71.60576	1.5
79.05505	2.9
81.07053	3.2
85.02899	1.6
89.93613	1.0
91.05489	3.0
91.37905	1.0
93.07056	3.6
93.90111	0.9
95.04971	2.7
95.08605	2.5
97.02813	1.1
97.06538	2.3
98.37244	0.9
105.07045	3.0
107.08590	2.8
109.06521	1.9
109.10171	1.3
117.22047	1.1
119.08583	3.0
121.06487	1.2
121.10151	3.9
123.08084	1.4
127.31320	0.9
130.26962	1.0
131.08582	1.5
133.10167	2.0
135.08066	1.4
137.09552	1.3
140.23686	0.9
142.07770	1.4
143.08607	1.1
145.10130	1.6
145.54037	1.0
149.09601	1.2
155.08650	1.3
159.11742	2.6
167.10684	3.3
171.11754	1.5
179.08521	1.1
221.15419	1.6
233.15419	2.8
285.10144	2.4
341.21524	1.1
385.63705	0.9
505.97211	1.2
523.54907	1.0
615.31372	100.0
615.39240	4.1
616.32056	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	615.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
55.05495	1.8
64.14838	0.9
65.03944	0.9
67.05497	3.6
69.03422	2.0
69.07082	2.5
70.06581	3.7
71.60287	1.8
72.08143	0.9
73.02887	1.1
79.05495	2.9
81.03422	3.5
81.07051	2.8
82.06559	1.6
85.02902	2.2
86.09693	1.3
91.05468	3.8
93.07031	6.6
94.06554	2.7
95.04987	1.5
95.07346	2.7
95.08616	2.5
96.08131	5.8
97.02869	2.2
97.06548	2.2
105.07029	3.0
107.08600	3.3
108.08115	2.8
109.10155	2.5
110.07128	0.9
110.09666	9.9
119.08566	3.0
120.08105	8.5
121.10136	3.2
123.08065	1.5
124.07622	2.0
131.08571	1.0
133.10133	1.7
136.07567	1.9
138.09123	12.2
145.10138	2.3
146.06001	2.2
147.11670	1.3
148.07574	2.2
149.09659	1.3
157.00661	1.0
157.10150	1.3
159.08069	1.1
159.11653	2.0
163.03856	1.2
166.08620	14.7
167.10622	1.9
201.16351	1.3
204.89178	1.0
216.45000	1.0
225.10239	4.2
226.10851	2.2
227.11748	1.1
233.15411	1.5
235.08499	1.2
236.09395	2.3
237.10272	9.0
238.10976	2.8
239.11761	4.7
241.13184	1.1
249.10120	2.9
251.11838	10.1
252.08728	1.3
252.12573	9.3
253.09700	3.2
253.13330	1.5
255.11230	3.1
264.09042	1.7
265.09750	3.9
267.11316	8.1
268.12094	1.4
269.12808	1.8
279.11267	10.0
280.12097	4.3
281.12695	1.9
282.10022	3.1
283.06158	1.3
283.10681	1.5
285.12354	4.2
286.69543	1.3
295.11240	1.7
295.14417	5.5
297.12299	17.4
299.13974	1.0
309.12225	2.2
311.13870	3.7
312.11118	3.0
313.11798	14.1
317.14941	5.0
325.11847	23.2
327.13403	5.8
339.13327	13.0
340.14236	2.8
340.18008	1.2
341.14935	1.4
370.15601	1.8
418.17462	3.1
420.19080	2.8
430.17661	9.0
450.20206	1.2
460.18756	1.1
478.19733	15.2
492.21320	21.6
493.22073	100.0
494.22580	3.7
555.25226	1.2
565.24402	2.4
583.25311	18.4
615.33423	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	614.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	15.1
57.03424	18.2
65.35692	4.5
67.05500	46.2
69.07062	18.3
71.59745	7.2
79.05504	22.9
81.03412	68.1
81.07047	53.9
83.08639	25.9
89.06004	7.2
91.05475	18.4
93.07048	22.1
95.04964	20.8
95.08595	30.4
97.10158	11.8
105.07025	21.3
107.08597	18.6
109.06551	7.0
109.10155	9.9
111.08031	6.3
117.06960	5.8
119.08553	24.3
121.10154	14.2
123.08048	4.9
129.07024	7.5
131.08557	12.3
133.08582	15.5
133.10132	12.7
143.08522	7.5
145.10170	6.2
146.57463	5.0
147.11700	7.2
149.09642	9.2
157.10149	10.6
163.63589	4.9
173.79094	6.1
175.11162	9.1
175.35907	5.4
193.12238	20.7
249.14848	5.5
263.23676	5.9
267.15897	100.0
337.27264	77.2
384.22992	6.5
529.39008	65.6
547.39777	24.0
588.35211	5.8
614.30798	5.3
614.39819	11.0
614.48712	11.3
637.25720	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	614.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
54.62202	1.0
55.01864	5.3
55.05510	8.1
56.05019	1.3
56.96562	1.7
57.03430	3.6
61.02931	6.1
65.03931	2.3
67.05501	18.3
69.03420	14.9
69.07064	15.3
70.06587	11.4
70.94856	1.2
71.01324	1.4
71.04987	10.6
71.59711	1.1
71.60162	1.4
72.08169	3.0
73.02908	2.5
73.17651	1.0
79.05486	16.0
81.03410	21.1
81.07052	35.1
82.07347	1.2
83.04972	22.1
83.08630	6.4
83.77477	1.2
84.04481	1.2
84.08134	4.6
85.02890	13.1
85.06531	5.1
86.09703	2.8
87.04462	2.2
91.03951	2.3
91.05474	16.5
92.02647	1.3
93.03389	2.9
93.07037	36.0
94.06553	4.6
95.04966	15.8
95.08597	29.9
96.08111	2.1
97.02884	11.2
97.06525	28.9
97.10165	1.3
98.06049	1.3
99.04452	17.9
99.08065	1.8
101.06034	2.0
103.05463	1.9
105.07021	24.1
107.04945	6.8
107.08589	21.2
109.02866	30.5
109.03571	2.2
109.06508	21.4
109.10143	5.6
110.07184	2.3
110.09734	1.1
110.10390	1.2
111.00813	1.4
111.04435	2.9
111.08076	17.6
112.07581	1.4
113.06007	2.7
115.05439	2.1
117.07025	2.9
119.04952	7.5
119.08579	13.2
120.08118	3.4
121.02878	2.6
121.06493	48.5
121.07367	2.7
121.10107	6.6
121.65032	1.3
122.06017	3.8
123.04420	5.5
123.08064	5.7
123.11696	7.4
124.07577	2.7
125.05986	16.0
127.03905	20.6
127.07536	8.6
129.07005	5.5
131.08553	7.1
133.06453	3.8
133.10129	18.2
135.04439	4.2
135.08044	12.1
135.11679	1.2
136.07552	1.5
137.02335	2.9
137.05954	7.4
137.09627	2.3
138.05440	1.4
138.09140	3.1
139.07516	18.0
141.05469	2.3
142.07800	1.9
143.07036	15.9
143.08545	5.5
145.06467	3.3
145.10114	8.7
147.04404	22.9
147.08032	4.5
147.10486	1.9
147.11671	39.5
148.07524	1.9
149.09589	2.2
149.13234	3.6
150.05479	9.4
151.03903	1.7
151.11183	4.3
152.07051	6.1
153.01810	15.1
153.09047	2.4
155.07069	1.5
155.08583	1.5
156.09253	1.7
157.06570	2.3
157.08617	7.9
157.10120	12.6
158.10587	1.4
159.06531	5.9
159.07893	2.5
161.05974	2.7
161.09607	2.6
161.13234	9.2
163.03876	3.7
163.07585	1.2
165.01900	1.3
165.12758	12.3
166.07751	1.5
167.07062	4.0
168.07446	1.5
169.08609	1.8
169.12241	16.0
171.11682	11.5
173.09630	3.2
173.13300	1.5
175.07536	1.5
175.11171	25.5
177.05513	1.6
179.14236	1.6
181.10109	3.5
187.05995	10.9
187.11188	2.1
189.12729	18.9
191.10667	2.9
193.12234	29.5
199.11169	19.9
201.05449	2.4
201.09113	1.8
203.03401	1.6
205.07027	3.9
207.13777	10.2
211.13261	24.0
215.10724	1.3
217.04893	3.4
217.12219	55.8
225.14703	1.4
228.04112	2.3
229.04933	5.4
229.14323	10.1
231.03018	1.7
235.13264	70.3
245.04507	3.4
246.05260	1.6
247.05893	1.9
251.09113	1.5
253.14340	100.0
257.04483	3.0
259.09622	2.8
260.03165	1.4
271.15363	19.5
273.04004	3.9
274.04623	6.3
285.03842	3.7
289.16483	5.0
295.15411	2.5
301.03452	3.0
301.14362	2.0
302.04187	40.5
303.04947	56.1
304.05460	4.6
313.16425	2.1
319.15384	2.8
328.04764	1.6
333.16714	2.3
337.16660	1.4
343.15448	3.6
361.16479	5.5
378.13733	1.4
379.08237	2.6
379.17587	12.8
386.13013	1.7
397.18500	23.7
415.19672	15.7
424.09872	1.5
433.20868	2.4
434.08566	3.2
452.09717	62.2
453.10052	3.3
578.36969	2.2
596.21814	1.5
596.37408	4.0
614.22845	2.9
614.39130	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	613.4819
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03934	2.0
53.38032	1.1
55.01861	1.8
55.05505	19.8
57.03437	6.1
57.07058	5.8
63.79286	1.3
65.03945	3.2
67.05501	59.2
69.03432	1.6
69.06712	1.9
69.07062	22.2
70.81480	4.6
71.05003	1.8
71.08633	1.8
79.05492	34.0
81.07053	67.9
83.04945	2.1
83.08622	12.7
85.06545	3.7
91.05476	27.4
93.07034	40.7
95.04958	4.8
95.08601	55.8
97.06525	4.5
97.09586	1.1
97.10150	7.7
99.08060	1.7
105.07024	33.6
107.08585	25.9
109.10147	29.7
111.11723	1.9
111.74927	1.4
117.07020	12.2
119.08571	26.7
121.10120	23.8
121.10902	1.7
123.08103	1.5
123.11691	11.3
125.09627	2.0
129.07025	5.4
131.08562	22.5
133.10115	23.3
135.11673	16.6
137.13246	2.9
141.06993	1.4
143.08481	7.7
145.10112	22.5
147.11671	16.6
149.13248	9.1
151.11208	1.5
157.10100	6.8
159.11671	18.6
161.13237	12.3
163.14832	5.4
169.10048	2.5
171.11714	7.7
173.13269	13.8
175.14824	5.2
177.16458	2.3
183.11749	3.7
185.13237	6.0
187.14793	8.8
189.16374	3.4
197.13371	1.6
199.14861	4.1
201.16383	4.2
203.18036	1.8
209.13286	2.3
213.16432	2.4
215.18106	1.8
217.19505	1.5
227.18007	1.5
229.19585	2.0
231.21155	2.7
236.69376	1.2
239.17850	1.7
241.19519	2.9
243.21072	3.1
245.18987	1.8
245.22939	1.3
259.20551	11.0
261.22223	10.5
273.22226	3.1
276.90860	1.5
287.23810	1.4
297.24612	2.3
299.23752	1.6
317.24902	1.8
321.24429	1.6
333.24371	5.3
335.25800	14.8
337.27451	8.0
341.28333	1.7
347.25772	1.9
366.64169	1.2
375.28879	1.7
475.34662	1.4
489.35715	1.7
521.43524	5.2
529.39587	1.4
531.41174	1.7
539.44409	2.8
543.40637	2.5
566.91620	2.1
595.47192	14.5
613.48218	100.0
614.48608	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	613.482
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02378	1.0
53.03942	3.4
55.01874	1.2
55.05254	1.3
55.05507	20.5
57.03431	6.0
57.07076	4.6
57.59109	0.8
65.03932	4.4
67.05499	61.1
69.07063	22.0
71.03012	1.7
71.03374	1.6
71.04985	3.1
71.08622	1.5
79.05486	36.1
81.07048	65.1
83.04964	1.5
83.08614	10.5
85.06546	2.5
91.05471	27.0
93.07034	41.5
95.04951	4.2
95.08595	55.4
97.06515	2.5
97.10146	5.4
99.08114	1.1
101.70963	0.7
105.07020	29.6
107.08582	27.4
109.06509	1.4
109.10144	24.8
111.08073	1.7
117.06991	12.0
119.08569	30.4
121.10129	22.5
123.08060	0.9
123.11685	10.6
129.07014	5.4
129.50304	0.8
131.08549	22.4
133.10121	21.9
135.11682	16.9
137.09621	1.0
137.13225	4.2
143.08549	8.5
145.10106	20.2
147.11674	18.2
149.13228	8.9
151.14798	2.4
153.12788	1.1
155.08595	2.5
157.10159	7.0
159.11676	16.8
161.13242	12.9
163.11143	1.7
163.14796	4.8
169.10153	3.4
171.11653	6.6
173.13243	12.5
175.14822	7.7
177.12788	1.4
177.16382	1.4
181.10136	1.3
183.11700	2.9
185.13220	6.2
187.14848	6.1
189.12845	1.0
189.16399	3.1
195.11664	0.9
197.13295	2.2
199.14798	4.8
201.16289	3.7
203.17976	1.9
205.15974	1.0
211.14838	1.6
213.16406	3.5
215.17902	2.8
217.19504	1.9
225.16403	0.9
227.18060	1.8
229.19502	1.6
239.18053	1.6
241.19659	3.6
243.21130	3.5
244.21512	0.9
245.18973	1.0
245.22717	1.3
247.20578	1.0
257.18945	0.9
259.20532	7.8
261.22089	12.0
263.20227	0.8
263.23752	1.2
273.22089	1.5
275.23740	0.9
285.22073	0.9
287.23810	1.5
289.25201	0.8
291.23041	1.2
299.23718	1.6
301.25299	1.2
309.24475	1.0
313.25278	1.5
315.23343	1.1
315.26962	1.2
317.24802	2.0
327.26825	1.0
333.24130	5.5
335.25732	16.1
337.27316	8.7
351.25583	1.0
371.29221	0.9
451.35306	0.8
489.35913	2.3
491.37024	1.5
503.36789	1.1
503.43289	1.0
517.38757	1.3
521.43530	6.7
529.38745	1.4
539.44519	3.0
543.40497	1.6
566.91223	2.2
595.47198	11.5
613.48193	100.0
614.48578	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	613.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.7
55.01864	17.9
55.05510	16.4
67.05496	58.3
69.03421	28.8
69.07058	28.0
69.35131	35.2
69.35551	29.5
70.06577	42.1
71.04996	14.0
72.08142	17.8
77.75870	7.1
79.05490	30.9
81.03407	45.4
81.07054	43.6
83.04965	19.2
83.08612	8.1
84.08149	19.9
85.02904	25.3
85.06535	24.5
86.09702	20.0
91.05486	24.8
93.07028	61.7
95.04970	18.3
95.08033	11.6
95.08598	100.0
97.02895	14.7
97.06530	44.1
105.07014	55.8
107.04943	9.1
107.08589	67.3
109.02863	33.0
109.06502	24.7
109.10160	16.3
111.04399	7.5
111.08085	10.3
113.06038	11.2
117.07041	12.7
119.08577	32.5
120.08090	16.6
121.06538	25.8
121.10139	47.4
123.08040	39.4
127.03911	28.7
131.08568	8.5
133.10136	12.2
135.08052	11.7
135.11708	22.3
136.07565	8.1
137.05956	11.9
137.09610	13.7
145.10155	38.3
147.04382	8.3
147.11717	18.2
148.07590	16.4
149.09615	82.1
151.07571	12.9
151.11151	6.8
159.11674	8.4
161.13240	24.3
162.15222	6.6
163.03882	20.1
163.11171	77.2
167.07091	8.1
167.10674	28.2
169.08589	75.7
171.11736	12.1
181.12233	24.4
183.57048	6.5
189.12743	34.2
191.06987	9.2
191.10718	29.9
193.12128	7.0
207.13779	97.7
209.11711	28.7
225.14825	21.9
227.12752	75.9
252.08891	8.1
259.09906	10.7
271.14438	16.5
289.14432	7.5
300.28195	6.9
353.16116	53.0
365.21429	10.7
371.16776	15.2
436.24051	7.6
509.18198	8.0
595.30255	15.5
613.32813	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	613.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24742	1.8
53.03941	2.2
55.05501	2.8
56.96562	36.1
67.05490	6.1
69.03417	2.1
69.07063	4.8
71.61073	2.7
71.95251	4.3
74.97607	1.7
79.05484	5.9
81.03398	1.9
81.07046	5.2
83.04950	1.9
83.08605	2.0
84.96021	7.1
91.05479	8.2
93.07034	8.8
95.04942	3.2
95.08586	4.9
95.38085	1.5
96.73920	1.7
98.97578	53.8
105.07010	9.3
107.08595	4.8
107.84007	1.5
109.06512	2.5
109.10168	3.9
110.97589	2.1
111.07980	1.6
112.99146	8.5
113.02213	1.6
116.98615	57.2
117.06992	2.4
119.08546	8.7
120.98147	1.6
121.10146	6.2
123.08092	3.1
128.98605	5.8
131.00156	36.2
131.08574	4.6
133.10126	6.2
134.99657	37.7
138.51740	1.6
140.00151	4.3
140.98581	2.5
143.00180	6.6
143.08521	3.0
145.10127	4.1
146.99635	11.9
147.11777	1.9
149.01215	60.5
149.09598	2.8
153.00739	4.9
153.06931	1.7
154.01750	2.5
156.09236	1.8
157.10165	5.0
158.01253	4.7
158.99635	24.3
161.01196	18.4
162.77829	1.8
165.00694	2.4
167.02277	14.7
167.10738	1.9
169.10153	1.8
170.01230	1.8
170.99631	3.4
172.02803	7.0
173.01215	6.9
173.13373	1.8
177.00705	58.5
179.02296	4.5
183.11714	3.1
185.01309	3.8
185.13228	2.4
189.00699	5.4
191.02258	9.4
195.01768	10.6
199.02760	10.1
200.02309	8.9
201.00697	2.2
203.02281	8.4
207.01689	2.2
209.01183	3.1
215.02353	5.1
217.03819	9.0
219.01782	6.8
226.03792	1.9
227.02274	2.0
233.03357	4.2
233.15425	1.8
237.02773	8.0
275.04401	21.3
278.87909	1.9
293.05411	67.6
311.06454	15.4
316.07010	11.7
317.17859	100.0
318.18106	1.7
333.70999	1.6
334.08221	2.9
335.18912	55.8
358.20502	17.6
377.19943	12.0
391.21582	4.8
403.21436	3.2
497.23938	6.4
553.26843	70.6
577.34802	2.3
581.39636	2.1
613.42206	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	612.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01859	0.8
56.05018	1.2
57.03412	1.3
60.04515	1.6
61.72890	0.7
65.03928	1.0
67.05486	2.6
69.03412	1.5
69.07050	1.4
70.06593	6.5
71.04992	1.1
71.59991	0.7
71.60373	0.7
71.87740	0.7
72.08141	1.9
73.02907	0.9
79.05495	4.1
80.04993	1.7
81.03407	1.7
81.07043	2.3
82.06536	1.0
83.04951	0.7
84.04502	1.0
84.08117	2.6
85.02876	2.2
86.06039	0.9
86.09719	3.3
89.03896	2.3
91.03907	0.9
91.05447	3.4
93.07039	3.9
94.06561	10.4
95.04959	2.2
95.08586	2.0
96.08133	2.4
97.02876	1.6
97.06515	2.5
98.06048	1.4
103.05452	2.2
105.05773	0.8
105.07040	1.7
106.06539	2.6
107.04925	1.0
107.07365	0.9
107.08576	1.6
108.04465	13.1
108.08109	7.2
109.02908	1.2
109.06487	1.4
109.10133	1.3
110.06069	0.9
110.07146	1.2
110.09688	1.1
111.04448	0.6
115.05486	0.7
116.04971	9.2
116.07048	0.7
118.06524	1.1
119.08599	1.7
120.04482	5.2
120.08086	15.2
120.08919	1.1
121.02831	0.8
121.06519	1.1
121.10124	1.1
122.06021	18.4
123.08082	0.6
124.07583	13.2
129.10233	1.1
131.04881	1.0
131.08556	0.8
132.08034	0.9
133.10136	0.7
134.05943	0.8
135.04443	0.7
136.07568	19.0
137.05998	1.4
138.05495	1.2
138.09142	1.8
140.07060	2.5
140.10768	0.7
144.04439	13.2
146.05994	18.5
146.07083	1.3
147.04401	1.2
148.07559	30.6
149.07884	0.7
150.05492	3.3
152.07071	2.4
158.06027	2.0
160.03947	3.3
160.07542	1.5
162.05467	3.1
163.03912	1.9
164.07060	1.2
166.05045	0.7
166.08626	1.8
167.07149	0.7
167.08618	0.7
168.06555	13.5
170.06004	1.0
170.08218	0.9
172.03920	36.9
173.02374	1.3
174.05499	8.7
176.07115	1.2
178.04968	0.7
183.09192	0.9
184.07460	0.9
186.05441	5.5
188.07063	2.1
190.04971	51.5
191.05685	2.0
191.07346	0.9
192.06522	1.8
195.09207	0.9
196.09886	1.2
197.10712	1.5
198.11497	1.0
201.10265	1.2
204.06541	35.5
206.08121	8.0
206.09637	1.2
207.09157	4.5
208.09883	5.7
209.10718	1.2
210.07545	1.1
210.11504	1.2
211.08725	1.8
211.12305	3.0
213.10339	0.8
215.07054	1.5
221.06969	0.9
221.10736	2.9
222.07903	1.1
222.11543	2.3
223.12299	8.3
224.09267	1.5
225.10194	3.2
226.10970	3.4
227.11720	1.0
232.05956	1.3
233.10628	1.0
234.09131	2.1
234.11316	1.2
235.08682	3.1
236.09407	9.3
237.10194	2.0
238.11002	2.0
239.11707	1.5
241.09709	0.8
249.10229	3.9
250.10976	5.6
251.11765	15.6
251.14375	0.8
252.08679	8.3
253.09630	1.6
253.13478	0.9
254.10510	1.0
255.11235	1.3
262.08676	0.8
263.08160	2.8
264.08908	8.6
265.09546	1.0
266.10596	0.9
267.11322	1.6
278.10516	7.0
279.11246	49.1
280.11639	0.9
281.09247	1.7
282.09946	0.8
285.12015	0.8
287.10217	1.8
292.08423	1.6
295.10742	2.4
296.11499	2.0
297.12305	8.1
299.10318	3.7
307.10745	55.0
311.10147	0.8
311.13760	0.9
313.11829	4.4
323.10214	9.2
324.11029	1.0
325.11798	23.0
326.12369	0.8
329.10986	3.4
339.13391	6.9
341.11270	7.8
343.12781	3.1
359.12390	4.1
361.13739	1.0
365.11392	1.0
367.12753	6.3
373.13922	6.8
383.12363	5.0
385.13687	2.0
393.10898	3.4
411.11835	100.0
412.12140	2.0
420.11557	2.0
429.12906	27.2
430.18149	1.0
434.17059	0.7
443.14377	1.5
448.18454	2.0
458.17029	1.2
476.18143	25.5
494.19125	10.9
508.20581	2.5
512.19391	1.1
526.21307	1.1
536.20325	2.8
538.18213	2.8
539.37488	1.0
550.21906	2.9
552.19055	1.0
562.17645	4.0
580.19153	54.2
581.19556	1.6
594.20801	2.6
594.35986	1.3
598.20313	6.1
612.21069	1.3
612.35175	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	612.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43540	0.6
51.84611	0.5
53.03940	0.7
55.01871	1.4
55.05513	1.3
56.05031	1.6
60.04551	0.9
61.01144	1.7
61.02910	0.8
65.03930	0.6
67.05496	2.8
69.03416	1.4
69.07063	1.9
70.03130	2.3
70.06593	24.0
71.04977	0.9
71.06902	0.7
72.08154	3.8
74.06067	1.5
79.05490	7.3
80.05015	2.0
81.03409	2.1
81.07046	3.6
82.06604	0.8
83.08602	0.7
84.04510	2.2
84.08146	8.6
85.02901	1.9
86.06066	1.6
86.09708	5.0
91.05479	5.7
93.07039	8.4
94.06564	2.9
95.04971	2.4
95.08601	2.3
96.08128	1.4
97.02898	0.9
97.06521	2.6
98.06027	0.9
98.09695	4.8
103.05463	5.8
105.05769	1.3
105.07023	1.6
107.08612	1.6
108.04449	1.3
108.08135	4.7
109.06498	0.8
109.10152	2.0
110.07133	1.3
110.09688	1.5
116.10722	2.8
118.06907	9.1
119.07301	1.8
119.08610	1.1
120.08108	40.7
121.02833	0.7
121.06509	1.1
121.10137	1.5
122.06005	2.3
123.08064	0.8
124.07553	1.7
126.05531	0.7
127.03887	0.8
127.08656	0.7
129.10243	4.6
130.06525	1.5
132.08043	0.7
135.04353	0.9
135.11713	0.9
136.07562	6.4
137.09573	0.7
138.09129	3.7
144.04492	0.9
145.10098	1.3
146.06015	2.1
147.04362	1.6
148.07571	100.0
149.08038	1.2
149.09468	0.8
159.09206	2.1
159.42601	0.7
160.09656	0.7
162.05527	1.4
163.03886	1.0
163.08958	0.7
165.05490	0.7
166.08621	5.7
167.06993	0.8
168.06610	1.0
172.03902	1.3
173.02408	0.7
173.09471	0.7
174.05501	1.3
177.05450	2.3
183.11420	0.7
190.05072	1.0
196.07297	1.4
196.16960	0.9
197.10815	0.8
199.08684	5.1
199.10318	1.0
200.14032	0.7
204.06548	4.6
206.08119	1.9
208.09755	1.5
210.09149	0.8
211.08673	8.2
212.09320	3.1
213.06572	2.9
213.10278	5.6
223.08604	0.8
224.09375	2.2
225.06601	2.1
225.10226	7.9
226.11020	1.4
227.08269	3.1
227.11856	3.2
229.09720	2.4
237.10294	1.1
239.08186	1.4
239.11784	10.2
240.08922	2.0
240.12589	0.7
241.09753	4.4
241.13477	1.3
242.10555	1.3
245.12897	7.4
249.10129	0.7
251.11903	1.0
252.08664	25.1
253.09702	6.4
254.10506	2.9
255.11292	13.4
257.12820	0.9
265.09671	0.8
267.11279	13.4
268.12015	2.0
269.09146	1.2
269.12936	1.7
270.11105	1.1
273.08701	0.9
273.12384	1.4
274.12122	1.6
279.11340	2.1
281.09137	1.4
283.10782	13.0
285.12335	11.3
287.10379	2.4
295.10767	10.1
297.12256	3.9
299.10352	2.9
301.11829	14.5
303.04892	0.8
307.10776	1.0
311.10211	2.6
313.11816	41.5
314.66827	1.2
323.10242	12.0
329.11307	27.4
330.13016	1.4
339.13547	1.6
341.11292	14.3
347.12439	1.1
355.12833	1.6
360.13120	1.1
361.13937	51.0
368.18332	1.1
373.13956	11.8
402.18170	0.8
411.11835	2.7
416.24222	0.7
420.19214	2.0
430.17822	1.0
448.18701	5.4
449.24896	0.7
458.17374	1.1
476.18170	8.2
480.21411	1.0
490.19470	1.3
492.20749	0.9
494.19348	4.7
508.20718	11.3
514.23694	1.3
518.19141	1.8
526.21729	3.6
534.19727	0.8
536.20367	15.6
538.18103	1.3
550.21899	4.2
552.19672	1.6
562.18042	4.6
568.22510	1.5
580.19202	34.0
594.20636	7.6
594.35559	1.3
612.21930	13.0
612.32898	2.3
638.87024	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	612.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07438	1.0
55.01874	1.4
59.22630	0.9
60.04521	2.0
61.55951	0.9
67.05495	3.3
70.06582	7.4
70.79045	1.2
70.79374	2.6
72.08147	2.5
79.05486	5.5
81.03408	3.6
81.07047	3.9
84.04508	1.6
84.08113	4.1
85.02885	2.9
86.09701	3.0
89.03903	2.7
91.05482	3.7
93.05783	1.6
93.07051	5.6
94.06560	12.1
95.04958	2.3
95.08581	2.6
96.08136	2.1
97.02893	1.8
97.06522	1.8
98.06014	1.9
98.09694	1.7
103.05459	2.5
105.07030	2.0
106.06558	2.5
107.08586	1.9
108.04479	4.4
108.08110	10.1
109.02822	1.1
110.05982	1.3
110.09682	1.7
116.04960	11.4
118.06503	1.3
119.07291	1.6
119.08620	1.1
120.04466	5.7
120.08105	20.8
121.02896	1.2
121.06502	11.7
121.10148	1.1
122.06031	23.9
122.09686	1.2
123.08073	1.4
124.07603	12.5
124.99995	2.0
129.10217	1.4
132.04520	1.3
134.06027	3.1
136.07564	27.0
138.09169	2.9
140.10715	1.6
144.04433	16.3
146.05992	16.9
147.11639	1.4
148.07565	57.1
150.05511	2.4
150.09097	2.4
152.07034	3.9
156.08028	1.1
158.06004	2.2
160.03949	6.1
162.05501	5.6
163.03917	1.8
164.07092	2.7
166.08659	3.2
168.06587	4.7
172.03925	49.3
174.05487	7.4
176.07123	1.5
178.05038	1.4
180.10207	7.5
182.08240	1.8
186.05475	6.3
187.05859	1.8
188.07076	1.2
190.04977	55.8
191.05640	1.6
192.06642	2.6
204.06563	45.3
206.08043	2.7
206.09718	3.4
207.09200	5.0
208.09900	6.0
209.10724	2.5
210.07536	2.6
210.09323	2.0
210.11583	2.1
211.08612	4.7
211.12244	2.0
213.10368	1.4
221.10760	4.8
222.11441	2.8
223.08820	1.2
223.12312	7.8
224.09210	2.1
225.10320	5.7
226.10992	2.6
227.11751	2.5
228.09006	1.3
229.09871	1.3
233.10745	1.9
234.09254	2.4
235.08691	3.2
236.09399	9.8
237.10216	2.5
238.10974	1.4
239.08157	1.9
239.11847	2.6
240.08827	1.9
241.09756	1.6
243.11432	1.8
249.10255	3.7
250.11026	7.0
251.11809	18.1
252.08665	23.0
253.09665	5.4
253.13451	1.4
254.10553	2.1
255.11263	4.8
263.08121	2.7
264.08969	8.5
265.09659	1.8
267.11288	3.9
269.09323	1.2
269.12622	1.2
277.09628	1.3
278.10495	8.2
279.11273	56.2
280.11411	1.3
281.09222	5.1
285.12332	2.6
287.05496	23.5
287.10086	5.2
293.09314	2.1
295.10739	5.8
296.11453	2.0
297.12326	8.8
299.10309	9.7
307.10754	50.2
311.10321	1.8
313.11722	4.3
323.10211	14.4
325.11768	24.3
329.11264	13.7
339.13330	6.9
341.11255	13.8
343.13107	1.6
361.02170	4.3
361.13916	1.4
365.11395	1.6
366.16779	2.2
367.13007	3.9
373.13861	1.9
379.03119	1.2
383.12317	3.3
385.13977	1.7
393.10941	3.2
411.11859	82.1
412.11954	1.9
429.12857	16.9
432.18829	1.2
434.17197	2.5
443.14487	2.9
448.18716	7.3
458.17065	2.6
476.18140	100.0
477.18259	2.7
494.19324	15.4
518.19427	1.3
536.20093	4.5
538.18182	3.8
550.21661	4.8
562.18097	9.9
580.19202	66.7
581.19409	1.6
594.20941	3.3
612.36951	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	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01860	2.9
55.05247	2.1
55.05508	18.8
56.63446	1.6
57.03427	4.9
57.07075	11.7
63.23299	1.6
65.03923	2.0
67.05500	42.4
69.03403	2.8
69.07060	16.0
69.27105	15.1
71.04967	2.9
71.08627	7.0
76.32707	1.4
79.05491	17.3
81.03403	6.8
81.07047	30.5
83.04968	3.6
83.08619	13.0
85.06528	1.6
85.10177	3.4
91.05472	16.8
93.07033	21.3
94.07362	1.3
95.04961	3.0
95.08046	1.8
95.08604	25.3
97.02855	1.8
97.06512	2.7
97.10132	7.1
98.20618	2.4
105.07025	21.1
107.08592	14.7
109.06501	1.8
109.10150	23.0
111.04404	2.1
111.08085	2.3
115.05441	1.8
115.77419	1.4
117.07019	11.3
119.08570	16.6
121.10150	9.4
123.11712	2.0
125.09634	2.2
127.03917	3.9
128.06094	1.7
129.06975	10.2
130.07727	1.8
131.08556	20.4
133.10124	12.5
135.11679	4.9
137.13194	2.2
138.52243	1.4
141.06979	4.1
143.08540	16.1
145.10115	15.1
147.11713	7.7
149.13255	2.8
155.08530	10.1
157.10114	18.2
159.11656	12.7
160.96016	1.3
161.13287	4.3
163.14774	2.4
167.08528	4.4
169.10115	11.5
171.11662	15.9
173.11761	3.4
173.13248	8.0
175.14897	2.1
181.10065	4.6
183.11685	11.3
185.13255	10.0
187.14816	4.8
189.16324	1.9
195.11664	4.3
197.11678	1.5
197.13185	6.7
199.14868	7.4
201.16350	3.2
209.13310	3.8
211.14725	5.1
213.16391	6.0
215.17963	3.3
216.15709	1.5
221.13269	1.5
223.14790	2.5
225.16388	5.9
227.17979	5.2
229.19479	3.3
237.16313	1.7
239.17992	4.6
239.23734	1.6
243.21078	1.9
251.17876	1.6
255.21083	2.8
257.18872	1.4
275.20023	2.1
299.14822	2.9
311.23599	1.7
315.23071	1.5
327.23135	1.8
449.34192	1.7
519.41772	11.8
527.37421	1.6
537.43292	6.9
575.44324	2.1
593.45654	14.0
594.18298	1.6
611.47137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
53.69342	0.9
55.01868	1.9
55.05503	14.7
57.03435	4.7
57.07061	3.3
65.03922	1.8
67.05500	37.6
69.07066	15.0
70.73586	1.8
70.73918	2.2
71.04626	0.9
71.04994	2.9
71.08626	1.4
73.06580	1.0
79.05486	28.0
81.07051	42.0
83.04977	1.9
83.08607	7.8
85.06506	1.4
91.05473	26.7
93.07037	33.4
95.04968	3.6
95.08601	32.7
97.06538	3.4
97.10170	4.1
99.08086	1.5
105.04513	1.1
105.07026	29.9
107.08586	19.1
107.09281	1.4
109.06545	1.1
109.10146	14.0
110.46317	0.9
111.08067	1.7
117.07008	14.0
119.08569	26.9
121.10136	16.4
123.08080	1.6
123.11736	5.5
125.09622	1.7
125.20793	1.0
128.06204	1.8
129.06993	10.5
131.08560	21.6
133.10130	21.7
135.08005	1.0
135.11690	8.0
137.09572	1.2
137.13251	1.4
141.06972	2.3
142.07822	2.4
143.08548	12.4
145.10121	20.9
147.11668	17.0
149.09729	1.0
149.13245	7.1
151.11238	1.5
155.08597	3.5
157.10112	11.2
159.11679	16.0
161.13240	11.6
163.14815	3.6
167.08551	1.7
168.09422	1.0
169.10138	6.6
171.11649	11.2
173.13255	11.4
175.14819	4.3
177.16515	1.5
181.10175	2.2
183.11681	7.9
185.13217	6.7
187.14778	6.6
189.16386	3.0
195.11748	2.2
197.13280	4.2
199.14844	7.2
201.16397	3.8
203.18152	1.2
207.11673	1.2
209.13329	2.5
211.14806	3.7
213.16414	4.0
215.14226	1.1
215.17964	2.5
217.19554	1.0
223.14810	1.3
225.16420	2.3
227.18021	1.4
229.19592	1.8
231.21120	2.4
237.16490	1.4
239.17989	1.9
241.19606	7.8
243.21049	1.9
257.19003	3.5
259.20569	16.3
261.22189	3.9
271.20627	1.2
275.19995	1.4
277.21527	1.6
282.07257	1.2
283.20401	1.3
315.23438	1.8
333.24240	9.9
335.25790	17.6
337.27429	2.2
339.26846	1.4
387.28723	1.0
477.42792	1.1
519.42151	7.1
529.39423	1.2
537.42804	3.7
541.38513	1.2
565.91632	1.3
569.42712	1.1
579.16656	1.1
593.45599	9.3
611.46680	100.0
612.47168	2.3
617.62274	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	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
53.69342	0.9
55.01868	1.9
55.05503	14.7
57.03435	4.7
57.07061	3.3
65.03922	1.8
67.05500	37.6
69.07066	15.0
70.73586	1.8
70.73918	2.2
71.04626	0.9
71.04994	2.9
71.08626	1.4
73.06580	1.0
79.05486	28.0
81.07051	42.0
83.04977	1.9
83.08607	7.8
85.06506	1.4
91.05473	26.7
93.07037	33.4
95.04968	3.6
95.08601	32.7
97.06538	3.4
97.10170	4.1
99.08086	1.5
105.04513	1.1
105.07026	29.9
107.08586	19.1
107.09281	1.4
109.06545	1.1
109.10146	14.0
110.46317	0.9
111.08067	1.7
117.07008	14.0
119.08569	26.9
121.10136	16.4
123.08080	1.6
123.11736	5.5
125.09622	1.7
125.20793	1.0
128.06204	1.8
129.06993	10.5
131.08560	21.6
133.10130	21.7
135.08005	1.0
135.11690	8.0
137.09572	1.2
137.13251	1.4
141.06972	2.3
142.07822	2.4
143.08548	12.4
145.10121	20.9
147.11668	17.0
149.09729	1.0
149.13245	7.1
151.11238	1.5
155.08597	3.5
157.10112	11.2
159.11679	16.0
161.13240	11.6
163.14815	3.6
167.08551	1.7
168.09422	1.0
169.10138	6.6
171.11649	11.2
173.13255	11.4
175.14819	4.3
177.16515	1.5
181.10175	2.2
183.11681	7.9
185.13217	6.7
187.14778	6.6
189.16386	3.0
195.11748	2.2
197.13280	4.2
199.14844	7.2
201.16397	3.8
203.18152	1.2
207.11673	1.2
209.13329	2.5
211.14806	3.7
213.16414	4.0
215.14226	1.1
215.17964	2.5
217.19554	1.0
223.14810	1.3
225.16420	2.3
227.18021	1.4
229.19592	1.8
231.21120	2.4
237.16490	1.4
239.17989	1.9
241.19606	7.8
243.21049	1.9
257.19003	3.5
259.20569	16.3
261.22189	3.9
271.20627	1.2
275.19995	1.4
277.21527	1.6
282.07257	1.2
283.20401	1.3
315.23438	1.8
333.24240	9.9
335.25790	17.6
337.27429	2.2
339.26846	1.4
387.28723	1.0
477.42792	1.1
519.42151	7.1
529.39423	1.2
537.42804	3.7
541.38513	1.2
565.91632	1.3
569.42712	1.1
579.16656	1.1
593.45599	9.3
611.46680	100.0
612.47168	2.3
617.62274	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	611.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.1
55.05509	23.6
56.93605	2.0
57.03422	2.7
57.07072	43.3
59.04985	2.7
61.15121	1.5
65.03932	3.0
67.05502	82.5
69.03429	27.5
69.07063	9.3
69.92490	7.5
71.04980	7.1
71.08627	29.4
79.05510	10.3
80.16728	1.7
81.03416	44.3
81.07053	37.6
83.04980	9.8
83.08602	17.7
85.02884	5.7
85.06541	2.7
85.10186	13.9
91.05479	11.5
93.07014	7.9
95.04959	2.3
95.08601	33.1
97.02889	10.6
97.06511	2.3
97.10154	11.9
99.04424	4.6
105.06969	5.2
107.08619	8.5
109.02866	7.7
109.10152	62.3
111.04430	13.5
111.08074	2.7
117.07011	1.8
119.08552	7.6
121.10134	2.7
123.11703	5.0
125.09581	6.2
127.03934	16.4
131.08496	2.1
133.10089	4.4
135.11664	3.5
137.05890	1.6
137.09563	4.8
137.48148	1.5
143.08487	2.2
145.10080	2.9
155.10663	1.9
164.72592	1.7
171.11690	2.4
173.04419	2.4
173.11737	17.3
181.10002	1.9
189.11226	8.4
209.11752	2.3
227.12849	2.3
229.14246	1.9
235.36169	1.5
239.23628	12.8
281.13599	1.8
299.14886	16.8
313.27371	4.5
354.07245	1.7
355.17422	12.8
371.90292	1.6
372.68298	2.1
383.27927	5.0
467.37262	9.4
483.36890	1.7
611.41174	100.0
612.41150	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	611.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
55.05495	2.3
56.96567	1.2
57.03412	1.0
67.05493	3.0
69.03432	2.5
69.07062	4.4
69.60682	1.7
69.61076	5.5
70.06592	5.0
71.04990	0.8
72.08152	2.7
79.05491	3.1
81.03422	2.3
81.07053	8.1
83.08611	1.4
84.04494	1.3
84.08150	2.7
85.02903	3.1
85.06540	1.2
86.09686	2.2
91.03959	0.7
91.05468	4.9
91.85152	0.7
93.07041	4.4
95.04976	2.3
95.08598	4.1
97.02894	2.5
97.06560	3.8
98.21500	1.0
99.04491	1.1
99.08119	1.1
105.07029	3.3
107.08595	3.4
108.08134	1.2
109.02945	0.9
109.06509	0.8
109.10147	4.2
111.08048	1.8
115.03925	0.9
119.04964	2.4
119.08590	2.1
120.04469	0.8
120.08107	2.7
121.06511	1.5
121.10135	2.8
123.11715	2.0
125.06001	0.9
125.09590	1.1
127.03918	1.7
129.10211	1.1
131.08553	1.3
133.10150	1.8
134.06018	1.3
135.11685	1.2
136.07576	2.8
137.06049	1.6
137.09605	1.4
137.13252	1.6
145.10155	1.1
146.06009	2.6
147.04404	6.8
147.06311	1.1
147.11638	0.9
148.07539	5.6
149.07915	2.3
149.13287	1.6
153.12599	0.9
157.10062	0.9
163.03949	1.6
163.11188	1.1
166.08739	1.1
169.04683	1.7
185.04311	1.1
203.05399	3.0
205.19473	0.8
215.07059	1.3
223.20569	0.8
227.05360	1.5
229.03230	0.9
239.11902	1.3
241.13586	0.8
243.04848	1.6
245.06352	11.6
252.08777	1.5
253.09180	1.0
255.11302	1.1
259.09717	1.4
271.04373	1.5
275.18524	1.1
285.12543	1.3
287.03482	1.6
289.05264	17.4
291.26770	0.9
303.05048	2.1
308.74203	0.8
309.27979	1.8
316.10278	0.9
327.23141	4.7
345.23886	14.0
347.25565	1.8
363.25076	6.0
386.14392	1.4
391.11758	0.9
391.64642	0.9
419.12210	2.0
489.28311	2.3
507.29340	8.0
523.25238	4.2
523.32086	0.9
525.30591	4.6
531.29498	3.5
549.30322	21.1
567.31366	18.1
575.28339	18.4
593.29327	100.0
594.29694	2.7
611.30408	91.5
612.30890	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Cyanin
Peak:m/z	Relative Intensity
55.01835	0.2
57.03426	0.3
61.02924	3.8
65.03950	0.1
68.99479	0.1
68.99799	0.4
69.03418	0.8
69.67782	0.6
69.75288	0.1
70.06586	0.6
71.04993	0.1
72.08140	0.1
73.02910	0.8
81.03397	0.4
84.04488	0.2
84.08117	0.3
85.02901	3.6
86.09687	0.2
91.03387	0.2
91.03947	2.1
92.07580	0.1
95.04953	0.2
97.02886	2.1
98.20828	0.2
99.04418	0.2
103.05466	0.1
105.03376	0.2
107.04935	0.2
109.02874	0.2
110.07157	0.2
111.00809	0.5
111.04479	0.1
115.03916	0.2
119.04942	0.1
120.08083	0.1
121.02864	2.1
127.03169	0.1
127.03931	0.8
129.10194	0.1
130.04990	0.4
131.32323	0.1
133.02843	0.3
135.04404	0.1
137.02345	0.5
141.10246	0.1
145.04959	0.5
145.06436	0.1
147.04375	0.8
147.07646	0.4
153.01823	2.6
157.06435	0.2
161.05975	0.1
163.04030	0.1
165.01826	1.3
171.02983	0.1
171.04335	0.2
183.01372	0.1
183.02853	0.6
185.05922	0.4
189.05472	0.1
193.12224	0.2
197.05989	0.1
203.07034	0.1
213.05467	1.3
217.05017	0.1
229.04988	0.2
231.06499	0.7
241.04962	0.7
258.05261	0.8
259.05945	0.2
260.89780	0.1
269.04355	0.1
287.05478	100.0
288.05789	1.1
299.05472	0.1
329.06570	0.2
353.06616	0.2
366.59500	0.1
395.07556	0.1
434.05463	0.1
449.10782	7.0
449.63037	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	611.1599
Annotation	Quercetin 3-galactosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.03946	0.6
55.01851	0.5
57.03424	1.8
61.02917	3.6
62.22983	0.5
62.43719	0.4
62.86352	0.6
68.04224	0.4
68.99775	0.7
69.03430	2.3
69.57283	0.5
70.00379	0.5
70.06574	0.6
70.21062	1.4
71.04987	11.0
73.02905	1.3
75.04457	0.6
81.03397	0.9
85.02900	19.8
91.03935	2.7
97.02867	2.7
98.20773	0.5
106.62699	0.5
109.02843	0.9
111.00803	0.5
111.04482	0.5
121.02863	1.9
124.26624	0.5
127.03922	1.6
129.05457	4.3
137.02324	3.5
145.03923	0.6
145.04955	2.2
147.06496	1.7
153.01802	3.7
163.05927	0.6
165.01849	2.2
183.02882	1.2
201.05460	1.2
213.05490	1.4
224.59355	0.5
229.04938	2.8
241.04871	0.6
247.05972	0.5
257.04449	1.9
285.04117	0.7
287.05475	46.8
299.05481	2.1
303.04968	100.0
304.05243	1.2
311.05276	0.5
329.06738	3.2
345.06155	0.9
353.06528	2.4
413.08908	0.6
431.09570	0.7
449.10788	2.1
465.10178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Rutine
Peak:m/z	Relative Intensity
50.51820	0.1
55.01845	0.2
55.05501	0.2
57.03434	2.3
61.02924	1.9
65.03931	0.2
68.99780	0.5
69.03416	0.5
69.82562	0.2
69.82865	0.9
71.04988	11.4
72.92898	0.1
73.02920	0.8
75.04462	0.6
76.85869	0.2
81.03395	0.6
83.04979	0.7
85.02898	14.6
87.04444	0.3
91.03954	0.9
93.03371	0.2
95.04967	0.3
95.49676	0.1
97.02884	0.8
99.04442	0.3
103.03928	0.2
109.02847	0.5
111.00834	0.9
111.04426	0.5
121.02833	0.9
123.04400	0.3
127.03896	0.7
129.05466	3.7
137.02335	3.2
137.26544	0.2
145.04961	0.4
145.06403	0.1
147.06491	1.2
149.02345	0.5
150.86343	0.1
151.03883	0.2
153.01813	3.8
155.04863	0.3
161.05988	0.2
162.41484	0.1
163.03894	0.5
165.01833	2.0
166.02592	0.3
173.06041	0.3
177.01851	0.2
183.02899	0.8
183.04323	0.2
187.03923	0.3
191.03319	0.2
195.02769	0.2
201.05443	1.5
205.04974	0.3
219.02907	0.2
219.06563	0.2
222.20242	0.2
229.02843	0.3
229.04961	4.3
239.03398	0.2
247.06067	0.8
248.17226	0.1
257.04462	3.0
274.04578	0.7
275.05524	0.3
285.03888	1.6
303.04965	100.0
304.05280	1.6
315.04962	0.3
345.06036	0.6
369.06067	0.3
431.81445	0.2
449.10461	0.4
465.10455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1394
Annotation	Helichrysoside
Peak:m/z	Relative Intensity
55.01863	0.3
55.05497	0.5
60.04518	0.4
65.03933	1.1
67.05481	0.8
69.03407	0.5
69.07049	0.7
69.28584	1.1
69.29018	1.0
70.06593	1.7
71.04987	0.2
72.08141	0.8
73.02911	0.2
74.06070	0.2
76.47969	0.2
79.05488	0.7
81.03410	0.8
81.07043	1.3
82.07380	0.2
83.04980	0.2
84.04480	0.4
84.08129	0.9
85.02908	0.7
85.06554	0.9
86.09689	0.6
91.05471	8.9
93.03419	0.2
93.07024	0.6
95.04950	0.6
95.08608	1.2
97.02875	0.5
97.06514	0.7
98.20702	0.4
99.08076	0.2
103.05480	0.3
103.94614	0.2
105.07024	0.5
107.04922	0.2
107.08578	0.6
108.08109	0.2
109.02883	0.5
109.10158	0.8
110.07117	0.3
111.00735	0.4
111.08060	0.3
118.10992	0.3
119.04934	21.6
120.08075	0.4
121.02852	1.4
121.10136	0.3
123.08053	0.3
123.11660	0.4
125.09673	0.2
127.03905	0.4
129.10246	0.3
133.10144	0.3
133.84386	0.2
134.49448	0.2
136.07587	0.4
137.02319	1.8
137.05948	0.5
137.09581	0.4
140.10684	0.4
146.06027	0.2
147.04393	100.0
148.04678	0.4
148.07594	0.4
153.01839	1.7
161.06105	0.2
163.03920	0.7
165.01828	0.7
165.05521	0.4
173.02377	0.3
173.06024	0.3
179.03247	0.3
183.02852	0.4
187.07550	0.3
191.03323	0.2
201.05518	0.8
229.04938	2.2
231.06691	0.2
247.05997	0.3
257.04495	1.2
274.04709	0.5
285.03891	0.6
291.08618	0.5
303.04962	42.9
309.09665	4.8
345.05984	0.5
391.11707	0.4
411.06686	0.2
419.11374	0.7
556.38129	0.2
611.23450	0.3
611.34125	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	610.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01857	4.7
55.05503	11.1
56.05040	6.2
57.03422	4.9
60.04521	66.5
61.02921	2.1
65.03948	1.4
67.05497	34.8
69.03428	5.9
69.07051	13.9
69.26336	9.9
69.26763	4.8
70.06580	14.5
71.04987	16.1
72.04492	1.9
72.08154	3.5
74.06075	5.6
79.05489	30.5
80.05009	6.0
81.03417	18.8
81.07049	51.4
82.06579	3.6
83.04977	4.6
83.08609	6.0
84.04490	3.9
84.08138	5.9
85.02897	7.8
85.06529	9.9
85.98996	1.3
86.06056	2.2
86.09705	7.5
88.07617	1.4
91.05465	19.3
93.05779	1.6
93.07035	39.2
94.06559	11.3
95.04970	15.2
95.08598	49.9
96.08119	4.1
96.08926	1.5
97.02887	4.0
97.06532	17.8
97.10179	2.0
98.06059	5.9
98.09672	4.0
99.04441	2.5
99.08086	7.4
103.05458	5.8
105.07020	16.6
107.04934	1.9
107.07388	1.8
107.08588	15.1
108.08123	5.8
109.02884	1.8
109.06499	3.4
109.10162	9.0
110.07148	1.6
110.09664	6.2
111.08086	8.7
117.07011	3.8
119.04920	2.7
119.08572	8.1
120.08099	16.1
121.02885	1.8
121.06485	3.0
121.08484	1.5
121.10126	15.5
122.06042	1.8
122.09647	14.4
123.08064	35.5
123.11674	2.6
125.09628	1.5
126.09135	2.3
127.03856	3.3
128.10693	13.9
129.07004	1.9
129.10213	2.7
131.08551	7.6
133.10147	6.8
134.05931	1.5
135.08057	2.2
135.11668	6.7
136.07584	10.0
137.05972	3.1
138.09119	3.0
140.10690	100.0
141.09088	11.4
145.02864	1.6
145.10124	8.3
147.04427	4.0
147.11661	4.1
148.07553	48.4
149.07912	2.9
149.09569	2.7
149.13281	3.0
151.11200	2.0
152.07126	1.6
154.08574	6.3
157.10089	2.0
158.11763	15.9
159.11676	3.3
161.13272	3.4
163.03902	1.7
164.07040	3.1
166.05008	1.7
166.08560	3.0
167.07162	1.6
171.11633	2.4
172.09715	2.2
173.05786	1.6
173.13231	2.5
175.14830	2.7
176.12799	12.0
185.13316	2.5
187.03920	1.8
194.14001	1.8
199.08829	1.3
199.14783	2.3
208.09584	1.8
215.07028	3.3
223.08499	2.2
225.10184	2.4
227.08243	1.7
237.10258	9.9
238.10866	3.7
239.08170	4.0
239.11678	1.7
241.09656	3.0
251.08241	3.1
252.08672	13.8
253.09691	5.8
255.11456	2.7
265.09717	14.3
266.10342	2.2
267.11295	4.0
279.10892	1.9
281.09128	7.6
283.10791	4.1
287.05441	3.9
293.09219	10.5
294.09628	2.4
295.10745	7.5
299.10471	1.5
299.23761	3.7
311.10248	10.0
315.13123	1.4
317.24731	7.2
321.08640	5.8
327.09781	9.1
327.13141	1.9
335.25876	1.5
339.09738	25.0
340.10007	2.4
341.11237	2.8
344.14063	1.7
345.23770	1.4
353.11292	3.8
358.15405	2.0
359.12280	6.9
361.02255	5.0
362.26718	1.5
371.12210	15.1
372.13025	2.1
379.03351	2.5
380.28040	1.9
385.13922	1.7
398.29074	2.9
400.16995	1.7
418.17355	1.9
419.11374	2.2
446.17334	2.6
450.66058	1.5
474.16623	13.1
476.37076	2.1
478.19482	2.7
478.35492	1.5
484.34433	2.0
488.17889	1.8
492.17773	2.3
494.38641	6.7
502.35208	6.8
506.19064	6.0
520.36078	22.9
524.20465	2.0
534.18652	5.3
535.17969	1.4
538.37299	73.1
539.37555	3.5
556.38373	98.7
557.38416	3.8
566.21063	5.8
574.39484	53.0
575.39551	2.2
578.17743	17.9
579.17920	2.2
592.40594	23.6
611.22021	1.6
618.30103	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	610.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
55.05501	2.2
61.02911	1.4
65.03925	1.5
67.05499	4.8
69.03422	1.9
69.07065	2.8
70.06583	7.2
71.04974	1.4
71.61372	1.5
72.08139	2.1
73.02895	1.0
79.05487	7.5
80.05000	2.5
81.03419	3.1
81.07070	5.9
83.04987	2.3
84.08145	3.4
85.02895	3.8
86.06067	1.9
86.09691	3.6
89.03974	1.1
91.03923	1.2
91.05450	6.8
93.03416	1.8
93.05780	1.1
93.07047	7.0
94.06561	8.9
95.04971	3.7
95.08598	2.7
96.08127	1.4
97.02888	3.1
97.06524	4.4
98.09715	1.1
103.05458	6.8
105.05817	1.6
105.07014	4.2
106.06581	1.7
107.07299	1.4
107.08591	2.0
108.04482	2.7
108.08115	10.4
109.02882	1.4
109.06519	1.4
109.10165	2.8
110.06082	1.6
110.07148	1.5
116.04966	1.5
116.10691	1.1
117.06999	1.4
118.06567	4.0
119.07305	1.5
119.08587	2.5
120.04447	10.1
120.08098	35.6
121.06509	1.8
121.10104	2.2
122.06059	7.6
122.09692	1.3
124.07584	2.9
127.03858	1.6
129.06985	1.1
129.10251	1.6
131.08607	1.4
132.08083	1.4
133.10143	1.8
134.06020	8.1
135.11678	1.0
136.07574	15.9
136.10922	1.1
137.05946	1.3
137.13243	1.1
138.05510	6.3
138.09109	2.8
143.07156	1.1
143.08501	1.4
144.04465	1.7
144.08150	1.6
145.02904	1.1
145.10095	2.0
146.06000	48.2
147.04393	2.8
148.07564	100.0
150.05460	2.0
150.09148	2.5
152.07076	3.5
153.12721	1.0
157.10059	1.2
159.11694	1.9
160.07614	2.2
162.09070	1.6
163.03874	2.6
163.11130	1.7
164.07022	5.2
166.05023	3.2
166.08643	9.9
172.03922	11.6
183.09198	1.5
184.09932	1.4
188.07057	1.5
190.04994	13.6
192.06628	2.6
194.09647	2.7
195.09016	1.5
196.09879	2.4
197.10736	5.3
198.11450	3.3
201.10175	1.0
207.09016	1.2
208.09636	1.9
208.11427	1.2
209.10655	2.5
210.09227	1.0
210.11510	1.9
211.08690	2.5
211.12317	4.8
212.09381	1.9
213.10326	1.4
222.09235	2.4
222.11386	2.1
223.12395	1.7
224.09201	5.1
225.10208	7.5
225.13771	2.0
226.10899	5.7
227.11784	5.8
229.09792	1.4
233.11812	1.4
234.07474	5.7
235.08725	1.5
236.09288	1.2
237.10210	10.8
238.10994	4.1
239.08102	2.0
239.11775	18.7
240.12508	1.4
241.09663	3.8
241.13351	2.3
245.12906	1.2
249.10304	2.2
251.12013	3.8
252.08649	46.2
252.12657	2.3
253.09752	5.6
253.13310	8.6
255.11285	7.7
255.14902	1.6
257.12802	1.9
259.09641	3.1
262.22864	1.0
265.09692	10.9
266.10403	2.4
267.11273	10.6
269.12790	1.9
270.11301	2.2
271.14319	1.0
273.12265	3.2
278.06564	3.8
278.10538	1.6
279.11285	8.7
280.08636	1.6
281.12823	14.6
283.10767	3.9
283.13998	1.3
285.12381	3.9
287.14069	1.3
293.09207	6.9
294.09930	1.7
297.12320	5.2
299.10519	2.0
299.13873	10.8
301.11761	1.1
307.10739	5.4
308.26913	1.1
309.12231	5.3
311.10095	1.9
312.10980	2.3
313.11893	2.5
315.13419	10.9
323.10162	1.3
325.11908	5.9
327.09793	2.0
327.13339	28.0
333.14297	1.7
335.10263	3.5
339.09613	1.8
341.11292	6.4
341.15042	2.8
353.11246	4.9
359.12509	6.7
363.95328	1.1
367.12857	1.6
385.13928	34.1
411.11887	4.4
416.19611	3.2
429.12759	1.5
434.20776	5.7
444.18939	2.4
460.18692	5.6
462.20407	7.4
478.19650	1.8
480.21274	3.2
488.18222	16.9
504.21182	1.4
506.19193	5.1
507.19775	1.2
520.20239	1.7
524.20172	2.3
538.21729	2.5
548.20050	7.3
551.19214	2.8
564.20129	2.0
566.21313	6.6
592.19189	14.2
592.27856	2.1
610.30084	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	610.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.2
56.05029	2.7
60.04517	40.7
61.02915	3.3
65.61045	2.3
67.05495	24.3
69.03426	4.8
69.07046	10.1
69.43893	14.9
69.44305	4.0
70.06583	20.7
71.04990	10.7
72.08154	6.0
73.38685	2.2
74.06083	2.3
79.05487	28.5
80.05006	3.0
81.03408	16.5
81.07052	33.8
82.06572	2.4
83.04984	3.9
83.08609	4.1
84.04491	3.6
84.08131	9.9
85.02890	6.4
85.06518	8.6
86.09681	12.9
91.05447	18.1
93.07031	30.7
94.06561	10.4
95.04945	9.1
95.08591	31.5
96.08107	4.6
97.02898	2.6
97.06521	8.5
98.06066	3.0
98.09666	2.5
99.08089	5.4
103.05435	7.7
105.07018	15.9
107.08590	6.1
108.08096	11.3
109.06524	3.4
109.10131	7.9
110.07156	3.5
110.09710	2.9
111.04452	2.7
111.08094	5.2
115.42136	2.6
117.07027	3.1
118.06536	3.5
119.08556	7.2
119.12707	2.2
120.08092	38.3
121.06492	2.7
121.10149	7.4
122.06030	5.2
122.09663	8.4
122.23955	2.1
123.08038	20.6
123.11681	4.1
127.03852	2.1
128.10687	8.5
129.10234	6.1
131.08583	5.2
133.10144	6.5
135.11670	8.4
136.07565	20.0
137.05977	3.3
138.09120	3.5
140.10681	62.7
141.09064	7.0
145.10095	4.9
146.05966	4.0
147.11673	4.2
148.07562	100.0
149.09616	3.2
150.09174	2.5
154.08604	5.0
158.11743	10.4
161.13223	2.5
164.07056	5.6
166.08635	7.4
175.14784	2.7
176.12840	9.3
181.51030	2.3
211.08694	4.6
211.12154	2.9
223.08633	5.1
224.09369	2.5
227.08183	2.8
237.10207	19.6
238.07256	3.6
239.08142	6.1
239.11916	3.5
241.09703	4.1
251.08138	6.8
252.08690	24.0
253.09767	10.8
255.11325	3.5
265.09711	31.0
266.10410	4.2
267.07794	3.6
267.11215	8.3
281.09235	13.4
281.12079	3.0
283.10754	9.4
287.05438	4.2
287.10364	3.2
287.13562	2.6
293.09192	25.5
295.10754	16.0
299.09988	3.6
309.08517	2.3
311.10104	17.3
316.13971	2.5
317.24600	2.7
321.08591	16.6
325.11826	2.9
327.09750	14.6
339.09756	56.5
339.13785	3.8
341.11243	6.1
353.11292	4.7
359.12244	19.9
361.02060	12.7
371.12384	38.9
400.16531	3.8
418.18259	2.8
428.15857	3.2
446.17303	13.9
468.32874	2.3
472.34412	2.5
474.16476	16.9
476.37137	3.1
488.18005	4.5
492.17529	9.6
494.38251	4.5
502.35388	5.2
506.18997	13.5
520.36102	17.0
524.19714	3.7
532.16742	3.2
534.18945	16.9
538.37299	44.0
550.18231	6.7
556.38397	62.6
560.16266	3.9
566.21198	9.0
574.39484	35.7
578.17596	36.7
592.40833	13.6
610.20343	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	610.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.7
55.01857	1.1
55.05498	2.4
55.05742	0.8
57.07064	0.9
60.04511	2.9
61.01141	1.6
65.03943	2.2
67.05495	6.1
69.03414	2.8
69.07054	3.3
70.06584	17.2
70.91174	0.9
71.04995	1.3
71.06902	1.9
71.60097	1.1
72.08136	2.4
79.05482	9.9
80.05006	2.0
81.03398	3.7
81.07045	7.5
82.06573	1.7
82.07362	0.8
83.04989	2.2
83.08608	1.1
84.04486	1.5
84.08150	4.1
85.02888	2.8
85.06528	1.9
86.09677	2.4
87.00836	0.9
91.05467	7.7
93.03395	1.1
93.05764	1.1
93.07027	10.3
94.06547	7.3
95.04965	4.8
95.08586	6.2
96.05273	1.2
96.08144	1.5
97.02859	5.3
97.06531	3.8
97.10149	0.8
98.06081	1.0
103.05447	6.2
105.05762	1.6
105.07018	3.1
106.06532	1.2
107.04954	2.2
107.08564	3.7
108.04470	1.7
108.08099	8.9
108.08793	1.3
109.02843	0.8
109.06499	1.1
109.10167	3.7
110.06017	2.0
110.07138	0.9
110.09658	2.9
110.10427	0.8
111.08061	1.1
113.05989	0.8
116.04944	1.4
117.06994	1.0
118.06909	5.8
119.04938	6.0
119.07267	3.9
119.08597	2.3
120.04462	7.0
120.06418	1.4
120.08092	38.1
121.06488	1.2
121.10133	2.1
122.06017	5.7
122.09663	1.9
123.08040	1.5
123.11716	1.4
124.03936	1.8
124.07558	2.1
124.12027	0.8
127.03895	2.0
129.10211	1.9
130.08604	1.0
131.08504	1.6
132.08092	1.0
133.10120	1.5
134.05997	4.9
135.11703	1.7
136.07570	16.9
137.06024	1.0
137.09619	1.4
138.05486	4.2
138.09125	3.3
140.10692	1.7
144.04413	1.4
145.10106	1.0
146.05991	32.0
147.04395	21.5
147.05281	0.5
148.07558	100.0
149.13239	1.5
150.05481	0.8
150.09081	1.7
152.07016	2.0
153.01807	1.0
154.08612	1.3
156.08170	0.9
159.09167	2.0
160.07544	2.2
162.05472	3.0
163.03853	1.2
163.08984	1.2
164.07030	5.7
165.09129	1.4
166.05016	1.8
166.08638	9.5
172.03911	7.5
174.05475	1.1
175.14813	1.2
177.05461	1.6
183.09163	1.0
183.11414	0.9
184.09911	1.0
190.04958	7.9
192.06522	1.8
193.08643	0.9
194.09531	1.5
196.09926	1.9
197.10706	3.5
198.11482	1.5
199.12286	1.4
206.08156	2.0
208.09625	1.1
209.10727	2.7
210.11430	1.6
211.08630	3.0
211.12233	4.5
212.09413	1.8
212.12982	1.0
213.10213	2.0
213.13727	0.8
219.09035	1.0
221.10762	1.1
222.09193	1.6
222.11453	1.3
223.08664	2.4
223.12097	0.9
224.09200	4.6
225.10187	8.5
225.13850	2.1
226.10973	3.3
227.08234	0.9
227.11809	3.0
234.07463	4.1
235.08698	1.3
236.10818	1.3
237.10208	12.8
238.10968	2.8
239.08136	4.2
239.11763	12.0
240.08932	0.9
240.12566	1.0
241.09709	3.4
241.13324	1.3
245.12872	1.7
247.08549	0.8
248.09694	1.1
249.10175	1.9
250.07172	1.2
251.08121	2.7
251.11746	2.8
252.08665	36.3
252.12556	1.9
253.09648	7.3
253.13344	6.3
254.10472	1.2
255.11316	7.0
259.09625	1.6
263.11771	1.1
264.08917	1.2
265.09698	21.9
265.12683	1.3
266.10413	3.0
267.07593	1.2
267.11276	9.3
269.09140	1.4
271.14285	1.4
273.12286	2.1
274.12323	1.0
278.06638	2.7
279.08499	1.1
279.11172	4.6
281.09186	9.4
281.12805	10.7
283.10757	7.2
285.12305	1.8
287.10251	1.7
287.13828	1.4
293.09180	14.4
294.09821	1.5
295.10751	6.3
296.11484	1.4
297.12378	4.7
297.15417	0.8
298.13110	1.2
299.10553	1.6
299.13913	6.7
301.11926	0.9
303.04974	12.5
307.10754	2.7
309.08875	1.0
309.12347	2.1
311.10205	9.1
312.10873	1.5
313.11887	2.2
315.09964	1.6
315.13339	8.8
321.08685	4.2
325.11771	3.7
327.09686	6.3
327.13373	17.1
329.15387	1.1
330.15955	1.6
333.14371	2.2
335.10190	3.6
339.09720	19.0
339.13348	0.8
341.11234	5.0
341.15018	2.3
344.14038	1.1
351.21045	0.8
353.11169	6.6
359.12289	10.4
366.77359	0.9
367.12665	1.7
371.12296	13.4
372.17096	1.2
374.18768	1.0
385.13925	24.2
386.14471	1.4
392.19547	0.9
400.16446	2.7
411.11771	2.6
416.19696	1.3
418.17685	2.1
419.11142	1.1
428.16177	1.2
434.20517	2.6
444.19156	2.1
446.16968	3.1
449.08655	0.9
458.25897	0.7
460.18588	3.3
462.20328	6.2
464.18112	1.0
474.16650	6.9
478.19769	1.3
480.21390	1.6
488.18143	12.6
492.17581	2.6
500.24496	0.8
506.19153	7.5
524.19928	3.1
534.18726	5.2
538.21741	2.3
538.37213	1.2
548.20044	4.4
550.18097	3.4
556.38843	2.6
560.16760	1.3
564.19714	1.3
566.21265	9.3
574.17828	1.1
574.38678	1.1
578.17615	17.6
592.10669	0.9
592.19250	10.4
592.40338	0.9
610.20581	4.0
610.29218	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	610.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59040	0.8
55.01869	1.3
55.05501	1.9
56.05033	1.5
56.07158	0.7
57.03432	1.7
60.04521	13.9
65.03941	2.3
66.03463	1.2
67.05500	9.9
69.03420	1.7
69.07075	4.3
69.40223	4.1
69.40647	2.7
70.06590	7.9
71.04987	3.2
72.08149	2.2
74.06060	1.1
77.03939	0.8
79.05493	11.7
80.05019	2.6
81.03406	4.9
81.07055	9.9
82.06558	1.8
83.08631	1.4
84.04498	1.3
84.08137	2.2
85.02892	4.0
85.06547	1.7
86.09742	4.0
86.10196	0.9
87.00849	1.2
91.05460	8.5
92.05023	1.4
93.03395	1.8
93.05785	1.1
93.07039	11.5
94.06557	10.2
95.04980	4.2
95.08601	10.1
96.08147	2.5
97.02901	2.6
97.06508	3.2
98.06023	0.9
98.20705	1.4
99.08103	1.5
102.05612	1.1
103.05455	5.2
105.05758	1.4
105.07027	4.9
106.06542	1.3
107.04943	1.1
107.07314	1.1
107.08592	3.5
108.04462	3.2
108.08112	10.0
109.06576	1.2
109.10146	2.0
110.06038	1.1
110.09677	2.5
110.88044	0.8
111.08105	2.3
113.02396	1.2
114.09185	1.1
116.04967	2.2
118.05819	1.1
118.06535	5.4
119.07330	2.4
119.08588	2.8
120.04452	11.0
120.08102	35.9
121.06468	1.0
121.10162	3.7
122.06008	7.3
122.09646	4.9
123.08057	8.1
124.07595	2.4
126.09126	1.5
127.03882	1.9
128.10739	3.1
131.08568	1.8
132.08102	1.3
133.10138	2.7
134.06009	6.6
135.11674	2.4
136.07568	19.6
137.05989	2.0
138.05473	6.2
138.09132	3.4
140.09692	1.5
140.10693	18.6
140.11691	1.4
141.09064	2.4
144.04471	3.1
145.10135	1.2
146.06001	49.1
147.04434	1.9
147.11682	1.1
148.07565	100.0
149.08031	0.8
149.13216	1.0
150.05492	1.1
150.09157	1.6
152.07106	2.9
154.08655	1.8
157.10132	1.1
158.11769	3.4
159.11662	1.3
160.07530	2.0
161.13281	1.2
162.05481	1.6
162.09103	1.5
164.07037	6.1
166.05060	1.9
166.08626	11.8
172.03931	11.3
172.09694	0.9
174.05524	2.2
175.11276	0.8
175.14774	0.9
176.12839	3.1
180.06450	0.8
182.09703	1.3
183.09169	1.3
184.09860	1.4
188.07150	1.1
190.04970	14.0
192.06554	3.5
194.09706	2.2
196.09883	1.9
197.10713	5.8
198.11472	2.3
199.12320	1.1
206.08102	2.2
208.09625	2.3
209.10750	2.8
210.09175	1.0
210.11456	2.3
211.08672	2.6
211.12256	5.6
212.09453	2.6
212.13135	0.9
213.13943	1.6
216.06548	0.9
222.09355	2.0
222.11400	1.4
223.12268	1.5
224.09216	3.8
225.10231	9.6
225.13858	2.4
226.10966	5.2
227.11804	7.6
234.07518	8.2
235.08728	1.2
235.12222	1.0
236.09183	1.1
236.11023	1.1
236.13069	0.9
237.10219	11.1
238.11034	3.5
239.08208	1.6
239.09178	1.2
239.11746	19.0
240.12720	1.9
241.09723	2.5
241.13388	2.8
245.12994	1.1
250.07085	1.2
251.08064	1.5
251.11813	6.5
252.08667	43.0
252.12578	1.7
253.09601	4.5
253.13361	11.8
255.11305	10.1
255.15028	1.7
257.12845	1.3
261.10214	1.0
263.11813	1.1
264.08948	1.0
265.09720	9.5
266.10474	2.4
267.11285	11.5
269.12848	0.9
270.11212	1.9
271.10849	1.8
271.14288	1.6
273.12323	2.9
278.06604	3.1
279.11249	8.9
280.08578	1.0
280.12173	1.0
281.12823	15.2
282.11270	1.3
283.10806	3.3
283.14032	1.2
285.12259	3.2
287.13879	1.9
293.09207	7.9
294.09875	1.8
295.10712	1.0
297.12354	5.3
298.13095	2.3
299.10474	1.6
299.13815	9.0
307.10843	3.7
309.12384	4.9
311.10165	1.8
312.11050	1.8
313.11874	2.8
315.13345	10.6
316.14407	1.1
317.24774	1.0
325.11859	6.5
327.13361	28.8
330.15875	1.2
331.16953	1.0
333.14346	2.6
335.10321	5.0
340.10397	1.7
341.11282	5.3
341.14993	3.1
353.11185	5.7
357.14618	1.4
359.12335	8.8
367.12781	1.8
385.13910	35.5
388.16531	1.0
392.19595	0.9
411.11737	4.6
416.19684	2.2
418.17273	1.0
420.18652	1.0
429.12567	1.0
434.20676	6.5
442.17484	0.9
444.19199	2.2
452.21121	1.3
460.18527	5.8
462.20178	9.3
480.21506	3.0
488.18143	20.3
494.22858	0.8
494.38367	1.8
502.35101	1.7
506.19272	4.8
520.20239	1.1
520.36328	6.8
524.20142	2.1
538.21411	2.7
538.29474	1.1
538.37366	15.5
548.20245	6.8
551.18878	1.9
556.38434	20.0
564.19556	2.7
566.21240	6.7
574.17987	2.3
574.39459	10.5
592.19287	18.4
592.40710	4.3
610.25323	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	609.4507
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03940	1.6
55.05512	17.4
57.03429	4.3
57.07076	1.4
65.03954	1.9
66.70821	1.1
67.05499	28.4
69.07070	11.6
71.04989	1.6
71.07101	2.3
71.07424	1.1
78.23386	1.1
79.05489	19.2
81.07051	27.9
83.04970	1.7
83.08610	7.4
85.06532	1.8
91.05470	15.3
93.07042	20.8
95.04968	3.0
95.08598	19.1
97.06531	3.7
97.10168	3.7
103.05473	1.2
105.07031	18.9
107.08608	11.1
109.06544	1.0
109.10138	9.2
111.08129	1.5
115.05462	1.5
116.06209	1.1
117.07003	9.0
119.08575	16.5
119.82025	1.0
121.10126	9.0
123.11700	2.4
128.06259	2.6
129.07002	12.2
131.08565	13.1
133.10123	10.3
135.11690	5.5
141.07002	4.4
142.07797	3.8
143.08572	14.0
145.10103	14.1
147.11659	7.5
149.13277	2.5
154.07776	1.7
155.08524	10.2
156.09381	1.9
157.10123	12.3
159.11685	9.7
161.13243	4.0
166.07793	1.3
167.08592	3.9
169.10088	14.1
171.11705	12.7
172.12411	1.2
173.13177	6.8
175.14905	3.2
177.16344	1.2
179.08543	2.5
181.10112	6.9
182.10796	1.1
183.11665	13.9
183.13184	1.2
185.13235	9.1
187.14835	3.6
189.16371	1.6
193.10130	2.0
195.11665	9.1
197.13261	9.5
199.14795	5.9
201.16533	1.4
207.11681	2.9
209.13235	6.1
211.14868	5.3
213.16399	3.2
221.13365	2.9
223.14815	4.3
225.16444	5.4
227.18098	1.8
235.14795	1.5
237.16425	4.1
239.17943	3.5
251.17915	1.9
253.19580	1.4
265.19586	1.3
275.20029	2.3
309.22070	1.2
323.23569	1.2
349.25299	1.2
351.27005	2.1
379.29941	1.8
447.32635	2.2
509.36252	1.3
517.40417	9.6
535.41425	5.5
539.36859	1.9
591.44342	8.7
609.45093	100.0
610.45276	3.3
623.85852	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	609.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01858	1.8
55.05254	1.1
55.05505	13.6
57.03424	4.3
57.07066	1.8
57.11550	0.6
65.03932	1.4
67.05499	22.9
69.03413	0.7
69.07061	15.4
71.04977	1.0
79.05489	14.6
81.07050	25.9
83.04977	1.6
83.08607	7.5
85.06534	1.2
91.05472	13.8
93.07031	16.7
95.04957	2.6
95.08599	21.3
97.06512	3.0
97.10165	4.0
99.08089	1.0
105.07021	13.7
107.08585	10.5
109.06502	1.0
109.10149	7.7
111.08088	1.2
115.05435	1.0
117.07008	7.4
119.08566	12.1
121.10128	7.6
123.08047	0.6
123.11696	2.3
125.09611	1.3
128.06213	2.7
129.06059	0.4
129.06981	10.6
130.07779	0.7
131.08559	13.2
133.10110	10.3
135.11703	3.7
137.13220	0.7
141.07002	5.5
142.07735	3.3
143.08537	15.1
144.09370	0.8
145.10115	12.0
147.11673	6.7
147.98413	0.6
149.09563	0.8
149.13243	2.4
153.06985	2.1
154.07748	1.7
155.08531	12.7
156.09380	1.1
157.10114	14.2
159.11673	11.0
161.13277	2.8
163.14803	1.2
165.06984	1.4
166.07698	1.1
167.08531	5.7
168.09341	2.3
169.10112	16.9
170.10901	0.7
171.11681	12.0
173.13264	6.5
175.14819	2.3
179.08517	1.6
180.09343	1.4
181.10106	9.0
182.10896	2.1
183.11685	16.4
185.13251	9.0
187.14806	3.3
189.16368	1.1
189.27850	0.6
193.10175	3.2
193.11801	0.6
194.10931	0.6
195.11694	11.9
195.81451	0.8
196.12346	0.8
197.13235	11.1
199.14807	6.4
201.16371	2.1
203.14302	0.7
203.18057	0.9
205.10129	1.3
207.11664	4.8
208.12419	1.2
209.13229	8.7
211.14789	8.3
213.16426	4.5
215.17938	1.1
219.11589	1.2
221.13208	3.3
223.14763	6.9
225.16354	5.0
227.18204	2.9
229.19615	0.7
233.13286	1.6
235.14719	3.1
237.16354	5.7
239.18007	3.4
241.19662	1.6
247.14645	0.8
249.16394	2.4
251.17978	2.2
253.19496	2.0
257.19052	0.9
263.17972	1.4
265.19550	2.0
267.21078	0.8
269.18881	0.8
275.20380	0.8
277.19528	1.0
279.21088	0.9
283.20508	0.8
293.19037	0.9
293.22519	0.7
299.19806	0.7
305.22748	1.0
307.20505	0.8
309.22141	1.3
311.20404	0.8
311.23941	0.6
315.60690	0.6
319.24054	0.8
321.22049	1.2
323.23587	1.7
325.25171	0.7
335.23764	1.7
337.25165	1.1
339.26816	0.9
349.25360	1.7
351.26901	2.5
353.24768	1.3
355.26135	0.8
361.25143	0.9
363.26904	1.4
365.24506	1.3
365.28476	1.6
367.26184	1.3
369.28033	0.7
377.28485	1.1
379.26028	0.8
379.30304	1.0
393.31897	0.7
395.29321	0.6
405.31674	1.2
407.28995	0.7
425.30530	0.9
433.30939	0.8
435.32352	0.7
447.32532	2.0
449.33771	1.0
475.35504	0.9
499.39221	2.7
501.35635	1.3
513.35168	0.7
517.40430	13.4
521.36279	1.1
535.41467	9.3
539.37494	2.2
553.40521	0.7
555.41913	1.3
573.43115	3.1
591.44110	15.7
609.45056	100.0
610.45398	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	609.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.5
53.00294	0.5
53.03928	1.0
54.30781	0.5
55.01862	1.6
55.05507	14.4
57.03437	3.8
57.07068	2.6
64.60688	0.4
65.03943	1.4
66.13489	0.5
67.05498	25.6
69.06710	1.0
69.07063	13.0
71.04986	1.7
71.08593	0.6
75.57754	0.4
79.05485	16.5
81.07050	25.1
83.04973	1.3
83.08616	6.2
85.06538	1.7
91.05471	16.1
93.07036	17.7
95.04977	1.9
95.08597	22.6
97.06531	2.3
97.10150	4.4
99.08122	0.8
102.23904	0.4
105.07017	15.5
106.60007	0.6
107.04932	1.0
107.08585	11.1
109.06513	1.0
109.10143	8.9
111.08102	1.0
115.05408	1.1
117.06998	8.5
119.08578	15.4
121.10130	8.1
123.08067	1.3
123.11705	2.0
125.09624	1.1
128.06198	3.0
129.06989	10.9
130.07814	0.8
131.08554	13.2
133.10124	10.9
135.11671	4.7
137.13254	0.9
139.11201	0.8
141.06989	5.7
142.07803	2.6
143.08540	13.3
144.09367	0.7
145.10103	16.0
147.11694	6.8
149.09613	0.8
149.13235	2.5
153.07043	1.6
153.12679	0.8
154.07803	1.9
155.08534	13.5
156.09320	2.6
157.10117	14.6
158.10814	0.5
159.11671	10.9
161.13239	3.3
163.11255	0.6
163.14865	1.0
165.07033	1.3
166.07813	0.8
167.08566	6.2
168.09393	1.5
169.10100	16.5
170.11020	0.6
171.11662	13.2
173.13263	5.9
175.14885	1.9
179.08601	2.4
180.09308	1.4
181.10092	8.7
182.10907	1.4
183.11673	15.0
183.13196	1.0
184.12340	0.6
185.13240	8.9
187.14799	3.7
189.16380	1.4
191.08652	0.7
193.10173	4.1
194.10890	1.5
195.11690	10.0
196.12425	1.0
197.13243	13.0
197.14986	0.9
199.13177	0.8
199.14807	5.7
201.16412	2.4
205.10175	1.0
207.11736	4.0
208.12543	1.0
208.95570	0.6
209.13217	8.7
210.14038	0.9
211.14810	7.9
213.16414	4.4
215.17987	1.2
221.13176	3.4
223.14784	5.7
225.16360	4.3
227.18039	3.2
233.13271	1.2
235.14900	2.0
237.16380	4.9
239.17924	4.0
241.19649	1.4
247.14755	0.8
249.16264	0.9
251.17908	2.5
253.19550	1.9
255.21283	0.5
257.19043	0.9
261.16364	0.9
261.21973	0.8
263.17944	1.2
265.19455	1.9
267.21231	1.3
271.20688	0.6
275.20160	1.7
277.19571	0.9
279.21109	1.9
281.22467	0.6
283.20569	0.9
285.22141	0.6
291.20981	0.8
293.22327	0.8
295.20563	1.1
295.23935	0.5
297.22070	1.0
299.20279	0.7
301.21768	0.7
301.25049	0.6
307.20676	1.0
311.20255	0.7
313.21680	0.8
321.21933	1.0
323.20172	0.7
323.23770	1.4
327.23093	0.8
335.23602	1.2
337.21512	0.7
337.25363	2.0
339.26904	1.1
341.25058	0.7
347.23520	1.1
349.25128	1.3
351.22827	0.6
351.26932	2.3
353.24734	1.0
354.55283	0.6
355.26224	0.6
363.26910	1.2
365.28424	1.8
367.26349	0.9
369.28015	1.0
377.28488	1.6
379.30246	1.2
381.28149	0.6
391.30151	1.1
393.27615	0.7
395.29330	0.8
405.31708	1.3
407.29294	0.9
409.31088	1.1
415.30490	0.6
421.31146	0.9
423.32431	0.7
433.30725	0.7
437.34152	0.6
447.32538	1.6
449.34100	1.2
461.33771	0.9
475.35291	1.0
499.39658	2.7
501.36005	0.7
517.40320	14.2
535.41559	6.4
539.37170	2.2
553.42566	0.8
573.43060	2.4
591.36938	0.4
591.43994	12.4
609.45087	100.0
610.45471	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52433	0.7
55.01888	0.8
55.05509	12.1
56.05038	0.8
57.03436	6.0
57.07071	2.1
64.64700	0.8
65.03925	1.0
65.36131	0.7
67.04253	0.9
67.05497	27.5
68.05016	1.0
69.07063	15.9
70.06593	5.3
71.04964	0.8
71.60917	1.3
71.61327	1.1
72.04520	1.0
79.05487	9.3
80.05009	1.5
81.03431	1.0
81.07049	27.2
82.06573	2.7
83.04996	1.4
83.08607	8.7
84.04495	1.3
85.02916	0.8
91.05472	6.3
93.07034	10.3
95.04961	1.9
95.08599	21.6
97.06535	0.8
97.10162	4.6
98.06052	11.7
99.08098	0.8
105.07034	4.9
107.08598	5.1
109.10143	8.0
111.08051	1.2
112.07610	1.6
113.08382	1.8
114.09146	1.6
119.08570	2.5
121.10159	3.2
123.11692	2.5
125.09605	0.9
133.10150	2.1
135.11705	1.5
137.13301	0.8
147.11638	1.6
147.86879	0.8
156.10129	1.0
163.11133	1.0
168.04254	1.2
174.11266	5.3
176.10718	1.3
196.03700	6.1
215.67662	0.7
245.22630	1.1
263.23718	1.3
272.08890	22.5
274.08307	1.0
337.27341	100.0
355.45410	0.8
402.36282	0.8
608.33765	1.0
608.43457	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2703
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03947	0.3
55.05506	1.3
57.03448	0.4
58.69373	0.3
67.05505	2.9
69.07061	1.2
70.67287	1.1
72.05812	0.3
79.05492	2.5
81.07059	2.7
82.19219	0.3
83.04956	0.3
83.08597	0.4
91.05492	1.9
93.07047	2.8
95.04956	0.6
95.08617	2.1
97.06519	0.3
105.07026	2.2
107.08616	1.5
109.06500	0.6
109.10172	1.1
115.05480	0.3
117.07040	1.0
119.08587	1.4
121.10123	0.9
123.08105	0.5
129.06973	0.4
131.08583	1.6
133.10127	0.7
135.11690	0.7
143.08557	0.7
145.10089	1.7
147.11693	0.6
149.09642	0.4
159.11642	0.8
161.13132	0.3
169.10089	0.5
171.11589	0.5
173.13248	0.8
183.11740	0.5
185.13274	0.4
188.00563	0.3
195.11859	0.4
196.66867	0.3
197.10817	0.3
197.13222	0.5
221.10820	0.3
223.12383	0.5
224.13126	0.4
237.13953	0.8
239.15488	0.7
239.17892	0.4
249.13779	0.4
251.15578	0.4
257.18924	0.7
275.20068	2.2
329.25894	0.3
331.22314	0.4
335.25882	0.3
363.16660	0.4
375.16782	0.6
376.17371	0.6
377.17700	1.4
378.19034	0.6
388.18103	0.5
389.18546	1.6
390.18506	1.6
391.19177	2.7
392.19962	1.6
393.21005	0.6
399.16254	0.4
400.17050	0.7
401.17789	1.0
402.19058	0.4
403.19656	1.1
404.20413	1.4
405.20911	3.7
406.21426	2.6
407.22342	4.1
413.17615	0.7
414.18427	0.9
415.19226	3.2
416.20050	0.4
417.20822	0.9
418.17682	0.7
419.18152	0.8
419.22644	1.0
420.23151	1.0
421.23920	4.7
422.24783	0.7
427.19324	0.9
428.20157	0.7
429.20892	3.2
430.22067	1.7
431.18640	1.1
431.23157	0.6
432.19028	0.7
433.20270	1.9
433.24768	0.7
435.21445	0.4
441.21100	0.5
442.21472	1.2
443.23157	1.4
444.23676	1.5
445.15524	0.5
445.20444	1.1
446.21014	0.7
447.17654	2.9
448.18472	0.7
449.23361	0.7
452.21960	0.5
456.19736	0.4
457.24155	2.8
458.24863	0.6
459.21768	2.8
460.23483	1.5
461.19122	5.3
462.19983	2.2
463.20807	1.7
470.21048	1.0
471.18335	0.4
472.22696	1.2
473.19287	0.7
474.20764	1.2
475.20923	7.4
476.21753	6.5
477.22366	5.2
478.23618	1.3
479.24847	0.4
485.23514	9.2
486.20184	3.0
487.20169	0.6
487.25360	0.9
488.21918	1.1
489.22870	6.2
493.26752	0.6
494.26782	1.4
497.23465	0.8
499.21106	2.8
500.21960	2.0
502.23627	0.9
503.24588	6.2
504.20462	0.6
504.25677	0.6
505.25339	0.3
507.23657	1.0
513.22589	1.9
515.24438	9.4
517.22406	1.1
518.23157	0.5
521.26196	3.1
531.23920	17.1
532.24908	0.5
533.24597	0.5
535.23486	1.1
541.22266	1.3
548.24249	0.5
549.24902	2.0
550.25684	4.2
559.23413	7.6
563.26465	0.5
577.24323	1.9
591.26013	34.3
592.26227	0.8
609.27039	100.0
609.44775	5.5
610.27344	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	608.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01857	4.8
55.05495	3.8
57.03417	3.9
58.99577	1.3
61.02904	3.0
67.05497	8.4
69.03416	16.2
70.06581	7.6
70.48565	0.9
70.50485	1.0
70.50831	3.0
71.04984	19.3
71.20390	0.8
72.08156	1.5
73.02899	3.2
76.02206	1.2
79.05499	5.4
79.90583	0.9
81.03405	15.4
81.07034	7.0
83.04963	3.9
84.04504	1.0
84.08138	1.9
85.02895	28.8
85.06534	1.2
86.00641	3.4
87.00816	11.0
88.03998	0.9
91.05450	6.5
93.07030	8.2
95.04953	6.7
95.08595	29.0
96.08112	2.4
97.02876	14.6
97.06517	24.2
99.04441	45.0
102.05588	1.1
103.57167	0.9
105.01862	11.0
105.07032	10.6
107.04922	1.4
107.08585	14.7
109.02866	17.7
109.06509	6.9
109.10140	2.5
110.07175	1.7
111.04414	3.7
113.06006	0.9
113.09607	1.0
117.01860	1.8
117.07016	2.6
119.04889	1.7
119.08569	6.1
120.08080	2.2
121.06487	13.5
121.10119	2.2
122.02724	5.1
123.08052	100.0
125.05972	3.5
125.09618	10.2
125.36110	0.9
127.03899	21.1
129.01817	1.5
129.10184	1.3
131.08551	6.6
132.01114	12.6
133.06464	3.0
133.10117	9.3
135.08035	48.8
135.11636	1.2
136.07591	1.6
137.05962	1.8
137.09615	3.5
139.07526	1.6
141.09088	41.9
143.08548	2.7
145.04932	6.8
145.06552	1.4
146.07297	1.2
147.04376	3.4
147.08051	2.1
147.11673	5.2
149.06029	1.5
149.08401	1.6
149.09602	25.8
151.07501	4.1
151.11127	2.8
153.09151	1.0
157.10112	3.0
159.02902	5.7
159.08011	4.9
160.08824	1.0
161.05991	1.1
161.09598	20.5
163.07527	16.3
165.09074	1.6
169.08463	1.1
174.05830	1.9
175.11165	14.6
177.09082	52.2
177.12587	1.6
179.10654	17.0
181.08595	3.2
193.12204	6.6
195.10146	3.2
200.07401	2.3
203.10692	12.1
212.10074	1.1
213.03900	2.3
213.12282	0.9
221.11702	80.5
231.05005	6.8
239.12753	42.7
239.15189	2.2
242.08453	1.6
249.05975	1.5
297.20816	1.1
324.12579	4.6
324.99960	1.2
342.13715	4.3
342.75674	1.1
360.14807	2.5
425.14487	4.1
427.15753	1.7
513.09741	1.2
608.20789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.291
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
55.05473	0.2
57.07039	0.2
59.04961	0.2
65.56612	0.2
67.05463	0.4
69.07032	0.3
69.30508	0.4
69.30923	1.1
71.08579	0.2
81.07003	0.2
95.08588	0.2
97.10068	0.2
109.10107	0.3
112.10830	0.1
124.01291	0.1
130.14281	0.1
195.09125	0.2
207.09036	0.2
209.10597	0.2
210.11482	0.2
221.10658	0.2
223.12308	0.2
234.11496	0.2
247.12097	0.1
263.11539	0.2
279.50769	0.1
310.13281	0.2
313.27081	0.2
314.16446	0.2
338.13123	0.2
362.16125	0.3
375.16437	0.2
387.16153	0.5
388.16385	0.7
389.17554	1.1
390.18365	0.3
401.17719	0.8
402.18460	1.0
403.19205	3.5
404.19864	1.0
405.20703	2.0
414.19199	0.2
415.19678	0.7
416.15384	0.3
416.20505	1.0
417.16550	1.0
417.21332	4.1
418.21939	1.9
419.22299	3.9
420.23050	0.2
424.22366	0.2
429.21152	0.3
430.16916	1.0
430.22498	0.3
431.18176	9.2
432.18524	1.7
432.24011	0.4
433.24051	9.0
434.24756	1.2
444.19022	0.4
445.19769	9.5
446.20663	4.7
447.21655	5.2
449.23264	0.3
457.20456	0.3
458.21155	0.4
459.21497	5.1
460.22488	12.8
461.23264	13.2
462.19730	0.3
462.24677	0.2
472.22351	0.3
473.23624	3.4
474.24399	1.1
475.21124	0.3
476.22049	0.2
477.22949	0.8
487.24988	1.8
488.25601	0.5
489.23126	0.4
491.19275	0.3
491.24289	0.9
492.25137	1.0
501.22900	0.2
503.24133	0.2
505.21616	3.3
506.26718	0.5
515.24103	0.7
517.22809	0.2
518.23175	0.4
519.24146	1.8
519.26923	1.6
520.24341	0.3
532.24554	1.1
533.25366	0.7
546.22723	0.3
547.26990	30.7
548.27539	0.9
549.25116	0.3
563.23798	0.2
575.26453	0.8
577.24396	0.3
578.25000	0.4
579.29504	0.7
592.26685	0.2
607.29059	100.0
608.29541	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	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
57.07035	0.6
61.88377	0.3
67.05437	0.4
71.10581	0.6
84.95773	0.3
95.08640	0.4
113.23682	0.4
116.59687	0.4
359.43018	0.5
374.15793	0.5
387.16388	0.6
388.16858	1.2
389.17615	1.7
390.18744	0.5
401.18024	1.0
402.18607	1.7
403.19235	4.7
404.19873	1.7
405.20923	1.8
415.19446	1.3
416.20023	1.4
417.16193	0.7
417.21332	5.8
418.21542	3.4
419.22385	4.7
429.21198	0.7
430.17798	1.6
430.22562	0.8
431.18161	11.1
432.19373	1.9
432.23950	0.8
433.24036	13.5
434.24545	1.3
444.18793	0.7
444.23779	0.6
445.19769	13.5
446.20743	5.3
447.21735	4.6
459.21445	6.2
460.22476	15.7
461.23383	17.5
473.23453	4.0
474.23972	1.3
477.22580	0.9
487.25223	2.0
488.25677	0.7
489.22717	0.7
491.24954	0.7
492.25467	0.9
504.24945	0.7
505.21451	2.3
506.26740	0.7
515.24066	0.6
519.27222	1.9
520.24164	0.5
532.24585	0.9
547.27039	49.6
548.27716	1.5
575.26508	1.2
579.29797	1.0
607.29126	100.0
608.29510	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	607.2549
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
58.61047	0.3
67.05492	0.8
69.55240	0.3
69.63401	1.8
69.63818	0.7
71.08603	0.3
76.21101	0.4
79.05486	0.5
81.07053	1.0
81.65842	0.3
91.05450	0.8
93.07044	0.5
95.08606	0.4
119.08586	0.5
144.08038	0.3
145.00191	0.3
145.10089	0.4
184.07385	0.8
225.10234	0.3
241.69368	0.3
259.50394	0.3
373.14825	0.4
375.15997	0.9
387.16144	0.9
388.16870	1.2
389.17499	2.2
390.18579	1.6
391.19125	1.0
396.09161	0.3
401.17786	0.8
402.18420	1.3
403.15472	0.7
403.19571	4.7
404.20203	1.7
405.20734	3.2
411.99234	0.3
415.19437	0.6
416.15616	1.5
416.20984	0.6
417.16211	4.1
417.21158	2.2
418.17847	1.2
418.22275	0.7
419.22516	6.0
420.23053	0.9
429.16873	0.5
430.17615	0.6
431.18326	8.7
432.19180	3.9
433.20178	3.8
435.21725	0.5
443.18405	0.4
445.20056	4.7
446.20996	9.5
446.27325	0.5
447.21759	8.9
448.22272	0.7
459.17755	1.2
459.22232	1.5
460.18851	0.9
461.19617	2.0
462.24484	0.5
463.25171	0.6
473.18884	0.5
473.24017	0.6
474.20416	5.6
475.20941	5.0
477.23038	1.1
478.23541	0.6
487.21188	1.6
488.21951	0.6
490.23520	1.0
491.19864	2.6
501.23264	1.5
505.22345	1.0
506.23288	0.5
519.24078	15.5
520.24207	0.7
532.21399	0.4
547.23431	11.9
548.23358	0.4
561.24445	0.4
579.26019	5.6
579.34485	0.6
607.25500	100.0
608.25916	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	606.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43270	0.5
53.03930	1.5
55.01876	0.5
55.05502	8.1
56.05023	1.6
57.03432	6.3
57.07045	0.6
65.03918	1.2
66.19961	0.5
67.05495	30.5
68.05022	0.7
69.03416	0.9
69.07059	6.9
70.02942	0.7
70.06581	5.3
71.04977	1.0
71.60467	0.5
71.60915	1.0
74.63853	0.6
79.05484	14.6
80.05002	2.2
81.03397	1.1
81.07047	25.5
82.06566	3.4
83.04958	1.2
83.08615	2.8
84.04485	1.5
85.06514	0.6
86.06050	1.2
86.09676	0.9
91.05463	7.2
93.07030	17.5
95.04927	2.5
95.08595	20.4
97.06511	1.9
97.10143	1.1
98.06038	10.5
105.07009	5.2
107.04948	0.6
107.08582	7.4
109.10139	8.0
111.08090	0.7
111.62814	0.5
112.07585	2.3
113.08356	0.9
114.09223	0.9
117.06981	1.8
119.08534	3.0
121.10122	4.7
123.11676	1.6
131.08524	1.7
133.10092	2.1
135.11702	3.1
137.13313	0.7
145.10104	1.2
147.11644	1.3
149.13232	1.6
156.10191	2.1
159.11597	1.2
161.13263	0.6
168.04202	1.4
172.95226	0.8
174.11226	7.0
196.03662	5.7
258.23474	0.6
261.21997	0.7
272.08887	24.0
335.25751	100.0
336.26096	1.9
389.74948	0.5
437.25262	0.8
473.19568	1.2
607.35156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33206	3.5
51.57738	3.6
53.03940	7.3
55.01862	17.2
55.05513	36.3
57.03435	7.6
57.07077	59.7
67.05169	5.2
67.05505	73.9
69.07072	34.8
69.52239	10.5
69.52660	15.6
71.04983	5.7
71.08632	35.8
79.05052	4.5
79.05491	54.9
79.74864	3.7
80.52224	3.1
81.07055	100.0
83.04975	4.4
83.08607	25.4
85.10153	19.2
86.89191	3.2
91.05474	44.0
93.07037	43.6
95.04954	12.1
95.08602	69.5
97.06529	18.6
97.10167	18.1
105.07035	43.5
107.04962	16.7
107.08594	37.3
109.06503	18.6
109.10147	37.1
111.08069	7.7
114.28828	3.6
117.06996	12.9
119.08584	38.2
121.06483	5.8
121.10128	19.9
123.08059	6.1
123.11699	15.7
124.38074	3.5
125.09619	5.3
129.06973	4.0
131.08562	16.9
133.10150	30.8
135.08051	9.5
135.11693	6.4
137.09567	4.2
137.13145	3.9
139.11115	4.1
145.10124	20.1
146.85736	3.4
147.11685	25.2
149.09627	29.1
149.13240	5.6
155.08551	4.3
159.11691	13.7
161.09657	5.9
161.13222	8.7
163.11151	14.6
165.12793	4.6
169.10136	4.4
171.11723	4.7
173.13264	5.4
175.14737	3.4
183.11507	4.1
189.11250	3.7
209.93686	3.4
227.12776	10.0
236.04474	3.5
239.17958	5.7
239.23602	7.7
247.20453	4.4
257.19089	12.8
260.24634	3.4
275.20047	99.2
293.21088	13.6
313.23877	2.6
313.27341	63.1
331.22778	3.5
349.23676	41.3
587.46716	37.7
605.39453	10.2
605.48718	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01858	1.5
57.03432	3.0
61.02912	2.6
68.98430	1.1
68.99758	2.2
69.03419	11.2
70.06594	1.2
71.01361	1.3
71.04961	1.1
73.02908	3.7
79.05475	1.5
81.03416	7.5
85.02900	15.4
97.02878	5.4
97.06528	2.1
98.21519	2.2
99.04433	3.2
103.03927	1.3
109.02895	5.9
111.00795	2.1
115.03966	1.2
123.04400	1.0
127.03915	12.0
129.07005	2.1
131.05055	1.7
133.05019	1.9
137.02341	1.5
145.04951	2.8
147.04410	2.1
153.01817	73.0
153.06970	1.7
161.05991	4.0
163.03925	2.1
165.01759	2.0
173.05945	2.2
175.07530	1.6
177.01891	1.2
181.06491	2.4
183.02888	1.5
187.05995	6.9
189.05417	2.0
189.09171	2.3
195.02939	2.8
199.07530	3.6
201.05469	2.1
201.09131	2.4
203.03441	1.6
205.07118	2.3
211.07616	1.5
215.06900	1.1
217.05051	1.2
217.08647	1.5
219.02902	3.8
227.07068	3.7
229.04953	1.9
229.08620	3.7
229.84544	1.2
242.06123	1.2
245.08134	1.7
255.06552	6.7
261.03882	2.5
269.04529	1.9
269.08115	1.3
270.05191	1.6
271.05923	1.2
273.04401	1.8
273.07538	20.3
279.06772	1.2
285.03824	1.7
297.04111	1.1
297.07614	1.4
298.04770	2.8
299.05457	3.7
301.03424	3.0
303.05188	1.4
309.07404	2.1
311.05417	4.0
311.09137	2.7
313.03433	9.9
313.07080	1.7
323.05408	1.7
324.06229	2.0
325.07077	3.5
326.04312	2.1
327.04996	2.8
327.08704	1.6
334.04602	1.4
335.09045	1.7
337.07001	3.2
337.23697	1.1
342.07117	1.4
353.10193	3.2
355.03671	2.1
355.08102	41.7
357.94629	1.2
363.08698	2.8
381.09644	24.7
399.10727	100.0
441.11682	1.3
465.11871	1.4
527.01019	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	603.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01854	0.6
57.03428	1.0
58.11162	0.3
61.02923	2.1
67.05495	0.7
69.03427	4.5
69.07066	1.9
69.70148	2.4
70.06557	0.4
71.04986	0.9
73.02914	2.3
73.77975	0.3
75.35747	0.4
79.05482	1.0
81.03417	3.3
81.24522	0.4
85.02899	6.5
97.02889	2.9
97.06527	5.3
98.20801	0.8
99.04447	1.2
103.03967	0.4
109.02869	3.5
115.03909	0.5
121.02832	0.4
127.03902	5.8
129.95546	0.3
133.04935	1.0
137.02271	0.4
145.04906	2.3
153.01819	2.1
159.97617	0.4
160.23457	0.4
165.01859	0.7
173.28700	0.4
176.15186	0.4
187.06039	4.1
201.05428	0.4
205.07133	1.2
217.04968	2.4
228.04208	0.4
229.05009	1.6
243.06581	0.7
245.04446	4.0
257.04535	1.2
257.51740	0.4
265.91977	0.4
269.04465	1.1
271.06049	1.1
273.03912	4.3
274.04614	0.5
285.03949	2.6
287.05441	0.6
299.05515	6.7
301.03391	9.4
302.04187	1.6
303.04944	4.7
313.03397	19.4
325.07037	2.0
326.04227	1.4
327.08566	1.8
335.81906	0.4
355.08118	15.6
364.74023	0.4
364.78540	0.4
373.48453	0.4
374.83810	0.4
399.10721	100.0
400.11099	1.1
441.11526	0.6
585.15387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
53.16550	1.2
55.01851	2.0
55.05484	1.5
57.03416	3.5
61.02902	3.2
63.26535	1.2
68.99774	2.3
69.03413	8.7
69.07020	1.3
69.31413	12.2
69.68949	1.1
69.85352	1.0
70.06559	1.7
71.04996	2.1
71.51552	1.2
73.02914	6.2
73.42893	1.2
79.05480	1.8
81.03410	10.4
81.07060	1.1
82.00540	1.0
83.04947	1.2
84.08137	1.2
85.02904	15.1
91.08515	1.5
95.08546	1.2
97.02884	8.7
97.06529	1.2
99.04437	3.3
107.54967	1.2
109.02878	6.4
111.00821	1.4
123.04386	1.5
127.03908	14.9
129.06953	1.4
133.04930	2.5
137.02370	1.4
139.03856	1.2
145.04947	5.7
146.10838	1.2
147.04366	1.4
153.01817	62.4
153.06917	1.5
159.08144	1.3
160.56065	1.1
161.05942	4.2
163.03828	1.5
165.01793	4.4
173.05951	2.2
175.03867	1.2
175.07576	1.6
177.01814	1.4
181.06508	1.7
183.02879	1.8
187.05992	8.3
187.07484	2.5
189.05466	2.7
191.03377	1.6
195.02798	4.5
199.07518	1.8
201.05429	4.2
201.09096	1.6
203.03310	1.4
205.07050	2.4
215.07013	2.2
217.04832	1.5
217.08429	1.6
219.02869	1.8
227.06984	3.5
229.08595	5.2
238.54039	1.3
245.08165	2.0
255.06500	8.2
261.03934	2.1
269.04388	2.0
270.05167	3.2
271.05994	3.1
273.07556	17.8
281.04572	1.3
281.08163	2.1
282.05225	2.1
285.03790	1.4
298.04556	1.8
299.05588	1.7
302.04062	1.5
303.05023	2.2
311.05502	3.0
311.09241	1.7
313.03357	4.4
315.13345	13.3
324.06250	1.4
325.06970	2.5
326.04227	1.8
327.04916	3.0
327.08566	2.1
335.05411	2.8
335.09076	2.9
337.07013	2.1
353.10287	2.9
355.08096	65.8
363.08517	4.9
377.97653	1.2
381.09601	30.3
399.10730	100.0
441.11545	2.3
547.44739	1.1
632.01141	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	603.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01860	0.9
55.05511	1.6
57.03428	2.4
57.38654	0.8
61.02913	2.9
68.99781	2.1
69.03422	9.3
70.10593	0.8
70.33339	2.9
71.04975	2.1
73.02914	5.1
79.05517	0.9
79.44716	0.8
80.28087	0.7
81.03412	7.4
81.07045	0.8
83.04969	0.9
85.02415	1.2
85.02901	15.5
93.07039	1.0
97.02876	5.5
99.04448	2.9
102.01102	0.7
102.69027	0.7
109.02872	6.1
111.00808	1.8
115.03942	1.0
117.07011	1.4
121.52657	0.9
123.04374	1.1
127.03907	12.5
133.04958	1.5
133.06467	0.9
137.02350	1.9
139.03903	1.1
145.04938	3.8
147.04417	1.9
153.01820	27.4
153.07011	0.8
155.08473	1.0
157.06505	1.1
159.04340	1.3
161.05922	0.9
165.01840	5.5
171.04498	0.9
171.08105	1.6
173.05954	1.8
180.95003	0.8
181.06441	1.7
183.02928	1.0
185.06042	0.9
187.04066	1.2
187.06021	5.9
187.07474	1.4
188.08119	0.9
189.05522	1.3
199.03958	1.5
199.07568	2.2
201.05420	1.5
203.03395	1.5
205.07021	2.9
213.05472	1.1
213.09164	0.9
215.07002	2.9
227.03435	2.2
227.06976	4.7
229.04892	1.1
229.08580	1.0
237.05588	1.1
241.08659	1.7
242.05728	1.3
253.05063	1.2
255.06403	4.9
265.05103	1.1
269.04327	4.4
270.05170	2.9
281.04431	1.5
283.05969	2.4
285.03897	1.1
295.06158	0.8
297.03900	3.3
298.04675	2.6
299.05481	1.7
302.04013	1.2
303.05075	1.1
307.09622	1.5
309.07553	2.2
311.05591	3.8
313.03522	1.6
315.05026	1.0
326.04166	2.0
327.04886	3.9
335.09189	2.0
337.07089	1.5
339.05042	5.1
350.08365	0.9
353.10196	2.3
355.08087	42.7
363.08649	2.0
366.07416	1.4
381.09677	100.0
382.10168	1.1
385.27805	0.8
399.10727	91.4
400.11063	2.1
603.31842	0.9
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
54.10312	0.9
55.01866	1.8
55.05516	4.6
56.72018	0.9
57.07048	1.0
58.99587	1.0
61.02929	1.0
67.05505	17.0
69.03414	1.2
69.07063	6.1
70.06595	2.3
70.78582	2.2
71.08639	1.2
71.72070	1.1
74.00664	3.9
76.02209	2.0
79.05497	7.8
81.03397	2.0
81.07059	15.4
83.04977	1.4
83.06101	1.8
83.08610	3.3
84.04493	4.5
85.02918	1.5
86.00659	2.3
86.09689	1.8
88.02185	1.3
91.05472	5.5
93.07040	7.4
95.04972	2.7
95.08607	12.7
97.01109	1.2
97.06533	3.1
100.02213	1.6
105.07028	4.0
107.08572	4.5
109.10193	5.8
111.02609	1.2
112.02200	3.1
114.03777	5.2
114.04446	1.1
116.01688	3.3
117.06998	1.0
119.08557	3.5
120.08138	1.3
121.10163	5.2
123.08045	1.3
123.11733	1.8
127.03952	1.0
130.04997	0.9
131.08559	1.0
133.10103	1.8
135.11688	2.2
137.09618	2.2
137.13261	2.0
143.08609	1.9
144.01175	1.7
145.10149	1.7
147.11676	2.3
161.13199	1.3
165.12801	1.3
171.11729	1.3
179.14265	1.0
185.03856	1.4
196.11592	4.3
206.80298	1.0
215.04892	2.3
216.05666	2.0
224.11037	18.6
231.04327	3.6
231.21150	1.2
233.05983	1.3
241.11237	1.6
242.12085	31.2
277.21658	5.8
295.22650	2.9
308.09323	1.0
325.22037	1.6
326.21460	1.3
335.20309	2.8
344.13959	7.2
352.23029	10.9
353.21506	2.5
370.24152	5.9
399.10236	1.4
409.25385	1.4
455.25726	100.0
456.25632	1.3
527.28046	4.8
585.28534	1.4
602.31372	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	601.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.7
55.05507	18.4
57.07069	20.2
57.28502	4.5
59.04976	6.0
67.05496	41.4
69.03432	6.8
69.07069	32.7
69.41202	46.7
71.08617	12.3
79.05498	30.4
81.03413	11.2
81.07060	42.9
83.04988	11.9
83.08623	15.2
89.06025	17.6
90.06361	6.5
91.05475	54.4
93.07042	71.2
95.04974	18.8
95.08596	36.7
97.06505	14.0
97.10161	7.4
98.21511	9.2
105.07033	100.0
105.07745	5.9
106.07363	9.0
107.08587	72.0
109.06521	16.7
109.10166	36.0
111.08073	8.6
115.05461	8.5
117.07038	17.6
119.08569	82.3
120.08928	9.1
121.06528	12.3
121.10145	81.4
123.08076	19.2
123.11730	12.7
125.09618	17.2
128.06212	19.6
129.06993	17.6
131.08577	41.9
133.06488	5.4
133.08600	15.7
133.10126	61.6
134.08881	5.3
135.07985	11.5
135.11679	19.6
137.09641	12.3
141.06978	7.2
142.07758	16.7
143.08554	38.8
144.09212	8.2
145.10120	53.7
147.08063	9.5
147.11679	21.3
149.09636	16.8
151.07587	6.5
155.08533	16.2
156.09331	19.8
157.10120	49.3
159.08044	12.4
159.11728	46.0
161.09671	14.8
161.13304	8.2
163.11186	6.0
165.07030	7.7
165.09172	10.6
167.08606	9.4
167.10686	46.4
168.09190	6.7
169.10098	28.4
170.10941	7.7
171.11725	32.8
172.12083	5.7
173.09612	7.1
173.13266	25.1
175.11183	8.9
175.14818	11.9
177.12820	7.3
179.08534	7.5
180.09299	6.4
181.10089	10.5
181.12119	7.2
182.10690	8.2
183.11743	26.5
184.12389	5.5
185.13319	16.8
187.11163	10.5
187.14822	13.5
189.12675	6.9
193.10181	8.1
194.10936	7.1
195.11754	20.4
196.12520	6.3
197.13277	20.2
199.14758	12.9
201.12788	6.7
201.16434	6.1
207.11728	13.1
208.12413	6.5
209.13257	20.0
211.14781	14.3
212.15483	5.6
221.13214	16.1
221.15384	19.8
223.14902	12.3
227.14224	6.4
231.11557	5.3
233.13277	11.3
233.15392	22.8
234.14021	6.9
237.12555	5.5
237.16331	7.9
247.83266	6.7
263.48932	5.0
269.19022	6.7
271.69376	5.5
299.19830	6.4
373.86526	5.4
411.50998	4.7
417.55060	5.6
518.52100	5.0
523.83685	5.7
574.28882	5.5
583.40857	15.6
601.42566	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54420	6.0
55.05500	22.2
56.85196	5.4
57.07078	13.5
65.03939	6.5
67.05489	37.0
69.03435	15.4
69.07065	20.3
69.31657	60.8
79.05487	31.8
81.03414	17.2
81.07056	42.6
83.04978	13.2
83.08612	16.4
85.02892	7.7
85.06522	7.8
87.04464	9.0
89.06035	20.6
91.05468	63.7
93.07040	83.5
95.04968	23.7
95.08615	44.0
97.06529	9.1
98.21609	11.8
103.05525	6.4
104.06413	5.5
105.07027	100.0
107.04980	6.4
107.08585	72.1
109.06505	17.9
109.10127	32.5
111.08119	6.0
115.05428	8.9
116.06271	6.4
117.06993	21.1
119.08577	80.1
120.08856	6.7
121.06508	5.8
121.10146	80.8
122.10520	7.5
123.08038	18.1
123.11720	13.4
125.09589	13.2
128.06209	21.7
129.06985	12.7
131.08580	41.0
133.06505	7.2
133.08607	10.6
133.10114	55.3
135.08060	20.8
135.11702	22.9
137.09589	12.8
139.11053	7.3
141.07005	7.0
142.07784	19.7
143.08534	43.2
144.09308	9.0
145.10112	60.3
147.08054	9.8
147.11679	20.1
149.09663	17.6
154.07846	7.9
155.08554	17.5
156.09364	9.2
157.10107	53.4
159.08142	15.5
159.11711	31.3
161.09657	17.3
161.13306	5.7
163.11176	9.7
165.09138	10.4
167.08586	8.0
167.09396	7.4
167.10643	59.1
168.09317	5.9
169.10144	33.9
170.10963	8.9
171.11667	35.1
173.09598	6.1
173.13220	31.8
175.11169	10.8
175.14812	14.8
179.08493	7.0
181.10098	17.6
182.10818	9.9
183.11653	18.4
184.12398	6.4
185.13278	18.3
187.14812	8.1
189.12695	9.4
191.14304	5.8
193.10109	13.0
194.10776	6.3
195.11632	21.1
196.12241	6.0
197.13271	19.5
199.14772	13.8
203.14320	17.1
207.11700	16.6
207.13687	6.3
209.13258	17.1
211.14841	16.5
213.12634	8.1
213.16257	9.8
219.11642	10.4
221.13257	14.3
221.15379	32.3
223.14940	10.8
225.16275	6.4
231.11624	5.8
233.13106	7.8
233.15390	23.4
237.16434	10.5
245.13223	7.2
247.14877	8.4
249.16356	6.3
251.18010	6.7
261.16492	6.2
269.19080	8.3
271.13260	8.4
295.20398	6.6
299.20038	7.5
313.27310	6.9
450.79019	5.9
468.87601	5.7
491.35251	6.4
583.41516	13.9
601.42120	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.8
55.01874	4.5
55.05496	18.9
56.67637	3.9
57.07064	17.3
61.76424	3.7
65.03928	7.4
67.05499	47.9
69.03418	19.5
69.07060	18.1
69.54333	18.7
69.54742	12.3
70.31819	3.7
71.04992	6.1
79.05495	39.1
81.03417	24.0
81.07059	63.0
83.04999	21.7
83.08600	21.1
85.06554	4.9
85.10144	3.5
85.13116	3.9
87.04456	6.1
91.05478	71.8
91.43842	4.5
93.07040	93.2
95.04966	39.1
95.08608	46.4
97.06515	13.7
97.10185	5.0
101.16933	4.2
103.05441	7.2
105.07026	100.0
107.05011	4.3
107.08596	69.5
108.05751	4.7
109.06505	20.8
109.10137	30.1
111.08071	7.7
115.05492	5.1
117.07012	18.2
119.08572	82.8
120.08926	4.6
121.06528	16.6
121.10133	79.6
123.08069	23.3
123.11695	10.3
125.05994	5.2
125.09644	14.0
128.06195	9.1
129.06972	18.7
130.07755	12.1
131.08583	51.8
133.06479	5.7
133.10114	62.9
134.10538	4.9
135.08058	25.3
135.11700	17.9
135.31178	5.1
137.09618	12.7
141.06987	13.2
142.07779	22.2
143.08568	36.4
144.09334	10.5
145.10132	63.5
146.10466	4.0
147.08075	17.0
147.11667	27.3
149.09633	15.2
149.13364	4.2
151.07573	13.8
153.30649	4.4
154.07874	4.3
155.08600	20.6
156.09366	22.1
157.10136	62.1
158.10718	9.2
159.08047	13.0
159.11700	40.0
160.05211	4.3
161.05927	4.2
161.09607	16.1
161.13261	7.8
163.11240	17.8
165.06934	10.4
165.09111	30.6
167.08566	13.9
167.10672	41.1
168.09348	5.4
169.10136	29.0
170.10866	6.4
171.11696	35.9
173.06024	4.6
173.09630	9.5
173.13177	24.1
175.11172	15.3
175.14763	11.6
179.08522	15.8
180.09236	6.3
181.10106	15.6
181.12219	12.2
182.10880	7.1
183.11728	21.2
184.12413	7.7
185.09544	5.1
185.13216	20.7
187.11194	5.6
187.14780	7.6
189.12740	9.5
191.14302	8.8
193.10103	9.2
194.10918	4.7
195.11684	23.7
196.12344	6.5
197.13272	19.6
199.14798	13.4
201.12746	7.3
203.14354	16.9
206.10983	5.6
207.11708	14.7
207.13721	6.8
208.12334	6.6
209.13277	22.3
210.13898	8.3
211.14848	15.3
213.12720	6.6
213.16380	8.8
215.14342	6.6
217.16058	6.0
219.11742	8.5
220.12248	7.2
221.13234	11.7
221.15300	65.1
222.15764	6.2
223.14876	11.8
225.12726	6.8
227.14276	4.6
232.76706	3.8
233.13260	7.5
233.15375	18.1
235.14680	9.2
237.16556	6.5
237.87650	4.5
245.13231	5.3
247.14810	5.7
249.16409	5.4
251.18005	6.2
256.17715	5.1
263.17999	5.6
269.18991	9.3
271.13278	14.8
273.18347	4.7
287.20084	7.9
301.21570	5.8
303.19464	7.1
311.25742	5.2
313.27249	5.9
329.22366	4.4
345.16956	6.9
352.23853	11.4
353.24316	16.2
379.26114	5.1
382.01434	4.3
521.35846	10.5
565.41077	5.0
583.41284	5.7
601.41626	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59184	2.7
55.05497	9.0
57.07061	10.7
59.04978	3.9
67.05482	13.5
69.03412	7.3
69.07040	6.5
71.31060	4.7
71.31382	4.3
76.97736	2.6
79.05476	14.5
81.07055	30.4
83.05015	3.9
85.06580	3.8
85.67815	3.0
91.05466	27.7
93.07040	49.4
94.07346	3.5
95.04955	11.2
95.08597	24.5
105.07016	45.3
107.08588	25.1
109.06492	13.6
109.10174	9.1
115.05467	4.4
117.07004	11.3
119.08562	57.5
120.08879	4.5
121.10133	25.9
123.08030	20.2
125.05968	8.5
128.06218	4.6
129.06992	9.0
130.07750	4.5
131.08546	24.3
132.09348	3.7
133.10115	25.6
135.08032	16.0
135.11711	8.1
137.09602	20.0
139.07520	4.5
142.07750	12.0
143.08540	21.5
144.09319	5.3
145.10118	34.8
147.08015	31.5
147.11603	6.9
148.08383	4.2
149.09602	7.5
151.07506	14.0
155.08531	7.2
156.09271	5.5
157.10123	22.7
158.10645	5.7
159.08076	5.3
159.11697	24.3
160.12267	3.7
161.09590	5.9
161.13213	4.0
163.11148	12.4
165.09085	60.5
168.09212	3.7
169.10106	14.1
170.10715	4.2
171.11671	15.4
173.09587	6.5
173.13234	6.3
175.11122	4.4
175.14792	8.1
177.09091	3.5
179.08542	6.2
181.10112	6.6
181.12190	8.7
182.10841	3.8
183.11638	9.3
185.13245	9.4
187.14862	6.7
189.12787	5.0
191.14050	2.9
193.10165	3.7
195.11626	9.9
197.13156	11.3
199.11217	3.2
199.14726	3.2
201.12651	3.5
203.14296	22.8
207.11749	6.6
207.13766	9.6
209.13225	7.5
211.11287	4.1
211.14691	5.5
213.16362	3.3
221.13547	4.4
221.15350	100.0
222.15665	8.2
225.16296	3.6
234.16165	5.3
237.16431	5.3
242.16827	3.2
247.16971	7.2
248.17274	3.8
283.20447	5.9
287.20221	4.5
300.20575	5.1
301.21481	5.7
326.22025	3.2
340.23740	4.7
341.24451	4.0
352.23645	3.6
353.24332	5.2
367.26096	8.4
378.25546	3.6
440.29355	5.1
441.29276	11.2
491.34879	12.2
509.35275	3.6
521.35748	8.5
583.41296	10.7
601.42474	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	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88708	2.6
53.03946	7.0
55.05508	20.0
57.07068	10.1
57.88504	3.0
60.92691	2.5
64.87453	2.6
65.03934	2.9
67.05498	32.9
67.80724	3.1
69.03425	16.2
69.07058	30.4
69.51536	13.5
69.51964	10.0
70.59132	2.5
74.57688	2.8
79.05489	34.3
81.07051	47.0
82.07346	3.2
83.04982	22.1
83.08599	17.4
85.06530	7.4
87.04453	4.6
91.05470	59.4
93.07037	80.5
94.94840	2.7
95.04952	29.5
95.08604	41.2
97.06535	14.4
97.88934	2.7
98.21485	3.5
103.05466	6.3
105.07025	86.1
107.08591	86.6
107.09289	5.5
109.06511	16.8
109.10149	41.6
111.08083	4.0
115.05467	8.1
116.06240	5.3
117.07018	23.6
119.08575	100.0
121.06467	17.1
121.10133	95.8
123.08064	14.4
123.11720	10.2
125.08873	2.8
125.09628	17.3
127.07586	3.2
128.06253	13.7
129.06999	22.9
130.07765	8.2
131.08556	50.9
132.09264	3.2
133.06483	6.4
133.10120	65.9
135.08040	22.0
135.11668	22.6
137.09612	11.7
139.11172	9.0
139.65172	3.3
141.07005	9.5
142.07764	26.6
143.08577	44.1
144.09325	10.5
145.10120	77.6
147.08026	14.1
147.11667	30.5
149.09598	23.4
149.13161	3.7
151.07545	7.0
153.07001	4.3
154.07715	4.2
155.08575	18.3
155.10648	6.5
156.09372	19.8
157.10107	55.6
158.10707	6.2
159.08006	18.9
159.11679	48.1
160.12250	4.0
161.09573	14.3
161.13278	9.3
163.11212	18.8
165.06972	7.2
165.09119	10.3
166.07733	2.9
166.22116	2.9
167.08530	11.6
167.10658	72.1
168.09329	6.8
169.10132	34.0
170.10884	8.9
171.11697	37.8
173.09586	8.1
173.13243	27.2
175.11211	11.9
175.14769	20.5
177.12753	4.1
179.08562	11.6
180.09270	4.9
181.10097	18.3
181.12225	4.2
182.10892	8.1
183.11694	29.3
184.12411	5.6
185.09686	6.9
185.13269	19.0
186.13731	2.9
187.11162	7.8
187.14824	12.9
189.12679	8.1
191.14342	5.0
192.09314	4.7
193.10094	17.5
194.10919	11.4
195.11638	24.3
196.12486	9.6
197.13228	27.5
198.10338	3.5
199.11250	3.1
199.14809	14.0
201.12753	6.7
201.16383	5.3
203.14366	5.7
205.10063	5.2
206.10884	8.5
207.11684	17.3
207.13419	3.2
208.12457	10.1
209.13345	22.0
209.15192	5.9
210.13959	4.7
211.11195	5.1
211.14835	21.1
213.12801	6.3
213.16302	5.7
215.14394	6.0
217.15883	3.8
219.11755	7.7
220.12427	4.7
221.13239	12.1
221.15378	16.1
223.14760	17.3
224.15463	3.4
225.12679	4.1
225.16365	10.6
227.14276	3.8
232.12422	3.3
233.13170	6.7
233.15306	36.1
234.13936	5.3
235.14809	12.4
237.16344	9.0
239.17851	4.5
241.15685	3.2
243.11819	3.1
246.14107	2.8
247.14754	6.7
247.17006	3.2
249.16310	6.1
251.17973	6.2
253.15819	3.1
253.19574	4.4
257.13147	5.4
258.13885	2.9
260.15521	3.7
261.16385	4.5
262.16968	3.2
263.18042	5.4
265.19455	5.1
269.18979	10.6
273.16180	4.9
275.17914	8.2
281.19012	5.3
283.20566	8.1
287.20349	3.6
291.21066	3.1
295.20422	5.1
299.20142	6.7
309.21841	3.3
311.20074	4.3
329.22565	4.5
349.25256	3.8
503.73206	3.0
565.40381	6.3
583.41370	7.8
601.42993	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	601.408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01871	3.2
55.05503	6.8
55.46959	1.5
57.03424	3.7
57.07071	24.7
57.42930	1.6
67.05513	12.5
69.07059	9.6
71.05797	4.2
71.08624	15.2
74.81148	1.6
79.05483	9.4
80.20604	1.5
81.03412	74.5
81.07051	14.5
83.04993	2.5
83.08620	7.2
85.10159	9.5
87.04440	1.7
89.06023	2.5
91.05473	16.6
93.07027	9.3
95.01305	2.2
95.04945	10.0
95.08601	19.1
97.06510	1.7
97.10153	4.0
103.05523	2.9
105.07020	19.8
107.04940	12.4
107.08614	6.2
109.02855	3.3
109.06473	2.8
109.10167	6.3
115.05449	10.5
117.07053	6.8
119.08566	8.2
121.02907	1.9
121.06536	3.3
121.10134	4.6
123.08035	2.7
128.06288	1.7
129.07005	5.0
131.04926	10.6
131.08569	6.0
133.06467	8.1
133.10101	5.1
135.08118	1.7
135.11703	2.0
137.05981	5.0
137.09622	2.1
141.07053	2.7
142.07854	3.0
143.08575	6.6
145.06522	2.9
145.10175	6.9
147.04439	6.6
147.08041	4.7
147.11687	3.3
149.09595	2.6
156.09465	1.9
157.06433	3.2
157.10155	4.6
159.04428	7.0
159.08092	3.0
159.11771	1.8
160.05186	15.8
160.23325	1.6
161.05981	31.9
161.09605	10.1
165.09207	2.1
169.06511	2.6
169.10220	2.6
173.05988	27.1
175.11237	4.2
183.11687	2.1
186.06866	3.0
187.07590	9.2
189.09116	5.2
203.10725	6.9
207.11540	1.6
221.15491	2.3
225.12784	1.8
228.41982	1.8
243.13763	11.5
253.12230	2.0
271.13272	43.7
289.14310	19.6
289.17578	2.8
313.27371	26.5
345.17004	17.2
464.49991	1.7
583.39777	4.5
601.41040	100.0
602.40491	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	19.0
63.08327	4.8
67.05493	12.5
69.03428	8.8
69.07058	8.0
70.86263	12.1
79.05483	14.4
81.07051	28.4
81.77689	4.8
82.99273	6.2
83.04942	5.5
89.05999	5.3
91.05476	26.0
93.07029	32.0
95.04955	12.0
95.08596	27.6
105.07024	39.2
107.08593	24.8
109.06521	6.9
109.10130	9.9
117.06986	11.9
119.08578	59.2
121.06470	7.0
121.10159	27.3
123.08039	23.0
125.05984	15.0
128.06215	7.0
129.07024	7.2
131.08563	28.8
133.08571	8.8
133.10110	22.3
135.08026	18.5
135.11696	6.7
137.09593	11.2
142.07790	8.3
143.08578	24.8
145.10109	38.3
147.08078	34.4
147.11679	7.1
149.09648	12.8
151.07481	12.2
155.08516	9.3
156.09341	8.4
157.10118	35.1
158.10693	6.6
159.08072	10.9
159.11685	27.7
161.09590	13.7
161.13246	8.6
163.11153	16.1
165.09111	44.0
167.08647	5.7
169.10172	10.4
170.10852	7.6
171.11641	21.0
173.09602	7.2
173.13237	15.8
175.11168	20.4
177.09203	6.5
180.11511	5.6
181.10083	10.6
181.12218	21.8
182.10800	7.6
183.11697	15.4
185.13292	5.7
187.11253	7.1
189.12729	6.7
190.13492	10.7
191.10666	5.0
191.14337	6.3
193.10262	5.1
193.12218	16.7
195.11679	14.5
197.13231	13.9
201.12741	12.2
203.14307	22.3
207.11722	9.5
207.13612	10.3
208.12564	5.5
208.14473	13.4
209.13232	12.3
211.11179	7.6
213.12764	5.9
219.13794	11.0
221.13380	9.2
221.15372	100.0
222.15681	10.4
234.16141	21.9
247.16962	30.6
259.17062	7.7
274.19244	7.8
285.18088	6.1
286.19275	8.1
287.20123	8.7
299.19998	22.7
312.20801	12.0
313.21597	9.9
321.22079	5.3
325.21640	13.0
340.23962	14.8
352.23926	38.2
387.25128	10.9
419.29416	11.3
427.28293	20.3
440.29175	44.8
520.35248	32.7
585.39520	6.2
600.41638	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01857	1.3
55.05501	4.0
56.05018	0.7
57.03431	0.7
58.99569	1.3
59.04976	0.4
65.03922	0.6
67.05495	15.2
68.05013	0.5
68.05809	0.4
69.03423	1.1
69.07063	5.3
69.46825	0.3
70.06583	1.2
71.04968	0.8
71.42146	0.4
71.42510	0.7
74.00667	3.2
76.02215	2.1
79.05485	9.8
79.05948	0.5
80.05006	1.8
81.03423	1.8
81.05792	0.3
81.07049	14.7
83.04967	1.5
83.06091	2.1
83.08606	1.8
84.04487	6.5
84.08105	0.4
85.01121	1.1
85.02906	0.6
85.06526	0.8
86.00642	1.9
86.99042	0.5
87.02655	0.4
88.02203	1.0
91.05469	7.7
93.07030	13.0
94.06554	1.4
95.04965	3.1
95.08600	8.3
96.08152	0.4
97.01090	2.1
97.02875	0.6
97.06525	2.6
97.10155	0.9
98.26034	0.4
99.01415	2.2
99.05562	0.6
100.02184	3.9
102.05507	0.6
105.07018	7.3
106.06546	0.9
107.04935	1.7
107.08587	7.8
108.08129	0.5
109.06513	2.1
109.08984	0.4
109.10146	4.7
111.02667	0.8
111.08088	0.8
112.02180	6.9
113.00567	1.0
113.02950	0.9
113.04219	0.7
114.03744	7.3
116.01657	3.2
117.06974	2.7
119.08569	6.5
120.08099	1.2
121.06483	0.8
121.10140	3.6
123.02647	0.5
123.08025	1.1
123.11698	1.1
124.02180	0.5
125.04202	0.8
126.03690	1.8
129.06670	1.8
130.05013	1.6
131.08554	3.2
132.08092	0.6
133.10127	3.7
135.02597	0.6
135.05406	0.4
135.08055	1.5
135.11690	3.0
136.03925	0.5
137.04216	0.8
137.05972	0.5
137.09592	1.4
138.03705	1.9
139.03226	0.5
139.11200	1.2
140.01486	0.4
140.05247	3.3
142.03177	0.6
143.08536	0.5
144.01173	0.4
145.06104	0.6
145.10132	2.7
146.09625	0.4
147.07956	0.6
147.11659	2.2
149.09581	1.2
149.13242	1.3
152.05284	1.1
153.06535	0.7
154.06812	0.7
157.10117	0.8
158.02734	0.4
159.07977	0.4
159.11707	1.7
161.13208	1.0
162.02206	1.5
162.12775	0.8
163.11166	1.4
166.06868	0.9
168.08405	6.4
169.04315	0.4
169.10075	0.7
171.08147	0.4
171.11638	0.6
173.09601	0.6
173.13217	1.2
176.28209	0.4
179.04846	0.8
179.08862	0.7
181.06039	0.7
185.03835	2.4
186.02185	0.4
187.05431	0.7
191.08878	0.5
191.14395	0.5
193.12230	0.7
194.09923	0.4
196.11580	3.1
199.07172	0.5
202.04015	0.6
203.12758	1.2
207.13771	0.6
209.15350	1.4
215.04865	1.7
216.05669	2.4
221.10138	0.4
222.14864	0.5
224.11018	13.2
225.09579	0.6
229.19611	0.6
231.04320	3.9
233.06004	1.1
236.16647	0.6
240.10597	0.4
241.06454	0.7
241.11317	0.7
242.12061	19.6
252.10609	0.5
254.12057	0.6
255.07890	1.7
256.13889	0.4
264.14117	3.2
269.09564	0.7
269.52869	0.4
270.10251	2.8
271.11011	0.7
275.20065	5.3
281.14404	1.0
282.15195	13.1
283.15353	0.7
292.22763	0.6
293.21069	1.4
302.95850	0.4
308.09198	1.3
323.20410	0.6
324.19913	0.6
332.20184	0.9
333.18826	2.2
344.13864	4.5
345.14804	0.9
350.21463	11.2
351.19894	1.4
368.22568	9.0
378.20740	0.7
384.17081	6.0
385.17847	1.7
407.23532	0.7
435.23273	0.6
453.24139	100.0
454.24472	2.8
479.25839	0.6
525.26080	5.4
582.28400	1.5
583.27112	0.4
600.29852	3.9
601.21899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01862	8.7
55.05498	1.8
56.05022	0.8
57.03434	6.5
59.04979	1.1
60.04504	1.1
61.02916	6.0
67.05489	1.4
68.99783	2.7
69.03419	32.9
69.07064	3.3
70.06588	3.7
71.04990	6.2
71.08624	42.2
72.08142	1.4
73.02912	7.3
79.05474	1.5
81.03407	31.2
81.07056	1.7
82.20833	0.6
83.01344	1.0
83.04942	0.7
84.08140	2.3
85.02894	100.0
86.09694	2.2
87.00819	45.4
87.04437	1.6
87.67083	0.6
91.03944	1.9
91.05458	1.3
93.07018	1.7
94.06570	0.7
95.05011	0.9
95.08578	1.6
96.08076	1.0
97.02879	45.4
97.06525	2.7
99.04448	14.5
99.08082	83.4
103.03902	0.9
105.01852	83.7
105.07013	1.4
109.02866	40.9
109.06507	0.8
109.10227	0.8
115.03906	1.5
117.01840	3.9
119.08533	1.0
120.08109	1.0
121.10137	0.7
123.02901	1.1
123.08050	0.9
127.03899	90.3
129.01859	3.4
129.12747	7.6
131.08543	0.8
137.05896	0.7
139.03874	1.2
141.01816	0.8
145.04944	36.9
146.04411	0.7
146.05948	0.7
147.02858	2.4
150.05533	0.9
152.07036	2.8
155.14296	1.8
159.01675	1.2
159.02881	16.7
161.06049	0.7
166.04913	0.6
173.15352	59.3
177.03922	1.3
183.02856	1.0
184.02542	0.7
187.14288	0.6
189.03917	2.3
212.16377	0.9
213.03931	11.9
215.07158	0.8
231.04973	34.1
249.06027	13.6
253.07063	3.8
256.31091	0.6
259.09525	1.6
270.16998	1.8
271.08075	2.4
287.05725	0.8
357.08179	1.0
374.21634	0.9
375.09140	1.2
379.07990	0.9
393.10098	1.5
419.34277	0.9
438.27866	1.0
529.46320	0.7
556.27411	0.7
582.35675	1.9
600.39728	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	599.4093
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
51.02363	2.0
52.21788	1.6
53.03934	3.0
55.05504	8.3
57.07068	4.9
59.05002	3.3
62.28547	1.3
63.61714	1.5
67.05502	15.2
69.03423	8.1
69.07055	14.8
69.85860	2.7
69.86275	8.1
77.98244	1.6
79.05495	16.3
81.03388	1.6
81.07052	22.6
83.04983	7.1
83.08614	7.3
84.04512	3.7
85.06544	4.2
88.52537	1.5
91.05475	25.0
93.07040	46.5
95.04959	12.0
95.08590	20.8
95.09142	1.8
97.06526	6.7
97.65651	1.5
98.20760	1.7
99.48454	1.4
105.07019	37.5
107.04929	2.4
107.08586	30.4
109.06520	7.2
109.10145	14.5
111.11680	4.3
113.09574	1.6
115.05459	3.4
116.06282	1.7
117.07009	9.3
119.08578	37.8
121.06493	6.4
121.10130	55.4
123.08073	17.0
123.11700	8.3
125.09637	5.0
128.06232	3.8
128.27094	1.5
129.06989	8.1
130.07770	4.4
131.08560	18.9
133.06512	2.9
133.10121	27.3
135.08076	11.4
135.11655	7.6
137.09601	6.1
138.07620	1.4
139.11157	3.7
141.06996	4.1
142.07765	10.0
143.08551	16.2
144.09299	2.6
145.06485	1.6
145.10112	28.7
145.38051	1.6
147.08051	10.4
147.11688	10.0
149.09601	20.3
149.13309	2.6
151.07547	17.1
151.11191	2.5
153.06999	3.1
155.08530	6.0
156.09317	8.3
157.10114	25.0
158.10951	4.1
159.08057	7.6
159.11699	18.6
161.09612	9.5
161.13268	5.2
163.11218	6.8
163.20673	1.9
165.09145	13.0
167.08481	4.1
167.10663	87.4
168.09348	2.8
169.10126	11.5
170.10948	4.2
171.11707	17.4
172.08893	2.6
173.09650	6.2
173.13226	12.0
175.11226	3.2
175.14838	6.9
177.09146	1.6
179.08609	2.1
180.09431	1.6
181.10060	7.7
181.12262	6.0
182.10966	4.8
183.11684	11.0
185.09625	3.1
185.13252	8.2
187.11203	6.6
187.14771	8.6
189.12761	8.0
191.14352	5.2
192.09464	4.0
193.10181	6.4
194.10886	3.4
195.11736	10.0
195.13383	1.8
196.12492	2.8
197.09663	2.6
197.11676	2.1
197.13185	9.4
198.14148	1.9
199.11182	4.4
199.14828	5.8
201.12759	2.8
201.16313	2.7
203.14349	6.2
205.10213	2.1
205.15904	2.3
206.10852	2.9
207.11728	7.2
207.13867	8.5
208.12445	3.7
209.13326	11.4
209.15215	2.5
210.13895	2.1
211.11192	3.2
211.14745	7.2
213.12680	2.5
213.16292	3.1
215.14349	7.5
217.15871	3.9
219.11713	3.7
220.12450	3.1
221.13315	6.8
221.15408	31.4
223.11140	2.0
223.14816	4.6
225.12825	4.0
225.16423	2.6
227.14395	3.0
231.11725	2.5
232.12384	2.1
233.13275	3.7
233.15338	43.3
235.14857	3.9
237.12764	3.5
237.16492	2.2
239.14357	2.6
239.17924	1.9
241.15927	2.2
241.19411	2.1
244.12569	1.7
245.13280	3.3
246.14148	2.4
247.14821	3.8
247.17027	3.5
249.16435	3.1
249.96329	1.7
251.14444	2.7
257.13251	2.5
259.14883	2.8
259.20560	2.1
261.16556	1.7
263.18015	2.8
265.16010	1.9
265.19574	1.9
269.13284	2.1
269.18973	2.8
271.20798	2.2
273.16110	1.9
273.18683	2.4
274.17242	2.5
275.18146	2.5
277.19547	1.7
283.20520	2.5
285.18597	2.9
287.20258	3.2
299.20169	6.7
313.21661	2.7
365.24881	3.5
377.24832	3.3
391.26251	5.6
393.24338	2.3
419.29559	2.3
507.34174	3.0
563.38824	3.8
571.41180	4.0
581.39917	28.4
599.40906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83443	2.1
53.03935	6.5
55.01873	3.1
55.05502	13.5
57.07068	10.7
59.04996	3.1
65.03942	5.1
67.05496	39.7
69.03428	8.9
69.07065	23.1
70.76814	5.1
75.45744	2.2
79.05486	30.1
81.03397	4.0
81.07051	45.2
83.04974	6.4
83.08615	4.2
84.04492	5.4
85.06529	4.9
91.05471	56.9
93.07038	82.8
93.07623	5.3
95.04955	24.7
95.08601	38.0
97.06516	8.1
103.05449	8.8
105.07026	89.8
105.18624	2.2
106.07878	2.5
107.05014	2.5
107.08588	57.4
109.02847	2.8
109.06519	13.4
109.10141	43.0
111.08048	4.9
111.53136	2.8
115.05441	8.7
116.06205	4.1
117.07003	33.4
119.08576	96.3
120.09296	2.6
121.06491	13.0
121.10130	100.0
123.08064	12.5
123.11705	13.4
125.05997	3.6
125.09627	3.6
128.06210	13.2
129.06982	17.4
130.07803	8.5
131.08557	57.8
132.09360	5.9
133.06480	5.5
133.10112	60.5
133.11069	4.0
135.08031	18.0
135.11670	26.2
135.28224	2.5
137.09610	8.6
137.71118	2.9
139.11168	6.0
141.06992	6.8
142.07771	13.2
143.08559	38.0
144.09372	8.2
145.06505	19.0
145.10107	81.5
147.08061	14.5
147.11687	24.1
147.56342	2.7
149.05959	5.6
149.09633	12.9
151.07597	7.2
151.11136	3.6
153.06973	5.6
154.07765	2.9
155.08569	19.6
156.09319	16.2
157.10106	49.0
157.11298	3.9
158.10951	5.5
159.08020	23.8
159.11676	45.9
161.09607	11.7
161.13261	10.8
163.07455	6.0
163.11192	7.8
165.06970	4.3
165.09090	6.9
167.08539	10.8
167.10672	39.9
168.09302	7.7
169.10097	22.4
170.10889	4.0
171.08044	4.4
171.11659	26.0
172.08803	3.9
172.12311	2.4
173.09624	14.4
173.13231	41.4
175.11171	7.6
175.14743	13.8
177.09100	11.0
177.12729	5.7
179.08556	8.0
180.09348	2.9
181.10086	11.3
181.12213	3.2
182.10947	8.6
183.08183	3.4
183.11664	21.2
185.09630	6.7
185.13240	18.3
187.07556	13.8
187.11201	9.4
187.14856	10.8
189.12798	7.9
189.16373	3.8
190.08093	3.0
191.14302	4.2
193.10147	7.3
194.10901	6.6
195.11670	13.0
197.09593	3.9
197.13264	21.0
198.10457	2.8
199.11217	4.9
199.14784	21.3
201.12714	17.6
201.16463	5.5
203.10635	3.3
203.14302	6.2
207.11710	10.4
208.12419	5.6
209.09683	4.4
209.13292	14.5
209.15070	3.2
210.10452	3.3
211.11163	6.2
211.14821	9.0
213.12810	6.1
213.16376	6.0
215.14215	19.5
217.10199	4.3
219.11894	3.1
219.13823	9.3
220.12440	3.1
221.13237	7.5
221.15379	13.1
223.11273	4.6
223.14812	7.6
225.12706	7.2
225.16328	5.3
227.10693	2.7
227.14348	6.4
227.17963	5.9
231.11690	3.3
233.13338	4.2
233.15370	16.4
235.14851	3.8
237.12762	3.6
237.16483	4.0
239.14372	4.1
239.17905	4.2
243.13860	5.4
244.12325	2.9
245.13313	4.6
247.16960	5.2
249.16467	3.5
250.13527	2.7
251.14211	5.9
251.17822	3.1
253.15657	2.9
261.14828	8.7
263.14529	3.0
265.19470	4.1
267.17392	3.0
277.15762	3.9
313.18002	5.1
327.19629	9.2
333.22034	3.5
367.22662	4.2
489.33676	43.8
543.19122	3.3
563.38965	3.5
581.39935	56.9
599.41968	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
56.13576	0.3
56.24204	0.3
57.03415	0.9
59.04995	0.9
62.99921	0.3
65.04726	0.3
66.45683	0.3
67.05503	2.8
69.03455	0.4
69.07056	0.6
71.04981	1.2
71.05634	0.8
73.02903	0.5
79.05502	2.0
81.03414	1.7
81.07036	2.1
83.04980	0.6
83.08607	0.8
85.02894	0.5
85.06536	0.4
91.05450	1.6
93.07042	1.9
95.04965	0.6
95.08607	1.1
95.96577	0.3
97.06532	0.5
105.07008	1.7
107.08599	1.2
109.02887	0.4
109.06524	0.5
109.10139	0.4
119.08587	1.0
121.10129	1.8
123.08163	0.4
129.06985	0.8
131.08582	1.1
133.10133	1.0
142.07738	0.4
147.11688	1.2
149.09596	1.7
157.10101	0.9
175.11174	0.7
193.12303	0.7
195.99718	0.3
200.11476	0.4
211.13252	0.4
225.14853	0.5
233.11560	1.0
240.91937	0.3
264.42041	0.3
265.14297	0.4
267.15945	0.8
273.18784	0.3
283.06461	1.5
283.15149	14.0
339.09024	0.5
339.17764	9.4
373.23807	0.5
373.65054	0.3
501.14380	0.4
599.33972	100.0
600.34302	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	598.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.01844	1.9
55.05471	1.4
56.05019	0.5
57.03403	1.4
58.06567	0.9
60.04493	1.3
61.02907	0.8
65.03909	1.0
67.05504	2.2
68.58154	0.5
69.03122	0.4
69.03421	4.1
69.07065	3.2
70.06586	3.7
71.04993	7.6
71.06963	0.4
71.59859	0.5
72.05290	1.1
72.08135	0.7
73.02880	0.4
79.05489	5.3
81.02966	0.6
81.03412	7.7
81.07050	8.7
83.04950	1.8
84.08096	1.4
85.02431	0.5
85.02900	8.5
85.06520	0.8
86.03227	1.2
86.09692	1.3
91.03970	0.5
91.05460	5.6
93.06481	0.9
93.07037	15.8
95.04961	7.8
95.08596	3.3
97.02902	2.4
97.06532	3.5
99.04431	3.5
102.05523	1.0
103.05446	1.5
105.07018	9.3
107.04955	1.2
107.08588	15.8
109.02872	4.2
109.06511	5.1
109.53669	0.4
110.07105	0.8
111.04400	0.5
111.08073	2.6
113.05956	0.6
117.06969	1.6
119.04932	11.7
119.08559	3.5
120.08037	0.7
121.02858	0.9
121.06496	6.7
121.09309	0.8
121.10132	11.4
123.04417	23.8
123.08033	1.8
124.07550	0.7
127.03915	4.2
127.07511	1.9
129.05508	0.6
129.06956	0.6
131.08557	1.3
133.10095	0.6
134.06049	0.5
135.08035	2.5
135.11696	3.7
136.07516	0.5
137.05978	0.9
137.09592	0.6
139.07523	1.1
139.11148	1.0
145.04910	0.7
145.10120	8.6
146.05968	2.7
147.04399	11.1
147.11676	1.5
148.07507	1.4
149.08337	2.6
149.09586	5.9
151.07533	0.9
152.07042	0.6
153.01830	0.9
154.02142	0.7
161.05981	0.7
163.11165	20.5
164.10699	25.2
165.05466	23.1
167.07019	0.6
167.10663	8.1
169.08601	8.8
173.09590	2.7
181.04915	1.0
181.12212	4.1
185.11700	0.8
191.10654	9.3
198.74193	0.5
209.11713	5.0
210.11232	100.0
211.11604	0.6
223.12212	0.6
227.12762	11.5
245.00613	0.5
252.08781	0.6
281.12976	0.9
287.05508	14.5
288.05807	17.4
289.06058	12.3
290.06314	8.9
311.20462	0.5
315.13281	0.6
353.15942	1.9
371.17090	2.6
372.16342	2.4
385.13950	1.6
418.14963	0.5
529.61792	0.5
534.27856	0.5
536.28339	0.8
552.27942	5.1
598.28479	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05507	2.0
56.05035	1.5
60.04242	2.3
60.04520	23.4
61.02913	1.8
62.43489	1.1
67.05508	3.5
69.03430	5.9
69.45745	11.8
69.98014	1.2
70.06580	12.0
71.04983	2.8
72.08165	3.1
73.02878	1.2
74.06084	1.8
75.58591	1.3
79.05470	7.7
81.03409	17.9
81.07056	3.9
83.04969	1.9
84.04499	3.2
84.08128	4.4
85.02905	14.5
85.03374	1.8
86.06030	1.3
86.09702	5.7
87.00809	1.6
91.05492	3.6
91.73141	1.3
93.07037	5.0
95.04965	5.0
95.08604	2.8
97.02912	6.8
97.06503	2.1
98.06067	1.7
103.05460	4.1
105.07032	3.2
107.04942	9.6
109.02879	5.1
109.10184	2.0
110.07179	1.7
115.05454	6.5
116.06313	1.6
116.07137	2.3
117.07011	16.6
119.08585	1.5
120.08098	9.0
121.06484	1.7
123.04391	5.0
124.05198	3.7
125.05953	1.7
127.03900	6.0
128.06172	1.7
129.07005	2.2
129.10222	1.6
131.04953	1.5
131.08542	4.4
133.06490	2.3
133.10124	1.6
135.11647	1.5
136.07573	4.4
144.05676	3.2
145.04927	2.7
145.05119	2.9
145.06476	40.5
146.06004	5.5
147.08057	1.6
148.07550	13.9
149.07953	2.4
155.06012	3.8
155.07117	1.6
156.05682	9.3
157.06451	1.6
159.08057	5.1
161.05963	4.1
163.03847	2.4
167.07018	52.7
173.05962	54.8
175.07576	2.3
177.05490	1.7
180.08661	5.0
184.05176	2.9
184.07397	1.4
187.07515	6.3
190.06236	35.4
191.07056	2.0
193.08569	3.1
202.06229	4.8
203.07004	7.5
205.08582	100.0
207.06656	1.6
209.08119	1.8
215.06790	1.7
217.08568	42.5
217.10641	2.5
219.08105	2.6
219.10103	2.6
219.39354	1.4
223.07610	1.3
223.09683	3.4
234.06972	1.4
235.09615	30.6
247.09679	5.8
248.08191	1.7
252.08667	3.1
265.10684	26.9
269.08109	1.8
271.09662	1.4
276.83298	1.4
278.24762	2.3
291.10184	1.5
296.25851	2.2
297.12122	1.7
303.13364	8.0
307.09686	1.4
309.99921	1.5
313.11432	1.5
314.12167	2.4
314.26968	3.2
315.08612	4.4
315.13229	1.8
330.10953	9.7
331.11755	3.5
332.27951	9.4
339.12469	1.8
350.28967	9.3
351.12183	5.5
364.56046	1.3
371.15009	2.9
374.28989	1.4
383.14847	13.7
385.13843	3.2
401.15805	9.4
450.19653	2.5
554.21075	1.5
580.33142	4.9
598.26099	1.9
598.34320	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	598.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
55.05508	1.3
59.06100	2.0
60.04515	6.4
60.75629	0.9
61.02923	1.3
62.83393	0.8
65.03932	2.6
66.03470	2.1
67.05495	2.6
69.03442	1.2
69.07068	1.3
70.06584	6.8
71.59821	1.3
72.08149	1.3
77.60514	0.8
79.05486	3.4
80.05013	1.2
81.03413	2.8
81.07058	1.3
82.63415	0.8
83.04974	1.2
84.08131	3.5
85.02880	1.5
86.09706	2.6
87.99297	0.8
88.49146	0.7
91.05473	4.3
93.03413	3.9
93.07042	3.2
93.35605	0.8
94.06547	6.7
95.04932	1.8
95.08582	1.2
96.04485	0.8
96.08138	0.8
97.02901	2.3
97.06528	1.0
101.07144	3.1
103.05455	2.2
104.00258	0.7
106.06551	1.3
108.04456	3.5
108.08086	4.5
109.02741	0.7
110.07178	1.5
112.77898	0.7
116.04981	3.3
118.06549	2.4
119.08570	1.2
120.04468	3.0
120.08083	15.3
122.06034	9.4
122.65584	0.8
124.07584	6.7
127.03934	1.5
129.10231	1.0
131.08565	1.0
134.06003	4.1
136.07578	9.8
137.05951	0.9
138.05426	0.9
144.04442	3.9
146.06000	100.0
147.06480	1.0
148.07564	48.5
149.07944	1.0
150.05450	1.5
150.09151	1.9
152.07050	1.3
160.03937	1.1
160.07565	7.6
164.07047	2.8
166.08644	2.4
168.06572	7.3
170.08195	0.9
172.03889	6.4
174.05496	2.8
176.06947	1.0
184.07455	1.3
186.05496	1.3
190.04965	22.6
195.09277	0.9
196.09856	1.0
197.10687	1.2
207.09293	1.4
208.09778	1.7
209.10759	2.7
210.11411	4.6
210.83649	0.7
211.08662	1.0
211.12321	1.7
213.10374	0.9
214.70021	0.8
222.08087	0.8
222.11597	1.0
223.08899	0.8
223.12236	6.8
224.09236	1.1
225.10295	2.5
225.13861	7.4
227.11859	1.4
230.32864	0.7
234.07497	1.9
235.08604	1.2
236.09456	2.8
237.10271	2.1
238.10898	4.0
249.10172	0.9
250.11046	2.0
251.11827	6.7
252.08653	13.2
252.12555	2.1
253.09541	1.1
253.13361	21.9
253.16019	1.3
255.11150	0.9
264.08908	1.9
265.09790	1.0
266.10452	1.2
267.11398	1.6
271.14349	2.0
278.10416	2.0
279.11276	14.6
280.11810	1.1
281.09686	1.2
281.12842	28.9
281.15787	1.8
283.06104	1.3
285.12405	1.8
287.10382	1.4
287.13596	0.9
295.10855	1.3
297.12311	7.8
299.10297	3.5
299.13928	7.4
303.13235	4.9
307.10785	15.6
311.10059	0.8
313.15414	1.6
315.13364	14.4
315.16736	0.5
323.10165	1.4
325.11841	6.5
329.11160	3.2
332.27887	1.4
339.13437	1.3
341.11621	4.6
341.14780	5.1
350.28958	2.8
357.14648	1.6
367.12762	3.3
373.13840	1.1
385.13925	72.2
386.14120	1.3
411.11823	16.9
422.20612	2.4
429.12799	3.6
448.18405	1.7
450.20279	8.4
468.21115	4.1
476.18103	23.0
492.21115	1.7
494.19067	3.5
510.22241	1.5
536.20569	4.2
538.17908	1.1
554.21161	11.2
562.17920	2.5
580.19189	16.4
598.34613	3.7
607.57581	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	597.3028
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03939	1.6
55.05512	14.9
55.05756	2.1
57.03433	7.2
57.07062	2.4
62.83665	1.2
67.05164	2.1
67.05501	27.4
69.03409	1.4
69.06715	1.5
69.07063	16.9
69.44029	5.7
69.44454	4.4
71.04980	1.2
71.08614	1.5
71.94910	1.1
79.05485	11.3
81.03405	9.3
81.07048	31.3
83.04990	2.2
83.08613	8.4
85.02918	2.7
89.85970	1.3
91.05479	9.1
93.07042	11.3
95.04934	2.0
95.08600	25.3
97.06538	2.1
97.10143	4.3
98.98459	23.5
99.04433	2.1
105.07029	7.3
107.08581	6.4
109.02876	8.6
109.06503	2.0
109.10170	9.0
119.08575	8.6
121.10129	8.0
123.08065	1.6
123.11706	5.8
127.03880	1.8
131.08546	1.6
133.10104	5.9
135.11687	2.7
143.08556	1.9
145.10095	3.6
147.11681	2.6
149.09596	1.7
149.13203	1.5
155.00984	3.2
155.08521	1.6
157.10103	3.4
159.08006	1.2
159.11679	1.7
159.30414	1.0
161.13211	1.3
163.06084	1.2
163.11096	1.3
163.14879	1.2
167.10652	2.3
169.10172	1.1
171.11705	2.3
175.14798	2.3
185.13197	1.2
195.11719	3.1
199.11127	1.2
205.15421	1.1
207.11621	1.5
221.15372	3.4
233.15384	1.5
245.22684	2.5
247.14726	1.5
261.03741	9.1
263.23746	3.1
335.07227	2.6
337.27350	100.0
579.38641	1.4
597.39392	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	597.1445
Annotation	Peltatoside
Peak:m/z	Relative Intensity
53.69674	0.3
55.01856	0.7
55.05498	0.4
56.05014	0.4
57.03428	2.0
61.02922	3.1
65.03925	0.3
68.99783	0.5
69.03419	2.1
69.50620	2.6
70.06242	0.5
70.06586	5.9
71.43052	0.3
72.08155	1.8
73.02905	6.5
74.06068	0.3
75.58503	0.3
81.03397	0.9
84.04473	0.6
84.08124	2.0
85.02898	5.5
86.09691	1.7
87.05597	0.3
91.03930	1.5
91.05476	0.5
93.03378	0.4
93.07046	0.3
95.04967	0.4
95.08576	0.4
95.67827	0.3
97.02877	4.1
97.48820	0.3
99.40193	0.3
103.03901	0.4
103.05399	0.4
104.05358	0.4
105.06986	0.4
109.02888	0.9
110.07138	0.9
111.00768	0.9
115.03916	1.6
115.44425	0.3
119.08494	0.3
120.08096	0.7
121.02856	1.1
123.04391	0.4
127.03918	1.5
129.10204	1.2
133.04932	0.5
136.07564	0.5
137.02315	2.9
137.05878	0.3
145.02716	0.4
145.04936	1.0
146.05995	0.4
148.07484	0.3
149.02370	0.3
153.01822	2.9
163.03859	0.7
163.05998	0.7
165.01767	1.8
166.02554	0.4
183.02888	0.9
187.03889	0.3
201.05376	1.6
219.06674	0.4
229.05014	3.7
247.06017	0.7
257.04468	3.1
274.04892	0.4
285.03888	1.1
303.04953	100.0
304.05338	1.2
315.04984	1.6
327.04773	0.4
337.09647	0.4
345.06027	1.1
369.05914	1.1
381.05963	0.3
447.09354	0.4
465.10336	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	596.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.01862	9.6
55.05257	4.0
55.05509	52.8
55.05777	2.8
55.74284	2.5
57.03437	22.0
59.04983	7.7
59.38447	2.2
61.02927	8.9
65.03952	3.0
67.05505	100.0
69.03427	7.1
69.07066	12.4
70.43255	2.0
71.01360	4.2
71.05000	5.4
71.60209	3.2
73.02916	5.6
75.04477	2.4
79.05488	30.0
79.42685	2.0
81.03410	15.2
81.07054	40.9
83.01353	3.1
83.04978	13.5
83.08618	23.0
84.08125	2.5
85.02894	26.2
85.06538	6.0
86.09702	2.5
87.04465	10.0
91.05475	17.7
93.07034	17.4
94.54052	2.4
95.04967	9.8
95.08598	15.9
97.02897	9.5
97.06538	5.8
97.10169	37.5
99.04472	2.0
103.03914	11.6
105.07053	7.4
107.04956	5.0
107.08588	21.9
109.10151	86.0
111.04441	6.3
111.08084	5.9
117.07047	3.4
119.08597	12.2
121.06528	2.7
121.10134	6.4
123.08071	4.5
125.09627	45.2
129.06990	3.3
130.88525	2.1
131.08549	7.2
133.10095	5.6
135.08055	2.8
135.11679	7.5
137.09566	5.4
143.10635	10.9
145.10143	8.6
145.26035	2.3
147.08046	2.9
147.11768	2.4
153.12766	11.6
155.10651	7.4
157.10150	2.5
163.11153	16.5
173.09496	2.7
173.11743	42.3
173.13177	3.9
181.12256	10.9
189.11223	3.8
191.10706	5.6
193.12215	2.6
199.13298	13.8
209.11697	13.0
217.14380	7.7
227.12730	13.0
229.14351	73.8
230.14522	3.0
245.13947	3.2
257.13843	26.1
267.15836	3.5
273.70215	2.3
274.47531	2.6
283.15421	13.3
301.16446	44.7
319.17487	12.2
381.14441	2.5
399.23776	6.6
438.67770	2.2
495.43961	2.5
547.54352	2.8
615.56732	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	596.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16095	0.7
53.03922	0.8
55.01854	1.1
55.05505	5.8
56.05027	2.4
57.03429	1.5
58.06612	0.7
64.94054	0.6
67.05202	0.6
67.05500	4.5
68.28426	0.7
69.07065	5.7
70.06590	3.5
71.04981	0.8
71.08624	7.0
72.08146	1.9
73.56080	0.6
79.05494	6.7
81.03423	2.0
81.07053	14.5
82.06573	2.0
83.04996	0.7
83.07336	4.6
83.08620	0.9
84.08135	1.1
85.06549	0.8
86.06055	8.1
91.05470	4.0
93.07051	1.2
95.04945	1.3
95.08618	2.2
96.08121	5.7
97.06518	7.3
98.06052	1.4
98.09686	100.0
98.98455	0.8
99.08085	5.5
105.07027	3.6
107.08602	1.7
108.08138	0.8
109.10155	1.0
116.10724	53.7
117.06973	0.8
119.08587	3.1
121.10123	1.7
122.09654	2.5
123.11713	1.2
124.07580	3.1
125.00014	2.7
133.10130	1.5
142.12263	4.2
143.10669	1.5
147.11665	7.9
149.09630	0.8
152.10661	0.8
157.10138	2.3
165.12764	2.3
173.11726	9.0
175.11171	2.1
178.06281	1.3
178.15921	3.3
193.12257	1.8
196.07339	16.8
196.16946	29.3
196.18750	1.5
211.13414	0.9
212.16432	1.0
214.18007	14.9
241.08688	0.9
252.09938	7.1
264.23260	2.1
266.21143	7.5
267.15948	1.3
270.10986	20.0
270.13760	1.3
279.95477	0.8
282.24362	0.9
290.21146	1.8
294.14612	4.9
303.18008	6.2
308.22125	3.1
311.12756	1.1
326.23257	15.0
337.14444	1.9
343.15488	1.0
344.24319	10.3
350.17154	7.0
355.15506	1.6
364.28519	1.4
368.18304	66.3
424.21921	3.4
424.30539	25.1
436.24756	2.1
442.31589	1.7
462.22394	2.3
480.23575	6.5
498.24597	38.7
578.30835	1.7
596.32043	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	596.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01855	2.0
55.05509	6.7
56.05020	2.5
57.03418	3.1
60.04513	0.9
64.00291	0.7
67.05492	6.9
69.03419	1.9
69.07057	6.9
70.06583	8.5
71.04985	2.0
71.08622	8.0
71.60228	1.0
72.08142	2.7
73.02912	0.8
79.05489	7.2
81.03409	3.2
81.05733	0.7
81.07049	14.3
82.06566	2.4
83.04965	1.7
83.07362	3.5
83.08606	1.4
84.08118	1.7
85.02894	2.1
85.06540	1.4
86.06059	10.9
86.09695	2.5
89.06024	0.7
91.05467	7.5
91.38911	0.7
93.07030	4.6
94.88957	0.7
95.04959	3.2
95.08619	3.8
96.08134	6.6
96.08731	1.0
97.02890	1.9
97.06525	13.9
98.06050	1.9
98.09681	100.0
98.98454	1.3
99.04461	0.9
99.08075	5.6
105.07031	6.6
107.04934	1.1
107.08597	4.5
108.08091	1.3
108.08864	1.0
109.06524	1.8
109.10159	2.3
111.04415	1.0
116.10717	54.1
117.09068	1.1
118.11037	1.6
119.04906	0.8
119.08572	6.7
121.06476	0.8
121.10141	4.1
122.09627	1.6
122.10505	0.7
123.08051	1.9
124.07603	3.8
124.99200	0.8
124.99956	4.5
125.06016	0.8
127.03927	1.4
129.06989	3.3
131.08533	2.0
133.10112	3.1
134.09619	0.9
135.04471	0.7
135.08002	1.4
135.10367	0.7
135.11705	1.0
137.09605	1.2
138.09178	1.0
142.12265	3.4
145.10104	2.1
147.07993	1.3
147.11667	8.9
149.09612	6.5
150.09946	1.5
152.10670	1.7
153.12750	0.9
157.10092	5.7
163.03967	1.0
163.11180	2.4
165.12746	1.6
169.08595	2.6
170.08871	1.2
171.11728	0.8
173.11716	12.6
175.11218	5.0
178.06290	1.3
178.15863	1.2
180.03865	0.8
184.07336	1.9
186.67444	0.9
189.12764	1.6
190.13141	1.7
191.10654	1.0
191.14342	0.9
193.12234	2.2
196.07304	18.4
196.16942	10.4
196.47716	0.8
207.13741	4.0
208.14189	3.6
214.18008	5.6
227.12749	2.3
228.13130	1.2
229.14279	0.8
236.16385	1.4
241.08592	2.1
252.09955	7.9
259.09616	1.4
270.10995	22.7
272.98215	0.8
285.16940	1.1
290.21338	1.4
294.14514	1.5
303.18039	2.2
308.22156	16.6
311.12701	2.4
314.74741	0.7
326.23233	26.9
337.14432	2.2
344.24216	8.9
350.17365	3.3
355.15366	2.7
368.18292	23.9
406.19965	6.9
406.29510	3.2
424.30508	24.8
442.31509	2.6
462.22369	5.4
465.58395	0.8
480.23550	48.4
498.24649	14.1
520.56335	0.9
578.31226	2.4
596.22980	1.1
596.31610	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	596.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98720	0.5
53.03937	1.1
55.01875	0.8
55.05497	1.1
56.05025	0.5
57.03440	0.6
60.04525	3.9
65.03956	0.8
67.05499	3.1
69.07054	1.1
70.06586	6.8
70.73135	1.6
71.04974	1.7
72.08152	1.5
79.05494	7.7
80.05016	1.8
81.03410	2.0
81.07054	3.3
82.06563	0.9
83.04969	0.5
83.08607	0.6
84.04510	0.7
84.08142	3.0
85.02887	1.6
85.06546	0.7
86.09699	3.7
91.05467	6.1
93.07042	7.5
94.06561	1.9
95.04968	2.2
95.07360	0.7
95.08610	2.3
96.08138	1.2
97.02888	1.2
97.06532	1.5
98.06034	0.5
103.05467	6.1
105.05752	1.3
105.07041	1.4
107.07281	0.6
107.08589	1.4
108.04471	1.1
108.08114	4.4
109.02893	0.9
109.06565	1.0
109.10159	0.8
110.06011	1.0
110.07232	0.6
110.09684	1.3
112.41982	0.5
117.06992	0.6
118.06514	3.1
118.95161	0.6
119.04963	0.5
119.07315	2.5
119.08575	1.1
120.04452	0.5
120.08099	33.9
121.02901	0.6
121.06506	0.5
121.10155	1.1
122.06056	1.1
122.09667	0.7
123.08083	1.4
123.11640	0.6
124.03952	0.6
126.09135	1.8
127.07518	0.6
128.10760	0.8
129.10249	1.2
133.10173	0.8
134.06061	0.6
136.07578	7.4
137.05940	0.5
138.05507	1.9
138.09106	3.4
140.10690	2.8
144.10249	0.7
145.10103	0.7
146.05997	29.6
146.49565	0.5
147.04401	1.3
147.06728	0.5
148.07561	100.0
149.09677	0.5
150.09154	1.0
158.09601	0.7
162.11252	0.7
163.03912	0.5
164.07063	0.9
166.05003	1.6
166.08633	6.2
174.05470	1.0
176.12921	0.6
182.09570	0.6
191.08232	0.7
197.10730	1.2
198.07684	1.0
198.09311	1.0
199.08647	1.0
200.09512	0.8
201.10222	0.7
208.09669	2.8
209.10628	0.7
210.09128	1.4
211.08568	1.6
211.12088	1.0
212.09441	1.8
213.10243	3.8
214.10905	0.7
221.10733	0.6
222.09239	0.5
223.08597	0.9
223.12627	0.5
224.08974	2.4
225.10257	4.1
226.11002	1.5
227.08192	1.2
227.11798	2.8
228.08940	0.7
229.09766	2.0
234.07668	0.5
235.41612	0.5
236.09276	0.5
237.10292	0.6
238.11110	0.7
239.08064	1.1
239.11794	7.1
240.08948	1.7
241.09688	5.5
242.10458	2.6
251.11896	1.1
252.08653	35.5
253.09709	5.2
254.10484	3.7
255.11337	4.3
257.04755	0.6
265.09717	1.6
267.11261	9.3
268.12085	2.5
270.11234	8.9
273.12436	0.9
277.09821	0.9
278.08136	0.6
281.09406	0.9
283.10883	3.8
285.12396	1.8
287.05508	0.8
288.05862	0.8
293.09116	0.6
295.07645	0.9
295.10779	12.5
299.10464	1.0
300.10944	3.7
301.11810	30.6
310.22766	0.5
311.09860	0.8
311.13058	0.8
313.11795	75.7
314.12247	0.6
339.09735	1.0
357.10800	0.9
377.18588	0.7
380.02530	0.5
383.07962	0.5
392.19446	0.8
402.18124	0.8
405.18021	1.8
420.19098	4.5
430.17468	1.3
436.18695	0.5
448.12491	1.0
448.18665	17.5
466.19724	6.1
474.16568	0.9
490.19836	1.3
492.17450	1.3
506.38333	0.7
508.20667	6.4
524.20288	0.9
524.39130	2.0
534.18768	4.6
536.10565	0.6
537.10333	0.6
542.37048	1.6
552.19690	15.1
560.38000	0.8
578.17114	1.1
578.36554	0.6
595.33575	0.7
596.17407	0.7
596.36023	0.8
597.14832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05514	0.8
56.96856	0.8
60.04519	9.5
61.72902	0.8
65.52606	0.7
67.05489	3.5
68.04983	1.0
68.05867	0.9
69.03420	1.4
69.07045	1.3
70.06584	21.0
70.64470	2.9
71.04984	1.9
72.04475	0.9
72.06959	0.8
72.08145	3.3
78.00726	0.9
79.05480	8.1
80.05018	2.3
81.03403	2.3
81.07043	3.4
83.04976	1.0
84.04519	1.2
84.08135	3.4
85.02908	3.1
86.09695	5.7
91.05474	7.1
93.07037	7.9
94.06554	2.0
95.04957	3.5
95.08594	2.1
96.08124	1.5
97.02869	4.1
97.06541	1.6
101.08369	0.9
103.05455	6.7
105.05743	1.4
105.07034	0.9
106.06562	1.2
107.08558	0.8
108.04465	1.7
108.08114	7.5
109.02869	1.3
109.10160	0.9
110.06053	0.8
110.07152	1.3
110.09676	3.0
116.07106	1.3
118.06544	3.3
118.11073	2.0
119.07334	2.6
120.08089	41.4
121.10099	1.1
122.09647	1.0
123.08051	0.9
124.03951	1.0
124.07584	1.1
127.03904	1.5
127.08678	1.9
129.10226	2.2
133.10017	0.9
135.08095	0.9
135.11674	0.9
136.07555	6.0
138.05493	3.5
138.09134	4.0
140.10704	1.2
145.10016	0.9
146.06003	2.3
148.07553	100.0
150.09116	1.5
152.07092	1.9
155.06958	1.2
155.08130	7.5
165.05309	0.8
166.05005	2.6
166.08623	8.3
170.08101	1.5
196.09900	1.6
198.09286	1.1
199.08701	1.3
200.09502	1.1
208.09692	2.7
211.08652	2.3
211.12184	1.5
212.09436	2.2
213.10179	4.0
213.54475	0.8
220.06187	1.0
222.09102	1.0
224.09402	2.6
225.10149	5.4
226.10954	2.0
226.15471	1.6
227.11768	4.3
228.09132	0.9
229.09642	1.1
235.08905	1.0
237.10210	1.8
239.08209	1.0
239.11717	10.4
240.08913	1.9
241.09749	4.5
242.10472	1.8
249.10310	1.5
250.08664	2.0
251.11768	1.4
252.08640	28.4
253.09648	5.8
254.10535	1.6
254.14935	1.2
255.11354	4.5
255.15532	1.0
265.09698	3.1
267.11273	11.6
268.16644	1.4
270.11276	1.8
273.12396	1.2
281.09293	1.2
283.10818	7.2
285.12424	1.4
287.05264	1.3
288.05887	1.1
293.09192	1.0
294.24197	0.9
295.10736	13.5
300.10968	1.6
301.11774	35.6
311.10080	1.1
312.25348	1.2
313.11777	84.6
314.12076	1.2
327.09802	2.4
330.26312	2.7
339.09518	4.9
339.23840	1.3
340.24179	1.1
348.27515	2.5
367.23373	2.7
368.23727	1.1
392.19788	0.9
402.18250	1.3
420.19333	6.2
430.17673	2.0
448.18658	16.1
452.32202	1.9
466.19675	6.5
474.16483	1.9
480.32159	1.0
481.31921	1.5
490.19733	1.5
508.20804	4.7
524.35779	1.2
534.19043	5.3
542.36658	1.4
552.19568	7.1
578.17413	2.2
578.31580	2.1
596.23907	1.1
596.32697	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21804	0.7
53.03928	1.7
60.04517	10.7
67.05484	3.8
69.03430	1.3
70.06583	5.0
70.78912	0.8
71.09138	0.8
71.59870	1.4
72.08138	1.3
75.47295	1.0
78.13489	0.8
79.05487	8.6
80.05016	1.8
81.03404	1.8
81.07037	2.9
84.08124	2.5
85.02892	2.5
86.09706	2.4
87.00806	0.8
91.05471	5.5
93.05770	0.9
93.07034	7.5
94.06565	2.9
95.04954	3.0
95.08589	1.8
96.08144	2.3
97.02902	2.0
97.06553	0.9
103.05454	7.0
105.05762	2.1
105.07029	2.3
106.02931	0.9
107.08585	1.3
108.04484	1.8
108.08101	4.5
110.09680	3.5
118.06541	2.4
119.07314	2.2
120.08090	37.8
124.03941	0.9
127.03922	1.8
134.06007	1.1
136.07574	5.7
138.05507	1.7
138.09111	5.6
140.10693	1.3
148.07553	100.0
149.07918	1.8
166.04973	2.4
166.08641	7.6
173.12881	1.0
181.04953	1.2
184.07626	0.8
198.09219	1.4
199.08577	1.6
200.09412	1.4
208.09686	2.6
211.08659	2.8
211.12288	1.1
212.09415	1.8
213.10205	3.9
221.10855	1.0
223.08736	1.0
223.12036	0.8
224.09381	2.6
225.10248	5.1
226.10774	1.3
227.11803	3.8
228.08908	1.2
229.09737	2.0
229.13277	1.0
237.10249	2.7
239.08194	1.7
239.11807	9.6
240.08856	2.0
241.09644	4.4
242.10486	2.3
249.10172	1.0
250.08623	1.7
250.11067	1.0
250.60216	0.9
252.08633	32.3
253.09758	6.6
254.10591	2.2
255.11143	4.2
265.09665	2.4
267.11267	12.0
268.12045	1.7
270.11249	2.4
273.12149	1.2
283.10733	5.4
285.12296	1.9
287.05566	2.4
288.05911	1.9
295.10754	14.5
301.11810	33.0
302.12424	1.0
312.25266	2.2
313.11774	78.6
314.12045	1.5
327.09653	2.9
330.26385	5.9
339.09750	3.1
348.27460	3.9
420.19189	4.8
430.17511	1.8
448.18637	15.2
466.19843	6.8
474.15390	1.1
490.19614	1.6
508.20761	2.8
534.18323	2.3
547.23151	1.2
552.19843	7.3
578.17310	1.9
578.31433	3.6
596.32642	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	595.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.05303	0.9
55.05511	10.3
57.03431	8.9
64.04863	1.0
65.03930	2.0
67.05499	37.3
67.32211	1.1
69.03428	1.3
69.07058	10.0
69.32236	11.6
71.04974	1.8
71.08624	1.3
79.05486	20.5
81.03409	14.1
81.07049	34.1
82.07393	1.2
83.04991	2.5
83.08614	3.8
85.02897	2.1
85.06531	1.3
91.05473	12.3
93.07026	24.3
94.09277	1.0
95.04967	3.3
95.08595	26.7
97.06500	1.2
97.10149	1.8
98.20818	2.9
98.98456	26.9
102.51653	1.3
105.07013	8.3
107.08591	12.9
109.02875	10.6
109.10130	14.6
116.98624	1.3
117.06957	2.0
119.08612	6.9
121.10120	7.7
123.11713	3.8
127.03909	1.9
131.08557	4.5
133.10130	5.8
135.11674	5.8
145.10106	2.9
147.11667	2.5
149.13223	2.7
151.11226	1.3
155.01019	3.4
159.11742	1.3
161.13275	3.0
163.06024	1.7
173.02109	2.2
173.13268	2.1
187.14801	1.3
243.21042	1.7
261.03705	11.9
261.22067	5.7
304.26208	4.1
317.24792	3.3
335.07404	2.1
335.25763	100.0
335.46960	1.2
336.26239	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	595.1654
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01846	0.2
57.03432	1.9
58.12878	0.2
60.76987	0.1
61.02917	1.7
64.47952	0.1
68.99798	0.4
69.03409	0.4
69.54409	1.4
71.01352	0.2
71.04990	10.2
73.02889	0.7
73.23932	0.2
75.04470	0.4
83.04950	0.4
85.02901	13.1
87.04451	0.3
91.03939	1.0
97.02897	1.1
98.19322	0.2
99.04422	0.3
101.33935	0.2
105.03370	0.2
107.04971	0.3
109.02859	0.3
111.00793	0.7
111.04404	0.4
121.02852	2.0
127.03882	0.5
129.05473	3.4
129.06934	0.3
133.02829	0.4
137.02362	0.9
145.04956	0.3
145.06540	0.3
145.07582	0.2
147.04361	0.4
147.06506	0.8
153.01804	3.3
157.06439	0.4
165.01813	1.4
171.04431	0.4
183.02951	0.8
185.05957	0.3
203.07109	0.2
204.65561	0.2
205.18971	0.2
213.05420	1.3
213.29970	0.2
216.85597	0.2
228.95554	0.2
231.06520	0.3
241.04944	0.6
258.05118	1.0
259.05991	0.3
287.05478	100.0
288.05750	1.2
299.05664	0.2
299.54251	0.2
329.06393	0.4
353.06415	0.4
449.10666	0.4
612.78424	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	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.08905	0.3
53.03944	0.8
54.13235	0.3
55.01860	0.6
55.05508	0.6
56.05022	0.3
56.96539	0.6
57.03435	2.1
57.32363	0.3
59.04978	0.4
60.04506	1.2
61.02911	1.1
64.80762	0.3
65.03929	0.4
67.05488	0.9
68.99795	0.3
69.03426	2.0
69.07047	0.5
69.35101	3.1
70.06591	4.8
71.04990	11.8
72.08139	1.5
74.06040	0.4
75.04472	0.6
79.05486	1.5
81.03426	1.7
81.07051	1.3
83.04967	1.3
84.04488	0.7
84.08147	2.3
85.02903	17.6
85.07700	0.4
86.09719	2.2
87.04446	0.6
90.94833	0.3
91.05468	1.3
93.01743	0.3
93.07029	1.2
95.04971	1.1
95.08584	0.9
97.02885	2.4
97.06526	1.6
98.06102	0.3
98.21512	0.5
98.97601	0.5
99.04431	0.5
101.07133	0.4
103.05447	0.6
105.03415	0.3
105.07034	0.8
107.04943	1.4
107.08592	0.8
109.02869	1.0
111.00762	0.4
111.04378	0.4
112.97160	0.4
116.98660	0.4
118.06558	0.6
118.11034	0.7
119.04910	0.7
119.08561	0.6
120.08115	2.6
121.02863	2.8
121.06498	0.3
121.10156	0.6
123.04427	0.4
125.09648	0.3
127.03899	1.3
129.05481	3.8
129.06935	0.4
129.10226	0.8
131.08522	0.4
133.02863	0.6
136.07591	0.7
136.08571	0.3
137.02386	0.8
137.05965	0.8
140.10738	0.6
145.04958	0.9
145.06555	0.8
145.07611	4.0
145.70529	0.3
147.04379	1.3
147.06509	0.9
148.07576	1.8
153.01823	3.2
158.11702	0.4
161.05939	0.6
165.01819	2.0
165.05479	0.5
167.07071	1.0
171.04434	0.4
181.04947	2.2
183.02875	0.9
185.05919	0.5
201.05370	0.4
203.03468	0.4
205.08614	0.5
213.05467	1.1
215.07144	0.4
217.08548	0.3
219.01666	0.5
231.06557	0.8
237.02704	0.6
241.05023	0.7
252.08881	0.7
258.05258	1.2
287.05484	100.0
288.05814	1.1
295.11154	0.4
299.09012	0.3
301.11703	0.4
313.11777	1.5
354.30661	0.4
364.54202	0.4
393.92709	0.3
402.23163	0.3
415.13907	0.8
416.14728	1.9
449.10284	0.5
551.17523	0.9
560.17694	0.4
577.38379	0.4
595.16534	1.1
595.28711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.05462	0.3
57.03434	1.7
61.02916	1.8
68.99786	0.8
69.03408	0.4
70.06577	0.5
71.01341	0.2
71.04988	11.5
71.28888	0.2
71.29199	0.4
73.02891	0.9
73.65240	0.2
75.04465	0.6
79.05449	0.2
81.03423	0.2
83.04978	0.7
85.02899	14.4
87.04450	0.3
89.77296	0.2
91.03946	1.0
97.02893	0.8
105.03350	0.4
107.04933	0.4
109.02801	0.3
111.00780	0.8
111.04430	0.5
121.02864	3.1
127.03875	0.4
129.05479	3.5
133.02763	0.3
135.04433	0.3
137.02338	0.9
145.06392	0.3
147.04402	0.5
147.06474	1.0
153.01808	4.2
157.06468	0.4
165.01808	1.8
183.02905	0.8
185.06062	0.2
213.05537	1.1
231.06546	0.8
241.04936	1.1
258.05228	1.3
259.06097	0.4
269.04373	0.2
287.05475	100.0
288.05835	1.6
299.05350	1.4
300.06369	0.3
311.05188	0.3
325.07077	0.5
329.06406	0.8
353.06390	1.1
383.07245	0.3
413.08493	0.4
430.80548	0.3
431.09595	0.6
449.10730	1.2
523.25806	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	595.1448
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
50.08612	0.2
50.35002	0.2
51.97442	0.2
53.03955	0.3
55.01861	0.5
55.05508	0.3
56.05025	0.3
57.03415	0.4
57.52139	0.2
65.03923	1.1
67.05497	0.8
68.99784	0.4
69.03429	0.9
69.07066	0.5
69.28662	1.3
69.29089	0.7
70.06246	0.2
70.06595	2.7
71.04996	0.4
72.08155	0.8
73.02895	0.3
79.05492	0.8
81.03413	0.9
81.07050	0.8
83.04980	0.4
83.08624	0.2
84.04535	0.2
84.08124	0.9
85.02900	0.9
86.06061	0.3
86.09697	0.9
91.05480	9.6
93.07056	0.6
95.04964	0.8
95.08592	0.5
97.02901	0.8
97.06522	1.1
98.09709	0.5
98.21489	0.4
99.04486	0.2
105.07018	0.4
107.04967	0.6
107.08590	0.9
109.02887	0.6
109.10143	0.6
110.07214	0.3
111.00810	0.5
119.04939	24.7
119.08569	0.4
120.08090	0.6
121.02846	1.8
121.06493	0.2
121.10151	0.3
123.04455	0.3
127.03922	0.4
129.06990	0.2
133.02852	0.3
135.04417	0.9
136.07625	0.2
137.02362	0.5
137.06049	0.2
137.09610	0.3
141.58350	0.2
145.02852	0.5
145.06435	0.3
147.04404	100.0
148.04771	1.3
153.01823	2.1
157.06442	0.2
159.11633	0.3
161.06003	0.5
163.03905	2.8
163.23882	0.2
165.01840	1.1
165.05441	0.6
171.07845	0.2
183.02888	0.5
185.05943	0.3
189.09081	0.5
213.05434	1.1
215.07019	0.6
217.08653	0.3
226.52547	0.2
231.06554	0.5
241.04988	0.7
258.05261	0.6
259.06061	0.3
259.09692	0.6
269.04431	0.2
270.11066	0.4
279.66595	0.2
281.13568	0.2
287.05487	51.1
288.05896	0.9
291.08594	0.5
299.05353	0.3
309.09680	4.4
324.11230	0.2
326.24368	0.2
329.06686	1.0
330.06699	0.2
366.16632	0.3
375.12225	0.2
490.18915	0.2
517.70135	0.2
563.26471	0.2
595.31714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96194	1.3
55.01865	4.2
55.05510	16.2
57.03434	9.2
57.15074	1.5
64.94840	1.6
67.05504	21.8
69.03421	4.1
69.07065	7.9
70.06568	2.5
71.04990	4.4
71.05555	4.5
76.65633	1.4
79.05487	25.2
81.03413	52.9
81.07050	23.0
83.04971	6.4
83.08613	19.3
85.02911	2.1
91.05463	17.3
93.07038	15.8
95.04962	25.3
95.08596	10.8
97.02882	3.9
97.06530	3.8
97.10159	16.6
105.07021	14.8
107.04950	14.2
107.08591	13.6
109.06508	10.7
109.10166	5.7
111.04429	2.7
111.08079	4.3
117.07037	5.0
119.08576	12.7
121.06506	10.2
121.10148	9.4
123.08059	4.4
123.11669	1.9
125.09621	15.8
129.07007	8.1
131.04926	1.7
131.08569	11.2
133.06502	4.2
133.10143	5.7
134.36772	1.6
135.08089	6.2
135.11646	2.6
137.09608	2.2
141.47632	1.6
143.08626	2.2
145.06482	5.5
145.10094	5.7
147.08064	5.7
147.11694	7.9
149.09604	5.0
151.11130	1.7
153.09094	4.7
155.08553	2.7
157.06523	2.1
157.10048	7.9
159.11676	2.6
161.09573	2.5
163.11110	3.6
165.12802	1.8
169.10156	1.8
171.08107	1.7
171.11684	3.6
173.11888	1.7
173.13266	3.4
175.11194	6.5
183.11699	2.1
185.09624	2.1
189.11224	5.1
191.10617	1.6
193.12254	17.1
199.11203	2.8
199.13208	1.6
205.12292	2.7
211.13242	2.2
215.14328	2.6
219.13821	5.3
223.13345	2.7
227.12682	3.4
233.15387	4.5
237.12752	3.0
241.14384	2.2
245.15363	2.2
249.14899	1.9
255.13713	2.7
267.15912	34.5
273.14795	5.8
275.16537	2.3
293.17392	2.6
339.23233	3.2
349.21643	6.1
357.24512	2.9
367.22687	17.0
385.23737	32.6
403.24796	11.6
403.51404	1.4
435.53229	1.5
441.26132	8.0
459.27362	100.0
477.28424	71.3
478.28714	1.7
489.45264	1.9
491.30057	11.1
509.31216	4.6
541.34088	3.9
594.36810	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	594.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05298	1.1
56.96560	3.4
58.83638	1.1
59.27865	1.0
61.96237	1.1
66.29753	1.1
67.05497	4.2
69.07059	1.7
70.21137	4.2
79.05483	2.3
81.07056	3.9
84.96035	3.6
91.05473	1.9
93.07041	3.3
95.04943	1.2
98.97605	2.3
98.98456	3.1
107.08588	1.4
107.70612	1.3
109.10126	1.6
116.98649	2.2
118.06505	1.3
124.99987	11.0
134.09653	11.4
136.21336	1.2
143.00214	1.9
144.08102	5.3
145.08873	3.1
160.11208	85.5
161.01236	4.0
162.99171	2.3
178.12276	5.7
182.99734	1.3
186.11873	1.2
201.00792	3.1
253.39896	1.2
258.08893	100.0
264.96823	2.2
282.98004	3.2
300.99182	2.1
313.20425	3.5
331.21555	4.4
483.23016	1.4
594.35339	1.5
595.24707	19.2
595.33929	2.4
613.25507	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	594.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10236	0.2
55.05501	0.4
56.96554	0.9
58.84000	0.1
67.05496	1.1
69.07052	0.3
75.96213	0.1
79.05477	0.7
81.07043	0.7
83.08588	0.2
84.96012	0.6
91.05472	0.7
93.07025	0.4
95.08602	0.6
98.97564	0.4
98.98454	4.6
102.97049	0.2
105.07024	0.6
106.06525	0.3
107.08587	0.6
109.10148	0.2
116.98625	0.3
117.07008	0.8
118.06535	1.6
119.07326	1.2
119.08624	0.2
124.99990	15.7
128.06163	0.2
130.06544	0.4
131.07281	0.2
132.08083	0.3
134.09641	15.2
143.00099	0.3
143.01067	0.2
144.08064	8.5
144.98074	0.2
145.08846	4.9
158.09596	0.2
160.11201	100.0
161.01228	0.6
161.11589	1.1
162.99211	0.2
178.12263	6.0
179.02345	0.2
182.99677	0.2
189.16438	0.1
201.00711	0.5
229.82835	0.2
230.20209	0.2
252.46440	0.2
258.08878	94.2
259.09305	0.8
264.96924	0.2
273.51617	0.2
282.97870	0.4
297.67938	0.2
300.99008	0.4
313.20529	0.4
331.21515	0.5
331.99002	0.2
332.12466	0.2
576.34503	1.2
594.35510	1.3
595.24585	2.5
613.25946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2753
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
52.97470	0.3
56.01810	0.3
57.07067	0.5
62.95360	0.3
69.61882	1.1
69.62316	1.3
71.92096	0.3
81.07025	0.3
91.05502	0.3
93.07044	0.4
101.24730	0.3
109.10126	0.4
119.96440	0.3
220.64207	0.4
222.19456	0.3
238.89465	0.3
388.17160	0.5
389.17627	1.2
401.17807	0.6
402.18500	0.9
403.19107	2.9
404.19846	1.5
405.20782	2.2
415.19098	0.4
416.20020	0.9
417.16327	1.0
417.21524	3.2
418.21860	1.6
419.22220	3.7
430.18036	1.0
431.18134	8.2
432.18668	2.2
433.24213	6.2
434.24777	1.5
444.19632	0.9
445.19843	10.1
446.20639	4.7
447.21661	5.7
449.23166	0.4
459.21301	3.9
460.22546	13.0
461.23236	11.0
462.23517	0.5
463.21497	0.6
473.23627	2.1
474.24115	0.9
476.25629	1.0
477.22595	0.9
487.25070	0.7
489.27246	0.4
491.24860	0.6
492.25143	1.5
505.21912	6.7
518.23169	0.6
519.23730	1.4
533.25446	28.8
534.25891	1.0
561.25153	0.5
564.23596	0.9
565.28088	0.8
578.25482	0.4
593.27509	100.0
594.27698	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	593.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.0
55.01875	5.5
55.05505	25.0
57.03430	3.2
57.07061	7.9
59.04980	4.0
60.04515	4.1
61.02910	5.4
67.05495	36.2
69.03432	20.3
69.06715	4.1
69.07063	54.9
70.06569	10.9
70.06903	2.4
70.15079	2.1
70.27785	8.1
71.04978	10.0
71.08624	3.8
72.08160	4.2
79.05480	20.0
81.03408	13.5
81.07050	100.0
82.03753	2.6
83.04967	9.1
83.08592	14.2
83.74311	2.2
84.04489	5.2
84.08135	5.8
85.02895	31.7
85.06538	15.4
86.06053	4.3
86.09666	4.9
87.00798	9.0
91.05446	16.9
93.07030	42.7
94.06537	3.7
95.04958	12.2
95.08597	78.9
97.02866	15.8
97.06521	28.2
97.10150	5.5
98.09687	4.2
99.04449	7.4
99.08077	8.0
100.11228	3.7
103.51122	2.1
103.59929	2.2
105.01849	7.7
105.07017	13.6
105.46371	2.6
107.08585	39.3
109.02874	11.4
109.06509	5.6
109.10154	26.6
109.66476	2.1
110.06083	2.5
110.07149	2.6
111.04455	2.5
111.08069	16.7
111.11697	10.1
112.07603	2.6
113.50507	2.8
116.10719	5.4
119.08551	11.1
120.08084	3.9
121.02824	3.3
121.06452	4.7
121.10143	18.5
123.08031	5.6
123.11694	40.4
125.09618	3.1
125.13297	3.7
127.03914	22.7
127.11205	4.0
129.10179	4.0
131.08571	4.8
133.10112	9.3
135.08049	3.2
135.11661	20.0
137.05922	4.3
137.13232	28.5
140.10683	4.2
143.08488	3.1
145.04919	6.7
145.10077	3.6
147.04398	4.8
147.08005	2.6
147.11598	6.2
148.07553	3.5
148.85117	2.3
149.09618	3.6
149.13255	34.8
153.01878	2.8
153.12720	20.2
155.08604	3.5
155.14311	11.0
159.11613	3.3
161.13271	5.6
163.03922	7.2
163.11218	2.5
163.14835	9.9
165.09033	2.9
165.12753	3.8
167.14328	7.6
169.10146	2.4
171.13716	5.4
173.15338	5.7
177.16359	4.5
179.03362	2.8
179.14328	2.6
187.06056	2.5
187.14778	2.6
189.12656	2.8
213.03854	4.1
215.06885	3.9
217.19527	2.5
231.05157	4.6
239.23625	3.2
249.05585	4.5
251.06920	2.5
254.33656	2.7
259.09689	3.4
265.04950	2.2
273.25668	4.4
275.13876	2.8
279.26788	8.6
291.26822	18.1
294.05176	4.4
295.05933	4.8
297.27780	5.0
309.27847	37.8
313.03461	5.0
322.04620	5.3
323.05521	4.0
327.28876	7.7
345.16800	2.9
345.24377	2.4
345.29959	8.1
347.16830	3.0
355.07938	3.7
365.17648	5.5
373.10767	6.6
399.10437	5.1
401.10248	12.4
413.18719	3.4
419.11102	10.4
431.13516	2.4
431.20453	5.5
455.18845	15.6
473.19714	4.3
521.36603	3.6
539.37317	7.0
557.38605	6.4
593.21338	15.2
593.32153	6.9
594.23346	4.3
609.30176	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	593.1864
Annotation	Torosaflavone B 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03925	1.0
55.01853	2.6
55.05510	4.2
55.31796	0.7
56.96563	0.8
57.03422	2.5
60.04517	1.2
61.02929	6.1
67.05508	4.8
68.99810	0.7
69.03410	3.2
69.07055	5.7
70.06578	2.7
71.04983	1.5
71.60683	1.3
72.08150	1.1
73.02898	2.8
79.05489	5.2
81.03419	2.5
81.07059	6.5
83.04970	2.4
83.08600	1.2
84.04501	1.1
84.08157	1.2
85.02898	8.6
86.09675	1.3
89.92619	0.7
91.03946	3.2
91.05468	2.4
93.07006	3.4
95.04955	1.8
95.08599	3.6
97.02893	4.5
97.06526	11.7
97.10133	0.8
99.08090	1.1
100.11267	1.4
100.18239	0.7
103.05420	0.8
105.07014	1.8
107.08563	3.4
109.02876	1.3
109.10148	1.9
111.04446	1.7
119.04885	1.0
119.08594	1.9
121.06483	0.7
121.10134	1.7
123.08100	1.2
127.03893	2.3
129.07042	0.9
131.08598	1.6
133.10124	1.0
135.11647	0.8
137.02306	1.2
137.05928	1.3
137.09619	0.9
145.04962	0.7
145.10143	1.5
147.04391	1.6
147.11700	1.4
149.13295	0.9
153.01828	3.7
154.12256	1.1
159.11691	0.8
163.03825	0.8
165.01775	1.1
168.13834	0.7
175.07539	0.9
187.03804	0.7
201.05490	1.0
217.04993	4.8
229.04971	3.0
237.05554	0.7
243.06569	2.0
245.04404	6.5
257.04477	2.1
269.04453	3.9
269.17365	0.9
271.06097	2.0
273.03870	8.4
283.05862	0.9
285.03973	4.7
295.05991	0.9
299.05481	15.8
301.03430	19.6
302.04175	2.0
303.04977	8.6
309.27899	1.1
311.05350	0.9
313.03403	51.5
322.04831	0.8
323.05530	1.0
325.07162	4.4
326.04202	2.2
327.05206	1.1
327.08643	4.8
355.08102	56.5
373.10828	1.3
381.09708	5.4
399.10736	41.1
401.10226	3.3
413.12305	14.3
419.11209	2.5
431.13351	100.0
432.13815	1.0
538.37421	0.9
543.14935	1.7
556.37933	0.9
592.44305	1.6
593.15558	0.9
593.23499	0.9
593.30878	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	592.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99606	0.5
53.14206	0.6
55.05502	0.9
56.79483	0.5
57.03415	0.8
59.92312	0.5
67.05490	3.4
69.07059	0.9
70.06563	0.8
71.60947	0.8
78.14395	0.5
78.59144	0.6
79.05475	2.6
81.03421	0.8
81.07054	2.8
83.08572	0.7
87.83008	0.6
88.06494	0.5
91.05463	1.9
93.07034	1.0
95.08613	1.6
98.98458	4.0
105.07019	0.6
105.15557	0.5
107.08598	1.2
109.10130	1.1
118.06526	0.6
119.07320	0.8
119.08581	0.7
121.10174	0.8
124.99992	10.9
130.06407	0.5
131.08556	0.5
134.09639	13.4
144.08067	6.3
144.88983	0.5
145.08870	4.2
160.11200	84.4
161.11497	0.6
178.12254	6.7
191.10837	0.5
234.08727	0.7
252.57767	0.5
258.08881	100.0
337.27271	5.6
337.37628	0.6
592.34412	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	592.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03213	0.1
53.69007	0.1
55.05515	0.2
67.05508	0.7
68.83076	0.1
69.07067	0.3
70.06361	0.5
70.06654	0.1
79.05475	0.4
81.07033	0.4
83.08591	0.1
83.87691	0.1
84.25004	0.1
91.05464	0.5
93.07026	0.3
95.08605	0.3
98.98457	2.7
101.14335	0.1
105.07033	0.3
107.08583	0.3
108.94753	0.1
115.05434	0.1
117.05779	0.2
117.07012	0.3
118.06509	0.8
119.07352	0.6
119.08569	0.2
121.10119	0.1
124.99993	8.0
128.06223	0.2
130.06516	0.2
132.08121	0.1
133.10185	0.1
134.09639	9.1
143.01019	0.2
144.08066	4.2
145.08856	2.3
158.09590	0.1
160.11201	56.1
161.11499	0.3
178.12257	4.6
258.08878	100.0
259.09296	0.6
268.95911	0.1
332.12607	0.2
335.25607	0.1
337.27463	0.8
574.32910	1.1
592.33954	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	591.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.05512	5.1
56.05032	3.1
57.03423	0.9
60.04520	15.6
61.02917	1.2
64.06980	0.7
69.03424	1.5
69.07066	1.0
70.02948	2.9
70.06585	17.0
71.06947	0.9
71.59737	0.9
72.08150	68.1
74.06070	4.4
78.71740	0.7
81.03405	2.8
83.04945	0.8
84.04502	5.5
84.08144	6.0
84.95995	0.8
85.02901	3.8
86.09702	95.4
87.05589	14.3
87.10041	0.8
88.03987	3.5
91.05462	2.1
93.07022	0.7
95.04951	1.7
96.08128	2.0
97.02871	2.1
99.05581	1.1
100.03965	1.0
101.07133	2.5
102.05537	3.3
105.03376	1.0
109.06524	0.9
110.07140	0.9
110.09663	0.7
111.04380	0.9
112.07589	0.7
113.10771	1.0
114.09164	20.7
115.08691	1.2
115.41112	0.8
119.04922	1.6
120.06543	2.1
120.08080	0.8
123.04453	0.7
127.03925	2.5
127.05029	6.7
128.10709	2.8
129.10248	4.3
130.04991	1.6
132.10194	0.9
138.09129	1.6
141.10234	4.6
145.06073	2.2
147.04388	10.0
156.10204	1.2
157.06123	1.4
157.09724	2.1
159.11278	100.0
166.08557	0.7
167.08170	0.7
169.09752	1.4
173.05562	3.6
183.11295	6.5
185.09325	0.9
187.10770	29.6
192.07587	1.0
199.10779	1.0
201.00691	2.2
201.12318	11.4
201.96165	0.6
210.12321	1.0
213.12404	0.8
215.13911	4.2
226.11847	1.6
227.10240	1.4
227.17548	6.1
229.11957	3.2
233.14973	7.5
235.13310	1.5
236.04343	0.9
240.13379	2.7
244.12883	4.5
254.11404	0.9
255.17055	2.9
258.14468	2.6
267.15674	0.8
268.12863	1.3
272.12402	5.3
282.18182	1.1
286.13956	14.6
296.12296	0.9
312.15430	1.4
312.18979	0.9
313.14893	2.9
316.14880	0.8
324.11795	2.0
330.16339	1.9
341.14502	9.0
341.18115	1.4
342.12808	0.8
348.17706	0.8
355.16107	4.2
358.23334	0.7
359.15579	24.0
369.13455	1.1
369.17636	2.2
373.17203	3.4
387.18744	13.0
405.19553	3.0
409.20850	1.8
426.23587	5.1
427.21732	2.1
436.21634	1.0
437.20041	1.3
444.24445	12.9
454.22897	11.8
472.24033	16.3
480.51892	0.8
526.31018	0.7
555.27295	0.9
573.28949	7.2
591.20648	1.7
591.29382	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	591.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.2
53.03939	5.4
55.01873	8.9
55.05509	11.0
57.03438	20.6
59.04979	1.7
60.04512	2.7
61.02921	79.3
62.73769	2.0
65.03944	2.3
67.05501	20.6
69.03422	36.8
69.07051	3.5
70.06589	36.2
70.61737	6.1
71.01334	5.4
71.04978	7.3
72.08150	15.9
73.02912	26.9
74.06052	2.4
78.16312	1.7
79.05483	21.6
81.03410	81.0
81.07050	16.0
83.04953	11.5
83.08608	12.3
84.04478	4.2
84.08146	21.6
85.02898	100.0
86.06059	2.6
86.09687	15.5
87.04447	3.6
88.03963	2.0
91.03946	49.6
91.05470	23.9
93.07044	18.2
95.01304	3.1
95.04962	58.5
95.08587	10.1
96.05296	2.3
97.02274	4.0
97.02882	66.9
97.06514	5.2
97.10159	5.2
99.04446	9.4
101.02345	6.7
102.05553	3.2
103.03931	15.2
103.05439	2.8
105.07021	17.0
107.04943	14.6
107.08564	11.3
109.02865	20.3
109.06500	6.8
109.10152	3.9
110.07132	5.3
111.04427	7.9
111.08074	6.7
113.02356	1.9
115.03909	5.8
115.05418	2.4
116.07036	3.2
117.07006	7.1
119.04919	3.1
119.08562	14.1
120.08096	7.7
121.02875	3.2
121.06493	11.3
121.10131	11.0
123.04420	30.9
123.08086	4.9
125.05940	2.0
125.09610	4.9
127.03902	29.2
129.05464	3.5
129.07028	9.6
129.10223	11.5
131.04921	4.4
131.08560	10.6
133.06459	6.4
133.10092	5.4
135.04391	4.8
135.08058	4.3
135.11670	5.1
136.07556	5.9
137.05960	6.0
137.09601	4.3
139.03850	2.3
143.08560	4.4
145.04964	22.0
145.06447	5.3
145.10129	13.5
147.04353	14.3
147.07997	5.4
147.11668	10.2
149.05989	6.3
149.09596	7.5
151.03929	2.2
157.06436	3.0
157.10121	8.4
159.06494	3.5
159.07899	1.8
159.11685	3.4
161.05978	6.5
161.09514	4.0
161.13235	3.0
163.06000	6.2
163.07362	2.3
163.11143	12.4
171.04504	2.8
171.08107	3.2
171.11713	4.3
171.92740	2.1
173.09570	4.4
175.04015	2.3
175.07565	2.0
175.11154	7.2
177.12700	1.9
183.06450	4.5
187.07451	2.7
187.11090	1.9
189.05458	5.3
189.11221	3.3
189.12810	7.3
191.10663	3.1
193.12225	26.3
201.07555	2.3
205.12206	4.7
207.13750	5.0
211.13239	14.7
213.12621	3.2
217.12242	7.2
219.13780	2.5
223.13300	2.8
231.13808	3.4
235.13257	58.5
246.14969	3.0
247.13148	4.1
249.14803	9.2
253.14299	9.4
255.13808	2.6
259.13205	16.1
267.15872	39.9
269.11853	1.7
273.14832	28.8
277.14377	11.1
283.13223	7.8
285.17017	5.4
289.14395	4.4
291.15753	2.5
301.14343	30.9
303.04807	4.4
309.16953	40.2
315.16010	3.6
319.15283	9.5
325.13971	2.6
333.16882	2.7
337.16357	6.0
343.15259	2.8
345.16876	3.0
351.18066	6.0
363.17831	4.9
375.18042	32.0
393.18979	20.3
411.20230	15.1
417.18829	2.6
429.21133	5.1
453.20987	3.5
464.16696	2.4
519.22437	2.9
537.23383	2.5
553.19824	1.9
591.22009	11.6
591.38330	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	590.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.3
56.75991	3.5
57.03424	17.7
57.07072	44.2
59.62111	4.1
67.05501	21.9
69.07051	10.5
70.54294	11.2
71.08627	28.3
79.05500	12.4
81.03411	61.8
81.07062	23.8
83.08604	21.4
85.10167	16.6
91.05467	19.9
93.07053	11.3
95.04955	16.7
95.08614	23.2
97.06524	3.5
97.10184	5.1
105.07032	9.8
107.04997	3.9
107.08603	5.3
107.71085	5.1
109.10189	8.1
119.08569	13.6
121.10154	4.7
129.07021	5.0
133.10156	10.7
135.11691	4.8
145.10123	4.5
147.11748	7.2
157.10220	7.1
170.68675	3.3
175.11201	8.0
193.12259	19.5
239.23807	4.5
241.19577	5.1
259.20563	10.7
260.20822	6.5
267.15881	100.0
267.18588	7.7
313.27347	96.5
314.27734	10.4
363.02191	4.4
505.38785	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
54.36142	2.3
55.05510	15.7
57.03424	9.1
57.07069	44.3
67.05497	42.0
69.07058	17.1
71.08623	32.6
71.59391	2.9
71.59800	2.6
72.29502	3.2
79.05482	30.6
81.07053	43.0
83.08608	14.7
85.10175	15.1
91.05473	46.1
93.07028	33.9
95.04945	5.2
95.08597	43.8
97.10178	7.5
98.17442	2.5
99.08104	4.0
105.07018	47.8
107.08592	18.5
109.10123	17.6
117.07009	13.0
119.08569	44.3
121.10121	16.1
123.10925	2.9
123.11720	5.7
128.06200	2.9
129.06992	7.9
131.08546	22.3
133.10126	38.4
135.07979	2.6
135.11710	17.8
137.13341	2.8
143.08551	7.6
145.10141	19.0
147.11688	42.1
149.09665	3.4
149.13229	9.3
157.10124	8.9
159.11627	14.2
161.13245	34.3
161.14450	4.2
166.97566	2.4
171.11722	10.9
173.13239	8.9
175.14827	15.8
185.13232	13.4
199.14787	4.1
231.21109	11.3
239.23669	5.9
240.04160	2.8
241.19487	41.9
259.20560	91.5
277.21829	3.1
283.90298	3.3
313.27344	100.0
315.23132	9.0
324.76694	2.7
333.24194	48.6
465.69650	3.2
571.46893	5.3
589.40350	3.8
589.49304	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	590.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
53.83028	0.5
55.01860	1.0
55.05509	3.6
57.03424	0.6
60.04517	2.4
61.02914	0.8
65.03926	0.5
67.05489	3.4
69.03414	3.4
69.07042	2.0
70.06243	0.5
70.06591	3.2
71.04977	1.4
71.08629	3.1
71.60596	0.7
72.08139	1.0
73.02916	0.8
79.05060	0.5
79.05471	3.0
81.03400	4.1
81.07058	4.6
83.04966	3.6
83.08598	0.6
84.04485	1.3
84.08121	1.8
85.02891	4.0
85.06512	0.5
86.05573	0.8
86.06061	12.2
86.09678	1.4
87.00813	1.4
91.05457	2.1
93.07040	2.8
94.06577	0.5
95.04938	2.2
95.08610	3.6
96.08125	4.3
97.02874	2.7
97.06503	2.1
98.06052	1.1
98.09082	0.6
98.09682	7.5
99.04472	1.3
99.08067	3.4
101.06006	3.2
105.01844	1.0
105.07018	2.6
107.08588	2.8
108.08112	1.1
109.02892	3.5
109.06512	1.1
109.10156	2.4
110.09674	0.7
111.04433	4.5
114.09142	0.5
115.05463	0.6
116.10724	18.9
117.06990	0.6
119.08542	3.0
120.08092	0.8
120.08930	0.5
121.10124	1.6
122.02744	0.6
122.09648	1.2
123.08038	1.2
123.11716	0.8
124.07587	1.1
126.09119	0.7
127.03892	5.7
129.01865	0.6
129.05463	2.4
129.07019	0.8
129.10216	0.8
131.08551	0.8
133.10112	1.7
134.09647	1.4
135.11674	1.2
137.05937	0.8
137.09624	1.0
140.10699	2.7
142.08623	9.2
142.12259	1.6
143.10654	3.3
145.04898	0.6
145.10091	0.9
147.02925	0.7
147.07965	0.6
147.11668	0.9
149.13225	0.6
153.01822	0.6
155.07010	1.9
158.11703	0.9
159.02907	1.0
160.11241	0.6
161.09595	0.5
161.13258	0.8
162.12735	1.0
163.03842	0.9
163.11182	0.6
164.10675	4.2
173.02303	0.6
173.08083	1.5
174.84927	0.5
178.12320	0.6
180.13841	0.9
182.15367	4.0
184.13266	0.5
190.12289	3.2
198.14899	2.0
203.17870	0.8
208.13326	5.5
208.58060	0.6
213.03854	0.6
214.18016	4.1
215.07043	0.7
225.11269	0.6
226.14355	29.2
231.05008	1.8
244.15424	100.0
245.15758	0.8
246.11209	0.5
258.08884	1.2
259.09668	1.4
324.21542	2.1
324.25241	0.5
329.12247	0.6
337.22360	0.5
342.22717	15.1
347.13254	0.7
448.21539	1.0
474.19702	1.1
492.20724	10.5
536.35577	3.1
537.83276	0.5
554.36774	4.0
572.37592	2.0
590.27814	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	586.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14173	1.4
55.05507	2.5
57.07076	34.2
58.78235	1.2
63.87699	1.4
67.05497	2.6
69.07069	2.0
71.08626	28.6
71.61198	1.6
73.06551	9.1
79.05495	1.8
81.07054	3.1
82.97729	1.2
83.08617	2.8
85.10181	17.8
86.09773	1.5
87.04461	6.8
89.06031	100.0
91.05472	2.4
93.07077	1.9
95.08571	1.7
97.10168	3.5
99.11723	3.0
105.07030	2.7
107.07069	3.8
107.08601	1.8
107.89258	1.5
113.13258	3.0
117.09149	5.8
119.08592	2.0
130.08669	4.0
131.07050	3.1
131.08533	1.9
133.08607	54.4
155.17931	4.9
172.19199	1.4
177.11206	20.1
177.12634	1.8
183.38708	1.6
199.20573	2.0
221.13850	4.3
239.14806	1.8
243.23201	6.5
283.17520	2.9
287.25803	3.5
343.06430	1.4
415.25372	3.4
420.52017	1.7
569.42346	6.2
586.45068	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	589.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01869	2.8
55.05504	1.2
57.03433	1.2
60.04510	1.6
61.02911	1.3
61.71003	0.5
65.03934	0.6
66.04713	0.7
67.05499	1.4
68.21982	0.4
68.99787	0.9
69.03425	9.3
69.07062	0.8
70.06583	3.5
71.04972	0.8
71.44386	0.7
71.44727	1.0
72.08143	1.6
73.02900	1.4
79.05494	3.1
80.16534	0.5
81.03413	9.3
81.07042	2.3
82.39240	0.6
84.04512	0.7
84.08132	1.7
85.02899	17.3
85.06510	0.7
86.09705	2.1
87.00828	4.7
91.05476	4.1
93.07027	1.9
94.04176	3.3
95.04964	1.8
95.08588	1.6
97.02888	6.3
99.04443	1.6
103.05460	1.3
105.01871	4.0
105.07027	6.6
107.04935	1.3
107.08595	0.7
109.02870	8.2
109.06523	2.2
109.10152	0.8
110.07158	0.7
115.05433	3.9
115.22577	0.5
117.01834	0.9
117.06994	1.8
119.04996	0.7
119.08574	3.2
120.08107	0.9
121.06507	0.8
121.10133	0.8
122.03647	7.4
123.08092	1.4
127.03906	13.9
128.06204	1.6
129.06984	2.7
131.04907	2.4
131.08513	1.0
132.05725	2.7
133.06470	4.4
136.07562	1.5
137.05969	100.0
138.06331	0.8
140.10703	0.9
141.06949	0.7
144.05666	0.8
145.04947	3.5
145.06465	1.6
145.10165	0.6
146.03622	1.3
146.07269	0.5
147.02821	1.2
147.04385	1.3
147.08055	3.2
149.05994	2.6
151.03900	0.7
151.07495	1.3
155.04933	1.1
156.05687	0.7
157.06438	0.9
159.02888	4.3
159.08040	2.2
160.05188	2.8
161.05966	16.3
161.07239	1.1
163.03888	0.8
163.07547	1.2
164.07120	1.0
165.06911	0.9
171.08104	0.8
172.05127	0.7
175.07538	32.8
177.05492	0.6
179.07031	1.9
180.09483	0.6
184.05154	1.6
187.07549	9.0
189.03951	0.6
190.07813	2.1
191.06940	1.0
191.08513	6.6
192.09270	0.6
199.07541	7.0
202.07797	3.3
203.08542	7.3
205.06503	1.0
207.08072	0.6
208.08858	0.7
213.03874	0.6
213.08908	0.6
215.08630	1.0
217.08525	1.1
218.07260	1.1
219.08034	10.7
220.08833	2.4
229.08504	1.1
230.07187	0.9
231.04991	1.4
231.08003	10.3
232.08827	2.1
233.09563	1.3
235.07515	1.1
235.11130	1.2
236.08365	1.8
237.09132	0.8
241.08559	0.8
247.07513	5.1
248.08342	4.8
249.09142	1.2
251.10649	14.1
258.06854	0.8
259.03317	0.5
259.07507	6.8
260.08328	2.7
261.09109	1.0
263.10687	5.9
264.07751	0.9
265.08545	1.7
271.14410	0.5
273.09128	0.9
275.07129	0.7
276.07803	3.8
277.08569	3.2
279.10141	10.5
280.10962	1.2
281.12277	0.5
291.06744	0.5
291.10126	15.2
292.10864	1.9
293.08124	2.2
295.09573	0.8
295.13132	1.4
296.10410	0.8
303.10117	1.3
308.10464	1.9
311.12750	29.3
312.13101	1.0
315.10117	0.8
321.11148	1.8
323.12747	24.6
333.11099	0.6
335.12750	2.2
341.13867	1.5
353.13770	1.2
553.35242	1.2
570.36804	0.7
571.36615	0.9
588.40790	2.3
589.25037	3.1
589.40778	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.3
57.07067	5.5
66.12605	3.1
67.05496	13.5
69.03429	4.5
69.07062	9.4
79.01113	3.1
79.05477	11.6
81.07052	15.8
91.05437	16.6
93.07053	23.4
95.04946	3.1
95.08604	26.8
96.16535	3.4
105.07047	29.6
107.08588	18.8
109.06528	4.8
109.10133	7.6
117.06985	4.5
119.08575	29.3
119.23898	3.4
121.06509	5.7
121.10134	19.4
123.08067	13.5
128.06226	3.3
129.07050	5.0
131.08560	13.2
133.10152	15.3
135.08011	3.7
135.11658	6.4
137.09624	6.2
141.06946	3.5
142.07764	9.3
143.08548	15.2
144.09372	3.1
145.10124	14.2
147.08038	17.5
147.11780	7.0
151.07521	14.2
155.08513	5.0
156.09334	7.9
157.10094	21.8
159.11679	9.6
161.13242	3.4
163.11234	6.5
165.09117	27.5
169.10107	9.3
171.11682	16.4
173.13309	6.3
179.08539	4.7
181.10159	4.0
182.10971	3.1
183.11679	8.6
185.13261	12.4
187.14772	4.3
189.12738	4.9
193.10156	4.9
194.10948	5.2
195.11685	9.7
196.12389	4.2
197.13232	9.4
199.14706	3.4
203.14317	13.6
203.52299	3.3
207.11865	5.3
207.13800	7.6
209.13197	13.3
211.14758	5.4
221.13306	5.3
221.15326	52.3
223.14828	6.8
233.13243	6.4
235.14803	6.7
239.18025	3.3
241.72354	3.0
257.19177	4.0
261.16306	4.7
295.20526	4.0
375.26810	5.5
385.29086	3.8
403.30017	10.7
503.34988	5.3
516.16687	3.4
518.01697	3.3
528.41266	3.2
565.40356	29.0
583.41644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3249
Annotation	Caracurine V
Peak:m/z	Relative Intensity
53.03943	0.9
55.01886	0.6
55.05518	1.6
56.96575	1.1
57.03440	0.8
67.05501	5.4
69.03435	2.1
69.07069	2.4
70.06611	1.1
71.05006	0.9
71.60332	1.0
79.05499	3.8
80.77967	0.6
81.03403	6.5
81.07068	4.6
83.05002	1.1
83.08637	2.3
85.02914	2.0
86.09713	1.6
91.05478	3.7
93.07043	3.7
95.04989	2.7
95.08620	2.7
97.02866	0.8
97.06542	2.5
105.07054	3.0
107.08644	2.5
109.02888	1.9
109.10192	2.1
111.08090	0.8
113.57050	0.8
117.06982	1.0
117.89787	0.7
119.08616	1.3
121.10140	3.4
127.03967	0.8
130.74597	0.6
131.08629	1.5
133.10178	1.4
146.06046	4.1
147.11729	1.5
149.09688	1.5
157.10170	1.9
161.01213	0.7
161.09669	1.2
162.99161	0.7
163.11235	0.9
170.94946	0.6
189.05540	0.7
193.12323	2.2
211.13271	0.7
222.56471	0.6
225.10576	1.0
229.14493	1.2
233.11583	0.9
251.12677	1.2
267.16098	1.1
269.13666	4.4
275.05835	0.7
281.13702	0.7
283.15195	10.2
287.14111	0.8
299.13922	4.2
300.65173	0.7
301.14517	1.4
325.16345	2.4
331.16638	1.0
339.17786	5.5
349.16946	0.8
385.13611	0.9
390.18509	0.7
394.67374	0.7
399.10870	2.5
413.17459	0.7
420.19101	0.8
423.11032	1.3
429.12302	1.3
432.19473	2.4
541.29877	1.5
567.31592	3.4
585.32648	100.0
611.81061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.05500	15.5
57.07066	8.3
59.04981	5.4
60.83154	1.7
63.12269	1.4
65.03928	2.6
67.05501	21.4
69.03421	6.5
69.07064	17.4
69.34323	15.2
71.04982	1.7
79.05492	24.8
81.07053	32.1
83.04971	9.8
83.08611	8.4
85.06542	6.5
87.04440	1.5
89.06042	1.6
91.05474	41.5
93.07040	62.1
95.04969	15.3
95.08601	37.7
97.06547	6.9
103.05476	4.8
105.04537	1.9
105.07023	70.1
107.08586	51.7
109.06512	9.6
109.10144	21.4
111.08081	3.6
111.11697	2.3
113.09631	2.6
115.05453	4.6
116.06230	1.8
117.06998	14.4
119.08575	77.2
121.06509	5.0
121.10137	57.8
121.11025	2.8
123.08070	18.6
123.11696	5.4
125.05966	3.0
125.09608	4.4
128.06218	9.6
129.06999	19.6
130.07796	9.5
131.08565	37.3
133.06511	1.9
133.10127	43.3
135.08049	8.1
135.11673	17.4
137.09607	12.3
139.11198	3.3
141.06958	7.5
142.07774	24.8
143.08554	36.8
144.09337	5.6
145.06425	2.2
145.10114	49.5
147.08040	10.0
147.11658	21.1
149.09624	9.4
149.13257	3.3
151.07510	15.7
151.11156	2.0
153.07007	3.7
154.07813	3.5
155.08524	15.6
156.09329	17.2
157.10117	53.7
158.10907	6.7
159.08061	6.5
159.11673	25.5
161.09615	6.3
161.13232	7.8
163.11156	6.3
165.06992	6.7
165.09109	14.8
166.07785	3.0
167.08553	8.6
167.10663	28.4
168.09357	8.4
169.10112	28.6
170.10892	9.2
171.11696	26.3
173.09627	4.9
173.13266	26.1
175.11208	3.0
175.14862	10.0
177.12914	1.8
179.08562	13.1
180.09337	6.2
181.10091	16.3
181.12251	6.9
182.10905	9.0
183.11688	26.0
184.12479	5.7
185.09529	2.3
185.13217	18.3
187.11198	3.7
187.14838	6.9
189.12741	6.6
189.16440	1.6
191.08650	1.7
191.14275	7.2
192.09323	4.9
193.10106	17.7
194.10883	11.5
195.11711	24.7
196.12511	7.2
197.09575	1.8
197.13261	20.5
199.14836	14.7
201.12796	3.3
201.16388	5.0
203.14354	7.7
205.10217	4.7
206.10913	7.8
207.11705	19.3
207.13808	9.1
208.12457	7.6
209.13245	27.1
209.15155	1.7
210.14142	3.9
211.11279	2.4
211.14787	12.4
213.12834	2.2
213.16499	3.0
215.14426	4.3
217.10214	2.1
217.15784	8.5
218.10847	3.4
219.11717	7.2
220.12503	4.4
221.13246	16.4
221.15405	29.1
222.14095	4.3
223.14799	16.2
225.16272	8.6
227.14369	2.5
229.15790	2.4
230.10867	2.4
231.11749	7.5
232.12558	4.8
233.13449	11.0
233.15060	10.5
234.14050	3.9
235.14775	11.1
236.15622	2.9
237.16342	10.2
239.14442	2.2
239.17912	3.1
243.11592	3.7
245.13258	6.0
246.14069	5.2
247.14861	9.0
247.17082	2.8
248.15569	3.4
249.16428	7.1
250.17133	2.0
251.17912	8.8
257.13116	2.2
257.19012	7.0
258.14020	4.2
259.14853	6.2
260.15634	4.6
261.16367	9.2
262.17307	2.0
263.17902	8.6
265.15756	1.8
265.19489	6.8
269.19080	4.0
271.14835	4.0
271.20483	2.5
272.15588	3.0
273.16321	3.3
274.17197	2.6
275.17892	7.4
277.19543	6.1
279.21112	2.1
283.20566	11.2
285.16135	1.8
289.19507	4.8
295.20694	4.3
297.22177	2.6
299.20245	3.3
301.19342	3.0
307.20630	2.5
315.21024	1.9
319.24243	1.7
327.21552	1.9
331.24100	3.4
335.23706	2.2
343.24030	2.3
347.23727	2.2
349.25366	5.2
357.25867	3.1
361.25302	3.8
373.25125	3.1
375.26904	5.0
385.29175	2.0
403.29980	6.4
413.28101	2.1
491.34695	3.2
503.35345	2.5
505.38120	1.9
509.34195	2.8
547.39630	5.2
565.40405	19.7
583.41376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.05497	11.8
57.07067	11.8
59.04997	4.1
65.03928	3.4
67.05499	21.3
69.03423	6.2
69.07063	17.8
69.34172	16.9
69.34593	4.9
71.05002	3.3
77.55833	2.0
79.05486	27.9
81.07052	38.5
83.04982	6.0
83.08606	10.2
85.06520	3.8
91.05479	40.4
93.07043	49.3
95.04963	14.7
95.08608	40.0
97.06519	5.5
97.10162	2.5
98.98501	3.0
99.89870	2.0
103.05472	2.9
105.07027	62.3
106.07868	3.4
107.08587	39.2
109.06536	6.4
109.10150	20.5
111.08054	3.4
115.05422	3.4
117.07011	17.2
119.08576	70.2
121.06507	5.1
121.10135	45.2
123.08056	11.7
123.11716	5.3
125.09616	5.2
128.06223	8.6
129.07001	16.8
130.07813	7.1
131.08569	31.6
133.06451	3.0
133.10120	36.0
135.08052	9.9
135.11667	10.2
137.09589	10.4
141.06995	7.1
142.07767	19.0
143.08549	40.7
144.09332	6.5
145.10109	52.3
147.08034	18.4
147.11687	13.4
149.09648	6.0
149.13274	2.5
149.77222	2.3
151.07526	14.1
153.07007	4.3
154.07750	3.8
155.01079	2.9
155.08549	18.1
156.09341	16.1
157.10118	46.9
158.10912	7.7
159.08049	7.2
159.11691	25.2
161.09651	5.6
161.13269	9.7
163.11218	7.8
165.06985	8.0
165.09102	29.6
167.08575	8.8
167.10629	12.7
168.09389	6.9
169.10109	24.2
170.10933	10.6
171.11679	33.0
173.09702	2.4
173.13216	19.6
175.14830	8.4
179.08530	16.6
180.09370	7.5
181.10144	13.6
181.12213	4.7
182.10938	8.5
183.11690	27.6
184.12492	3.9
185.09668	2.9
185.13286	13.8
185.95419	2.2
187.11162	3.4
187.14839	8.6
189.12784	6.1
191.14304	8.8
192.09372	4.8
193.10120	13.0
194.10889	10.4
195.11736	21.8
196.12560	5.5
197.13228	22.1
199.14851	16.3
203.14290	14.3
205.10170	6.5
205.16006	2.5
206.10936	5.8
207.11736	17.4
207.13835	7.2
208.12485	7.6
209.13260	27.7
210.13968	2.8
211.11346	2.8
211.14842	14.1
213.16458	3.1
215.14304	3.3
217.10071	3.0
217.15889	11.2
219.11716	7.5
220.12541	5.2
221.13283	19.0
221.15411	60.9
222.14059	5.6
223.14798	11.6
224.15456	2.9
225.16344	6.1
227.14322	2.6
231.11707	7.2
231.17500	5.0
232.12439	4.2
233.13264	11.2
233.15367	4.1
234.14005	4.3
235.14920	13.2
235.16920	2.4
237.12698	2.9
237.16473	9.6
239.17914	3.7
241.15959	2.7
244.12468	3.5
245.13321	6.2
246.14009	4.3
247.14799	8.2
247.17003	4.4
248.15765	2.4
249.16403	8.8
251.17955	7.0
253.19501	2.9
255.17371	3.0
255.88283	2.2
257.19104	6.6
258.14096	3.7
259.14752	2.7
260.15710	4.1
261.16455	8.8
263.18045	7.9
265.19498	5.8
269.18851	3.5
272.15494	3.3
273.16385	5.1
274.17108	2.7
275.17963	9.7
277.19470	3.3
281.19138	3.6
283.20557	11.7
289.19342	3.9
293.19034	3.2
295.20651	4.2
297.22308	5.9
301.19290	2.5
303.21088	3.0
315.20984	3.4
331.24243	4.1
347.23758	3.3
349.25354	8.0
352.23914	3.1
375.27081	7.9
403.29800	5.1
443.28897	2.3
485.64291	3.2
491.35162	4.9
503.35306	4.6
565.40436	20.6
583.41486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.05510	15.3
57.07071	12.7
59.04984	5.8
65.03937	5.2
67.05499	29.4
69.03425	8.7
69.07059	18.3
69.34151	11.2
69.34577	6.5
79.05487	25.1
81.07056	35.9
83.04982	9.9
83.08596	11.0
85.06522	8.1
91.05475	51.3
93.07041	55.2
95.04951	17.3
95.08598	40.3
97.06538	4.0
102.97490	1.8
103.05482	5.0
105.04507	2.4
105.07023	81.1
107.04962	2.7
107.08590	42.9
109.06519	11.4
109.10142	22.6
111.08086	2.5
115.05458	6.7
116.06226	2.5
117.07006	23.3
119.08571	93.6
121.06503	9.0
121.10136	52.9
121.11007	2.3
123.08067	18.9
123.11703	7.0
124.12545	1.5
125.05990	2.8
128.06210	13.2
129.06995	21.4
130.07777	7.0
131.08548	41.6
133.06461	5.0
133.10121	40.0
133.11072	3.0
135.08034	12.2
135.11678	14.4
137.09602	13.7
139.11168	4.0
141.06978	11.4
142.07756	26.4
143.08540	43.0
144.09384	10.8
145.06551	3.4
145.10109	57.5
146.07245	1.8
147.08031	19.1
147.11676	20.7
149.09622	7.3
149.13261	5.4
151.07529	17.4
153.07025	6.3
154.07780	3.0
155.08543	21.6
156.09344	19.0
157.10115	64.7
158.10887	8.8
159.08069	5.1
159.11690	26.1
161.09686	7.1
161.13231	12.2
163.11139	11.1
165.06981	7.8
165.09088	39.9
165.12895	1.7
166.07811	4.8
167.08546	10.7
167.10677	15.2
168.09317	10.1
169.10121	34.5
170.10889	11.6
171.11682	34.2
172.12532	1.6
173.09653	5.0
173.13255	26.3
175.11192	5.0
175.14752	9.7
176.58931	1.7
179.08533	17.7
180.09279	9.1
181.10121	22.0
181.12227	6.9
182.10912	11.6
183.11665	35.1
184.12503	7.1
185.09613	2.5
185.13245	21.6
187.11165	2.3
187.14851	6.5
189.12772	7.5
191.08636	1.8
191.14326	10.6
192.09377	7.7
193.10132	19.1
194.10924	13.5
195.11674	31.7
196.12486	6.1
197.13268	22.7
199.11203	2.6
199.14815	18.5
201.12830	3.4
201.16380	3.2
203.14264	14.9
205.10152	6.1
206.10915	9.4
207.11728	21.6
207.13853	7.3
208.12450	6.8
209.13237	30.3
209.15067	2.0
210.14024	5.2
211.11269	2.6
211.14839	13.7
213.12770	3.2
213.16409	6.3
215.14351	2.4
217.10194	3.6
217.15858	10.7
218.10957	4.4
219.11717	7.5
220.12515	6.3
221.13266	19.5
221.15410	70.6
222.14085	5.8
223.14841	14.6
224.15688	2.3
225.12709	3.5
225.16379	7.2
227.14319	2.6
231.11678	5.4
231.17479	4.7
232.12550	4.6
233.13258	11.9
233.15414	6.0
234.14008	3.8
235.14830	14.0
236.15648	2.7
237.16365	9.8
239.14339	3.4
239.17950	4.4
241.15657	2.0
243.11786	2.7
245.13272	5.6
246.14059	5.9
247.14856	7.3
247.17105	3.5
248.15688	3.9
249.16389	9.8
251.14339	2.0
251.17986	5.7
253.15857	3.0
253.19522	3.4
255.17554	2.2
257.13336	2.8
257.19016	7.8
258.14072	3.1
259.14865	8.8
260.15829	3.7
261.16321	10.7
262.17361	2.3
263.17957	6.3
265.19550	7.5
267.17426	2.0
269.19022	6.0
271.14896	2.5
271.20554	2.5
273.16425	9.3
274.17169	2.8
275.17953	12.0
277.19522	4.9
279.21118	3.0
281.18872	2.7
283.20578	13.3
285.16171	2.4
286.19510	2.6
287.20132	5.2
289.19473	5.8
291.21069	1.9
293.19067	2.8
295.20587	5.2
297.16614	2.2
297.22083	3.9
299.20477	2.7
301.19479	4.7
303.21103	2.0
307.20694	2.6
329.22870	2.4
331.24261	6.6
335.23776	3.1
347.23697	3.3
349.25308	6.8
355.24588	2.0
357.25751	3.8
361.25266	3.5
365.24600	2.5
373.25394	2.1
375.27023	7.8
403.29935	8.0
491.35074	4.3
503.35187	5.7
509.34445	3.0
547.39423	3.7
565.40326	25.8
583.41431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15539	1.2
53.03938	6.9
55.01876	6.6
55.05507	23.7
56.96562	1.5
57.03429	8.3
57.58715	1.4
59.05005	3.1
61.02929	2.0
65.03941	4.6
67.05498	100.0
69.03425	19.9
69.07053	8.7
69.35609	2.0
69.35956	15.0
70.06596	1.8
71.01353	1.6
71.04988	9.0
79.05478	24.8
79.05890	1.8
81.03409	88.2
81.07046	32.5
83.04974	19.7
83.08609	22.5
84.08145	2.2
85.02896	23.5
85.03366	2.1
85.06557	4.5
86.09709	3.0
91.03975	2.2
91.05474	28.8
93.07040	18.9
95.04955	24.1
95.08597	13.3
97.02882	17.1
97.06551	11.7
97.10168	13.5
98.20771	2.8
99.04469	4.6
103.03974	2.4
105.07022	18.6
107.04954	9.3
107.08556	11.7
109.02873	17.4
109.03464	1.5
109.06560	6.3
109.10146	69.4
111.04428	15.5
111.08064	9.0
113.06012	2.7
115.05428	1.4
117.07055	5.8
119.04992	2.0
119.08569	18.1
121.06541	4.0
121.10143	7.5
123.04453	4.6
123.08095	3.2
123.11746	2.1
125.00032	2.5
125.09631	10.5
127.03927	11.9
129.05513	3.2
129.07008	9.7
131.08577	8.4
133.06505	3.5
133.10118	9.3
135.08052	3.1
135.11731	2.8
137.05994	1.5
137.09671	4.9
140.62819	1.3
142.07816	2.4
143.08601	2.4
145.06546	2.2
145.10114	2.8
147.08131	2.1
147.11682	9.7
149.05974	2.9
149.09656	4.7
153.09128	2.1
155.10652	3.4
157.10158	8.4
159.11754	2.0
161.06039	2.2
161.09660	2.2
163.03943	1.9
163.11191	3.5
165.12747	3.6
173.11739	18.2
175.11147	8.8
184.07355	10.3
185.07684	2.2
189.09387	1.4
189.11266	6.1
189.12834	2.2
191.10652	2.8
193.12242	26.1
199.11284	1.9
204.30948	1.5
211.13252	41.1
227.12825	7.7
229.14310	19.8
235.13315	4.3
267.15720	7.9
273.14948	3.0
277.14481	3.6
281.13879	2.6
283.15381	3.2
285.17047	3.5
299.14957	5.8
301.14554	5.0
309.16937	3.1
319.15540	3.9
329.21198	2.8
331.17795	1.8
355.17688	10.3
356.15765	1.9
403.24945	4.5
411.20221	3.9
421.25861	13.4
439.26944	14.0
463.27118	4.4
491.25955	1.9
493.28156	1.7
505.27994	7.9
529.27887	3.2
547.29639	2.2
565.29938	10.0
583.31201	91.6
584.31036	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	583.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26958	1.5
55.05507	3.8
56.55394	1.7
56.96564	2.5
61.02935	1.8
67.05493	6.1
69.03437	1.7
69.07056	3.0
70.06598	2.4
72.39281	1.5
78.84212	1.6
79.05488	5.7
81.03409	4.3
81.07038	5.9
83.05003	2.2
91.05451	3.8
91.51012	2.0
93.07039	4.6
95.04951	2.0
95.08617	3.0
97.06527	1.5
105.07024	3.4
109.10163	6.2
129.07042	1.8
129.10226	1.7
139.11176	1.8
170.18539	1.7
175.11366	2.0
184.07401	1.8
206.73732	1.8
211.10855	1.5
211.13115	2.0
267.09000	2.3
283.15222	5.3
285.10168	3.0
325.66055	1.9
347.13019	3.6
365.14066	5.4
386.18549	3.5
390.35529	1.8
412.16660	2.0
456.80997	2.0
565.29681	3.4
583.29175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.4
67.05502	13.8
69.03414	6.3
69.07052	11.3
69.84016	14.9
69.84429	6.2
79.05492	13.9
81.07065	25.3
83.04990	3.4
83.08608	6.4
85.06511	3.2
91.05479	27.9
93.07027	28.6
95.04961	43.1
95.08591	17.5
98.21442	5.9
105.07034	60.1
107.08599	38.5
109.06522	9.6
109.10148	11.8
115.05431	6.8
117.07023	17.6
119.08582	52.3
121.06497	4.4
121.10142	30.4
122.07281	4.0
123.08060	15.9
123.11673	3.7
128.06204	12.1
129.07027	16.5
130.07806	7.8
131.08572	37.3
133.06458	6.6
133.10123	26.3
135.08014	18.8
135.11664	7.0
141.07034	7.8
142.07762	13.8
143.08574	52.3
144.09331	4.8
145.10115	52.1
146.07318	3.7
147.08029	10.5
147.11688	10.8
149.09612	6.4
151.11169	4.9
153.31956	3.0
155.08582	18.4
156.09326	13.2
157.10150	44.4
158.10872	10.0
159.08070	11.4
159.11720	22.4
160.08900	4.3
161.09627	14.3
161.13306	3.3
165.06949	7.4
166.07759	5.7
167.08595	9.1
168.09389	6.8
169.10115	27.1
170.10933	8.3
171.08153	4.6
171.11665	26.2
173.09610	14.9
173.13248	13.0
175.11160	5.9
179.08545	10.5
180.09329	6.5
181.10117	20.5
182.10896	11.2
183.08093	3.7
183.11702	28.4
185.09621	8.1
185.13268	16.4
186.10420	6.2
187.11172	11.4
188.12000	5.3
189.12706	7.9
191.14302	12.0
192.09413	5.7
193.10158	10.9
194.10880	9.3
195.11694	27.4
196.12393	5.0
197.09596	7.4
197.13237	20.4
198.14362	3.9
199.11134	15.7
199.14816	10.6
203.14310	7.6
205.10042	4.5
206.10905	10.4
207.11693	15.4
208.12418	10.3
209.09645	7.2
209.13269	23.3
210.10422	5.9
210.14014	4.1
211.11136	9.7
211.14781	10.8
213.12750	9.5
213.16451	3.7
215.14343	5.6
219.11646	8.7
221.13202	12.5
222.14073	5.5
223.11308	6.4
223.14767	15.3
225.12746	11.4
227.14317	14.0
231.11687	6.6
231.13776	4.5
233.13217	11.4
235.14970	5.3
236.12140	3.9
237.12714	4.7
237.16461	4.2
239.14372	6.4
245.13225	8.3
245.15561	7.8
246.13957	4.6
247.14720	7.7
249.16534	4.1
253.15833	7.8
255.17432	7.6
259.14700	5.3
261.16382	7.9
263.14325	6.2
263.17868	3.3
269.18991	4.2
273.18503	65.6
277.16028	7.6
277.19467	3.9
286.19269	4.8
289.15744	8.7
291.17578	6.1
291.20963	7.3
299.20172	22.7
309.22049	3.5
315.20926	5.1
319.20450	9.0
325.21686	7.5
337.21530	26.2
349.21866	4.0
350.22174	3.8
351.23181	6.6
352.23965	100.0
353.24921	5.4
359.23825	3.8
363.23257	6.9
365.24805	13.0
376.24142	5.3
401.28751	4.1
429.27765	6.1
434.28305	4.8
444.30237	39.1
490.34308	18.4
582.32300	5.1
582.40656	56.6
600.02570	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	582.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.05489	9.3
57.07070	3.4
59.04995	4.5
67.05511	6.9
68.43584	3.2
69.07046	12.4
70.79089	8.0
79.05478	13.9
81.07034	15.9
85.06514	3.0
91.05473	29.2
93.07030	28.9
95.04951	45.3
95.08562	7.9
97.06504	2.8
105.07020	48.8
105.07668	4.9
107.04980	3.7
107.08570	29.4
109.06528	8.6
109.10143	10.5
115.05403	3.5
117.07021	20.2
119.04949	3.9
119.08552	50.2
121.06451	6.8
121.10136	27.3
123.08060	11.1
123.11653	5.3
128.06190	12.6
129.07025	17.2
130.07788	6.0
131.08546	35.6
133.06493	4.0
133.10109	22.3
135.08018	13.6
135.11700	7.6
141.07033	8.3
142.07773	17.8
143.08531	47.8
144.09280	7.0
144.83176	3.0
145.06441	6.2
145.10124	49.2
146.07217	3.6
147.08078	7.8
147.11739	9.2
149.09605	4.7
153.06940	3.5
154.07790	5.9
155.08560	15.5
156.09364	15.5
157.10103	41.6
158.10884	7.5
159.08025	10.6
159.11665	17.6
161.09599	17.0
165.07025	6.8
167.08568	9.0
167.10724	4.3
168.09351	7.0
169.10115	21.1
170.10855	5.6
171.08046	6.1
171.11700	31.3
173.09619	17.3
173.13235	12.3
175.11153	4.2
175.14810	4.4
179.08563	12.6
180.09308	5.8
180.35118	3.1
181.10097	18.9
181.11415	3.0
182.10872	9.3
183.11652	28.4
185.09657	10.8
185.13245	9.8
186.10405	5.1
187.11189	7.3
187.14824	5.2
188.12082	4.1
189.12698	8.5
191.14336	10.7
192.09334	7.7
193.10127	13.2
194.10989	4.9
195.10141	3.3
195.11612	19.9
196.12466	4.6
197.09590	7.2
197.13213	21.2
199.11115	12.2
199.14835	9.5
201.12704	7.7
203.14203	4.3
205.09923	5.4
206.10899	4.2
207.11697	16.3
208.12572	3.9
209.13197	16.6
211.11182	6.7
211.14841	8.3
212.15556	3.2
213.12703	9.6
215.14375	7.7
217.15900	4.3
218.10907	3.8
218.55423	3.4
219.11703	7.0
220.12486	6.1
221.13234	14.1
222.13992	7.1
223.11162	8.4
223.14777	10.3
225.12752	7.6
227.14326	11.0
228.09367	3.6
230.11055	3.3
232.12407	4.6
233.13249	8.3
235.11171	3.2
235.14777	6.7
237.12749	4.7
237.16251	5.6
239.14200	4.9
239.17918	5.5
241.15842	6.2
245.13219	8.4
246.13998	3.4
247.14906	8.0
249.12747	5.0
249.16386	5.6
253.15833	9.6
257.19034	3.8
259.14731	3.3
261.16403	3.8
265.15909	4.4
271.16910	9.6
273.18491	58.6
277.15912	6.1
277.19199	3.6
285.95691	3.8
286.19427	4.4
289.15884	10.4
291.17554	5.7
299.20120	23.0
309.22208	3.9
318.83502	3.7
319.20435	6.8
325.21643	5.5
337.21689	28.9
345.22433	5.2
351.23160	6.2
352.23920	100.0
353.24707	6.5
363.23267	6.9
365.24619	12.1
429.27863	5.4
434.28146	7.0
444.30255	43.0
445.30753	7.7
490.34274	12.2
564.39093	5.3
582.40643	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26713	1.9
52.80358	2.0
53.03940	2.5
55.01856	3.7
55.05261	2.4
55.05506	29.7
57.03429	3.8
57.07046	7.4
65.03939	1.9
67.05502	50.8
69.03415	6.6
69.06712	2.8
69.07064	31.4
71.04967	3.3
71.52534	4.9
72.94328	1.8
74.22484	2.8
77.03981	2.4
79.05491	32.7
80.24677	2.2
81.03405	2.6
81.07050	68.3
83.04980	4.4
83.08605	14.1
83.64561	1.9
85.06523	5.8
91.05474	41.5
93.07038	56.1
95.04973	14.6
95.08598	62.1
97.06538	4.9
97.10151	8.9
103.05437	4.4
105.07025	64.4
107.04933	2.5
107.08582	43.4
109.06499	8.5
109.10146	31.1
111.08064	3.9
111.11633	2.0
115.05405	5.3
117.07005	22.3
119.08572	56.4
121.06494	5.8
121.10136	43.7
123.08055	13.1
123.11671	11.5
123.63376	2.3
125.09606	5.0
128.06221	11.3
129.06282	2.3
129.07007	23.6
130.07816	5.7
131.08553	43.4
133.06483	3.1
133.10120	64.9
135.08052	9.0
135.11691	21.3
137.09587	7.2
141.06952	9.2
142.07782	13.3
143.08540	37.7
144.09311	3.6
145.10110	52.5
147.07991	11.0
147.11681	18.7
149.09616	14.4
149.13266	5.8
151.07501	8.8
153.06973	3.4
154.07790	3.1
155.08551	20.8
156.09380	11.0
157.10107	47.3
158.10899	5.3
159.08041	5.1
159.11685	27.5
161.09627	5.2
161.13210	12.4
163.11116	3.1
163.14685	3.6
165.07011	3.1
165.09079	9.9
166.07683	2.3
167.08536	8.2
167.10664	31.6
168.09306	3.2
169.10118	30.8
170.10938	5.3
171.08037	2.5
171.11655	30.1
173.09579	3.5
173.13261	30.5
175.11179	4.7
175.14810	9.7
176.48483	2.2
179.08560	6.5
180.09355	3.6
181.10129	12.6
181.12224	3.6
182.10873	6.1
183.11682	27.6
185.09639	3.2
185.13237	23.0
187.14793	13.4
189.12701	7.7
191.14189	2.6
193.10132	7.7
194.10878	4.2
195.11649	14.0
196.12460	3.3
197.13223	19.8
199.11102	3.5
199.14796	15.4
201.16418	7.0
203.14287	5.4
205.10120	3.7
206.10898	3.2
207.11697	10.3
207.13641	3.8
208.12358	3.8
209.13322	16.3
211.11137	4.6
211.14847	11.0
211.16974	2.0
213.12860	2.5
213.16357	11.3
215.14302	4.0
219.11777	2.7
220.12331	4.1
221.13243	7.8
221.15366	17.2
223.14815	10.6
225.12784	2.9
225.16406	6.2
227.17953	5.4
229.15907	2.7
231.11661	3.6
233.13220	5.8
233.15338	15.7
235.14917	4.9
237.16400	6.9
239.17908	4.6
241.19325	5.0
247.14792	4.4
249.16385	5.1
251.14384	2.9
251.17766	3.4
253.19563	2.5
261.16248	4.0
265.19531	3.0
273.16205	3.1
279.20663	2.2
281.19153	2.7
281.22540	2.8
287.20319	3.5
309.22220	3.4
311.20398	2.3
312.20746	4.3
323.23636	2.9
331.23749	2.7
335.23395	3.1
355.26508	4.3
369.27826	3.6
373.25299	3.2
383.29156	3.6
397.30939	4.1
411.32617	2.6
425.34195	2.8
479.35059	3.4
489.31796	2.5
511.37064	2.9
517.40387	13.4
525.33636	2.8
531.41809	2.9
549.43042	22.7
563.38885	11.1
581.38440	25.6
581.45319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1499
Annotation	Leucoside
Peak:m/z	Relative Intensity
55.01857	1.0
57.03451	2.2
61.02920	4.3
67.05501	0.8
68.99787	0.7
69.03429	3.0
70.06572	2.3
70.88998	1.2
71.01319	0.8
71.04974	0.6
72.08133	1.4
73.02915	7.2
77.15116	0.4
81.03399	0.7
84.04477	0.5
84.08132	1.3
85.02898	5.5
85.06688	0.5
86.09692	1.8
87.04443	0.8
91.03963	3.6
97.02877	4.9
98.12847	0.4
101.73986	0.5
106.65198	0.4
110.07162	0.5
111.00813	0.7
115.03932	2.1
115.04628	0.5
120.08109	1.5
120.09096	0.5
121.02866	2.6
127.03883	2.1
129.10213	0.7
133.02832	0.7
133.04909	1.1
136.07545	0.5
137.02359	0.8
145.04942	1.1
147.04388	0.6
153.01808	4.1
155.72586	0.5
163.05984	1.1
165.01828	1.8
173.05872	0.5
177.05309	0.5
183.02910	1.0
213.05463	1.9
231.06493	0.8
241.04857	1.0
254.95708	0.5
258.05258	1.1
259.05984	0.6
269.04214	0.4
287.05475	100.0
288.05649	0.9
299.05533	3.2
303.04883	0.7
313.11783	1.3
325.07016	0.7
329.06531	2.4
351.90823	0.5
353.06451	2.1
372.28589	0.4
373.14023	0.9
383.07581	0.6
395.07794	0.5
431.09442	0.7
449.10822	2.4
581.20789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1495
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.05491	1.0
56.96554	2.9
57.03442	4.2
59.06137	3.6
61.02922	6.3
66.95593	0.7
67.05497	1.4
68.99778	1.1
69.03423	4.3
70.06245	1.0
70.06592	13.8
70.84830	1.6
71.04981	0.8
72.08136	1.8
73.02917	7.7
77.96719	0.6
79.05481	1.6
81.03400	3.8
81.07051	1.2
83.06124	0.8
84.08153	3.9
85.02901	8.5
85.07661	10.7
86.09697	2.1
91.03957	4.9
91.05462	1.3
93.07069	1.0
95.04973	1.5
97.02885	8.2
98.97588	3.4
101.08379	1.1
105.06995	1.2
107.04896	1.0
110.07180	0.7
110.71942	0.8
111.00824	0.9
111.09191	2.3
115.03926	3.0
116.98595	1.3
118.11106	1.5
119.08508	0.7
120.08098	1.1
121.02891	3.7
121.10130	1.0
124.35951	0.7
127.03899	2.4
128.11838	10.7
129.10214	1.3
131.00162	1.8
137.02336	1.1
143.00156	0.8
145.04924	1.1
147.03122	1.1
147.04323	1.4
149.01192	4.9
153.01842	3.8
156.03590	2.8
158.99626	2.0
161.01205	1.1
163.06041	1.1
165.01839	1.9
167.02275	1.6
167.07039	1.9
177.00749	3.6
187.07996	2.2
189.00676	1.8
193.12280	2.1
213.05487	1.0
219.01735	1.2
228.05733	1.1
237.02847	0.9
243.08789	3.0
259.10123	0.9
267.09082	1.5
268.10718	3.9
268.60748	1.1
273.21420	0.7
285.10095	1.8
287.05481	100.0
288.05731	1.3
293.05484	1.4
299.05453	4.7
303.04993	7.4
304.05258	1.7
311.05765	1.2
313.11630	1.1
324.11447	19.3
324.15067	1.4
324.61673	4.1
325.07120	1.5
329.06607	4.8
340.12656	5.2
340.62823	1.4
349.13351	8.6
349.63464	2.0
353.06592	3.6
373.14044	1.3
383.07794	1.2
413.08728	1.0
431.09579	1.7
449.10532	3.0
491.29138	3.2
575.29651	0.9
581.21295	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	580.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67801	3.4
55.01861	9.2
55.05507	27.3
56.96566	5.0
57.03426	16.7
57.33274	3.4
60.04520	5.4
61.02900	6.7
67.05498	64.7
69.03418	7.1
69.07050	17.0
70.06583	10.2
71.04980	14.2
73.02930	4.4
79.05487	34.5
81.03412	75.0
81.07060	45.2
83.04971	10.8
83.08609	28.5
84.08136	4.8
85.02895	14.0
86.09675	11.5
87.55811	4.0
91.05463	33.8
93.07034	32.5
95.04951	32.2
95.08588	14.8
97.02879	9.1
97.06522	28.6
97.10178	25.1
105.07018	22.9
107.04950	26.2
107.08609	19.3
109.06520	19.6
109.10150	34.1
111.08085	7.4
117.06979	9.4
119.08576	24.9
120.08089	4.8
121.06490	13.9
121.10155	19.7
123.08019	6.1
123.90587	3.6
125.09615	16.9
127.03899	7.6
129.06960	9.6
129.12761	3.6
131.04878	4.3
131.08565	15.5
133.06430	4.7
133.10132	7.0
135.08051	10.7
135.11667	7.4
145.06476	8.9
145.10146	12.1
147.08058	9.3
147.11668	8.1
148.07500	5.1
149.09624	5.4
157.10085	10.8
171.11639	4.3
173.09540	5.6
173.11736	10.7
173.13185	4.6
175.11230	8.8
184.07350	5.3
189.11171	9.1
191.14230	5.3
193.12245	17.6
211.13246	6.5
215.14323	7.8
219.13727	13.9
227.12732	7.7
229.14316	25.0
233.15367	5.1
259.15381	7.4
267.15881	47.4
273.14816	11.3
293.17255	9.5
355.15652	5.9
367.22617	19.4
383.24237	14.1
385.23706	38.4
403.24677	8.6
441.26288	10.1
459.27417	100.0
477.28439	75.8
491.30185	8.6
495.29144	5.1
509.32019	4.6
580.33917	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	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01874	2.4
55.05510	4.0
56.05036	4.9
57.03443	2.6
57.07070	0.7
58.02951	0.6
58.06574	0.8
60.04522	100.0
61.02919	2.1
62.06080	0.5
67.05212	0.3
67.05499	11.5
68.05025	1.1
68.99786	1.4
69.03423	13.2
69.07065	5.1
70.02973	0.6
70.06581	3.7
71.05001	2.4
71.60139	0.4
72.04512	3.5
72.08146	1.5
73.02905	3.0
73.06550	0.4
74.06078	4.2
79.05487	7.1
80.05016	2.0
81.03413	13.3
81.07053	11.4
82.06585	2.1
83.04979	1.2
83.08614	1.9
84.04504	2.0
84.08138	1.3
85.02899	19.5
86.06059	2.2
86.09718	0.8
87.00822	5.6
87.04458	0.7
90.05538	1.2
91.03967	0.5
91.05472	4.5
93.07038	8.1
94.06551	2.1
95.04961	2.3
95.07345	0.6
95.08603	9.7
96.08119	2.4
97.02888	5.4
97.06530	1.8
97.10165	1.1
98.06042	1.1
99.04457	4.7
101.02376	0.4
102.05525	2.5
103.03931	1.0
104.07095	2.5
105.01848	3.2
105.04303	0.4
105.07024	3.3
107.08595	4.6
108.08031	0.5
109.02874	11.5
109.06547	0.6
109.10143	3.7
110.06059	0.9
110.09693	0.6
110.46133	0.5
111.04450	0.6
111.08070	1.0
112.07616	0.8
116.07086	0.9
117.01857	1.1
117.06994	0.7
119.08604	2.9
120.08110	1.4
121.06559	0.9
121.10139	3.7
122.09673	0.7
123.08102	0.8
123.11702	2.0
124.07607	0.5
126.05532	0.9
127.03912	13.7
129.01837	1.2
129.06995	0.6
131.08542	2.2
133.10133	1.6
134.09656	0.4
135.11700	2.7
136.07643	0.4
137.05939	0.5
137.09622	0.5
137.13214	0.6
140.10721	1.0
147.02872	0.6
147.04405	1.2
147.11674	1.1
148.07497	0.5
149.02298	1.4
149.13326	0.8
152.07076	0.5
159.02872	3.9
159.11760	0.7
163.03911	0.5
173.13203	0.5
184.07402	0.5
187.06058	0.7
204.68680	0.5
206.10152	0.7
213.03900	0.6
228.08667	0.5
228.17444	0.8
230.10008	0.5
231.05026	1.5
248.11282	0.5
248.23663	1.1
260.23755	2.0
261.22073	0.8
266.24759	0.8
274.09174	0.8
278.24771	7.1
296.25848	10.4
310.11234	2.1
313.03494	0.6
314.03650	0.8
314.26877	22.7
332.27930	74.2
333.28381	1.0
355.08145	0.5
356.27966	1.2
374.29019	4.2
399.10913	1.0
400.10864	1.7
417.11835	0.7
418.11996	2.6
422.28934	0.5
482.30685	0.6
494.33133	2.6
500.32043	0.6
508.28864	0.6
518.33392	0.8
526.29913	1.3
526.37341	0.7
536.34283	5.8
544.30890	1.6
562.32422	5.6
580.33258	62.7
581.33301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01858	1.0
55.05509	7.1
56.05028	1.6
56.27213	1.0
57.03423	2.5
57.07071	1.3
59.04985	1.1
67.05486	7.4
68.04979	1.0
69.03411	1.7
69.07058	8.7
69.31092	8.3
70.06583	5.3
71.05003	1.1
71.08629	9.1
72.08152	1.3
74.17615	0.8
79.05482	7.7
81.03407	4.8
81.07038	11.3
82.06570	2.7
83.04968	2.2
83.07346	3.4
83.08611	5.3
85.02869	1.8
85.47514	1.0
86.06055	9.0
91.05471	4.0
91.17587	0.9
93.07025	7.9
95.04950	2.3
95.08594	4.8
96.08106	7.8
97.02892	1.1
97.06511	3.3
97.10152	2.1
98.06059	2.0
98.09680	100.0
99.04473	1.0
99.08088	5.5
105.07012	2.5
106.07349	1.0
107.08607	4.5
109.10160	3.5
111.08060	1.7
116.10720	48.3
116.98586	0.9
119.08562	2.6
120.08980	1.2
121.10129	3.3
122.09659	3.1
124.07558	2.7
124.99992	3.7
125.09593	1.6
131.08543	1.7
140.10736	1.2
142.12242	3.0
143.10655	2.8
145.10062	1.4
147.11646	1.8
149.13280	4.2
152.10814	0.9
159.11687	1.5
163.03889	1.1
167.14279	1.8
173.11682	7.5
178.06290	1.0
178.15919	5.5
193.12279	1.1
196.07306	18.3
196.16945	37.9
196.96986	1.0
202.15863	2.1
214.17998	22.1
231.15865	3.6
238.17957	2.2
252.09940	6.9
267.08896	2.1
267.15961	1.9
269.17429	1.7
270.10977	18.6
270.23001	1.0
283.13501	1.8
285.10129	2.1
287.18539	8.8
292.22565	2.5
294.14624	5.3
300.13593	2.6
310.23657	7.8
328.24710	3.2
350.17209	10.4
368.18283	93.5
408.21738	1.8
408.31039	17.8
464.24002	4.6
476.46536	1.3
482.25073	16.2
530.74823	0.9
562.31970	1.3
580.32422	1.9
581.29016	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	580.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.5
55.01798	0.7
55.05449	0.6
55.05674	0.3
57.03371	0.5
60.04438	1.1
61.02858	0.5
65.03881	0.5
67.05399	1.1
69.03338	0.9
69.03683	0.4
69.06968	1.0
69.85480	0.6
69.85885	1.7
70.06490	1.6
70.64895	0.3
72.08057	0.5
74.86678	0.3
79.05383	2.8
80.04905	1.1
81.03302	1.2
81.06951	1.4
82.06479	0.4
82.18862	0.3
82.20551	0.3
83.04906	0.5
83.08542	0.3
84.04395	0.5
84.08065	0.6
84.40885	0.3
85.02792	1.3
86.09603	0.8
91.05363	2.6
93.05708	0.5
93.06921	2.8
93.07549	0.6
94.06447	4.6
95.04852	1.2
95.08530	0.5
97.02802	0.7
97.06401	2.2
103.05468	2.0
104.04901	0.4
105.06941	1.1
106.06455	0.9
107.04814	0.4
107.07238	0.6
107.08437	0.5
108.04356	1.2
108.07991	3.2
108.08780	0.7
108.44660	0.4
109.02743	0.3
109.06378	0.5
109.10046	0.5
110.05931	0.9
110.07072	0.6
111.08018	0.3
117.05691	0.7
117.06936	0.5
118.06544	2.5
119.07195	1.1
119.08507	0.4
120.04465	5.0
120.08095	15.1
121.10078	0.7
122.06038	1.9
122.09677	1.6
124.07442	1.0
124.15743	0.3
130.06445	0.7
131.07204	0.8
131.08456	0.8
132.08069	3.5
133.08754	0.4
133.10005	0.4
134.09526	1.5
135.06700	0.6
136.07555	5.2
137.09532	0.4
138.05383	0.6
138.09044	0.5
144.07922	1.1
146.06006	11.0
146.09515	0.8
147.06609	0.4
148.07564	25.1
148.08667	0.9
150.09106	2.3
152.07053	6.2
158.05951	0.6
158.09540	0.6
159.06714	0.8
159.09021	0.5
160.07562	4.8
162.05394	0.7
162.09102	2.9
163.03795	0.7
164.07057	5.0
164.10628	1.7
165.07649	0.4
166.08638	4.4
170.05905	0.5
170.09547	0.8
171.09088	0.5
172.07495	0.7
174.05365	0.9
174.09039	0.5
176.06963	0.9
176.10585	0.6
177.07840	2.2
178.08630	1.9
180.06569	0.5
180.10144	4.4
181.08690	1.2
182.08124	0.4
182.09752	1.6
183.09038	1.2
184.07280	0.9
184.09912	2.2
185.10728	2.3
187.06146	1.3
188.07039	2.7
189.07771	0.6
190.08498	1.1
192.06557	1.8
192.10147	3.5
194.08116	5.6
194.09711	0.4
195.09058	0.4
196.09712	2.2
196.11182	0.9
197.09119	0.5
197.10712	7.3
198.11478	4.1
199.12331	2.1
200.10719	0.4
202.08492	1.0
204.10072	1.0
205.07222	0.6
206.06221	0.4
206.08134	3.7
207.08781	0.9
208.09610	1.2
209.10684	3.4
210.09175	0.6
210.11334	2.2
211.08519	1.4
211.12288	6.2
212.09377	3.4
212.12930	1.3
213.10262	3.2
213.13789	3.4
215.08389	0.3
218.08012	1.3
220.09557	1.0
221.10634	0.9
222.07631	0.5
222.11246	6.5
223.08565	0.9
223.12195	2.6
224.09213	0.7
224.12857	2.5
225.10201	13.1
225.13530	1.9
226.08853	0.5
226.10930	4.5
227.11784	5.9
228.12411	0.7
229.13206	0.4
232.09439	0.5
233.06714	1.4
234.07535	0.9
235.12146	1.1
236.09140	3.6
236.12930	0.6
237.10173	3.4
237.13727	1.0
238.10921	3.5
239.11795	10.2
240.12376	1.2
241.09705	0.8
241.13377	3.5
243.11191	0.4
243.14841	0.7
245.10153	0.4
245.12654	0.5
248.09172	24.7
249.10002	1.5
250.11003	0.8
251.11763	3.3
252.12552	1.6
253.09587	9.6
253.13211	4.6
254.10204	0.7
254.14006	0.5
255.11250	4.0
256.11850	0.7
257.12695	1.4
258.13632	0.5
259.09683	0.5
263.11765	1.7
265.09824	1.8
265.13342	1.9
266.10297	1.4
267.11282	7.9
267.15237	0.6
268.11935	1.6
269.12845	4.1
270.09998	0.5
271.10889	0.7
271.14261	1.3
273.12305	1.0
273.15921	0.8
279.11255	1.9
280.11975	1.7
281.09827	0.4
281.12823	7.1
282.13489	0.5
283.10742	0.7
283.14240	1.2
284.11319	0.4
285.12335	7.0
285.15390	0.3
286.13089	2.3
287.10886	0.5
287.13870	7.0
288.14737	0.5
291.11142	0.9
293.12784	1.0
295.10648	3.5
295.14227	1.8
296.11340	0.5
297.12286	2.8
298.12930	2.0
299.13855	3.9
300.14761	0.5
301.15451	4.8
302.12744	0.4
302.16159	0.5
303.17078	1.0
308.11349	0.6
309.12369	3.1
310.13074	0.6
311.10165	0.9
311.13766	2.3
312.14597	0.5
313.11716	14.8
313.15384	4.1
314.03555	0.4
314.12701	0.6
314.16443	0.9
314.26843	0.6
315.13385	0.5
316.14297	1.0
323.13901	1.5
325.11539	0.4
325.15292	0.6
326.12555	4.9
327.13339	2.9
327.16760	0.6
328.14178	11.4
328.17865	0.6
329.14917	21.4
330.15839	1.0
330.19476	0.4
332.17514	0.6
332.27850	1.1
341.14923	19.6
342.15811	0.9
348.16946	0.4
355.16376	2.3
356.08289	0.5
356.17450	0.5
357.14044	0.4
358.15384	0.5
360.17075	0.6
365.22992	0.4
369.14346	0.5
372.17392	0.5
374.18558	1.1
376.16602	1.7
384.17178	0.6
391.18948	0.5
399.10605	0.7
399.15475	0.4
400.11328	1.7
402.18005	1.4
404.15445	0.6
406.21198	0.5
416.19617	1.5
417.11993	0.7
418.12381	1.8
418.21436	0.5
434.20618	1.2
444.19171	2.5
448.22394	0.9
451.20920	1.1
458.20654	0.5
460.22058	1.8
461.19745	0.5
462.20306	0.9
466.23590	1.6
476.21832	6.3
486.20047	0.9
494.22787	10.3
504.21341	3.9
508.24341	2.2
518.22754	1.0
521.21228	0.5
536.23889	100.0
537.24316	1.3
548.20599	0.7
562.21820	2.6
580.22876	69.6
581.23163	0.9
581.63782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01860	4.2
55.05505	19.4
57.03436	8.4
57.07071	5.7
65.03944	2.7
67.05497	83.4
68.05817	1.0
69.03418	5.2
69.06708	2.0
69.07058	17.4
71.04987	2.8
71.08617	4.7
71.60773	1.6
73.02908	3.8
73.20792	1.0
77.03921	1.7
79.05485	43.8
81.03410	11.0
81.07047	86.6
83.04967	3.0
83.08602	12.6
85.02892	4.7
85.06544	3.8
85.10150	1.8
91.05473	25.5
93.07032	51.5
94.67723	1.1
95.04948	5.7
95.08595	69.3
97.02879	2.0
97.06526	6.5
97.10145	6.0
98.98453	40.0
99.04437	3.4
99.08096	4.2
105.07021	22.6
107.04934	1.8
107.07864	2.4
107.08585	37.4
109.02883	11.3
109.06516	3.8
109.10145	37.1
110.03654	3.7
111.04435	4.1
111.08089	4.5
113.09630	1.6
116.99511	1.2
117.07012	11.0
119.07767	2.1
119.08562	19.3
121.10129	36.2
123.08041	2.2
123.11690	15.1
125.09621	2.0
127.03931	4.5
129.07013	2.7
131.08554	21.5
131.09500	1.4
132.99573	1.1
133.10109	20.1
133.11063	1.5
135.08096	1.9
135.11671	23.9
137.09619	2.2
137.13235	8.9
139.11162	3.5
141.07124	1.1
143.08572	2.6
145.10110	17.5
147.08051	1.2
147.11684	12.8
149.09584	3.4
149.13237	15.1
151.11139	3.0
151.14838	4.2
153.12741	1.4
155.01025	44.8
157.10135	3.7
159.11676	12.7
161.09627	1.3
161.13246	10.2
163.11221	1.7
163.14801	14.6
165.12766	2.5
165.16431	1.5
167.08597	1.2
169.10048	1.3
171.11684	2.7
173.13234	16.1
174.83817	1.0
175.14803	6.5
177.12761	3.7
177.16360	5.7
178.30209	1.2
179.14316	2.7
183.11652	1.3
185.13181	1.4
187.14771	8.3
189.16408	2.0
191.00139	3.3
191.14249	1.7
195.11682	1.8
201.16356	1.8
205.15961	1.1
209.01051	1.6
211.13277	1.3
215.17944	2.3
233.19089	1.4
233.22667	3.9
243.21072	29.8
245.22577	6.3
259.20642	1.9
261.22116	100.0
263.23639	12.3
271.05872	1.6
277.21768	1.2
279.23212	3.8
303.23126	2.1
317.06412	5.8
317.24826	1.4
335.25784	11.2
337.27310	31.5
353.26825	70.6
369.24210	2.6
377.26865	3.2
385.82544	1.2
425.28024	1.3
443.27975	1.4
451.21500	2.6
469.22473	1.3
475.26810	1.3
543.26721	1.2
561.27063	3.7
561.37384	3.3
572.76257	1.2
579.27863	1.7
579.37183	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	579.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72795	1.0
53.03938	3.0
55.01862	3.0
55.05503	10.0
57.03423	4.1
57.07059	3.8
65.03933	2.5
67.05499	54.6
69.03409	3.7
69.07060	9.1
69.79001	0.9
70.01550	3.9
71.04996	2.2
71.08606	1.1
72.11922	1.0
73.02914	4.1
75.04500	1.7
79.05486	31.2
81.03417	4.2
81.07048	66.3
83.04966	2.7
83.08620	4.9
85.02903	3.9
85.06544	2.4
91.05473	20.0
93.07034	41.2
93.52852	0.9
94.05830	1.0
95.04961	3.2
95.08595	53.2
97.02899	2.1
97.06521	2.2
97.10162	2.8
99.04445	2.6
103.40761	1.0
105.07018	15.9
107.08585	26.2
109.02871	7.2
109.06542	1.9
109.10151	30.5
110.03640	3.8
111.04443	3.7
111.08055	2.1
117.06989	8.4
119.08578	12.2
121.10135	25.0
121.73261	1.0
123.08044	1.6
123.11704	15.7
124.86056	0.9
125.09616	1.3
127.03878	3.7
129.06993	1.2
131.08562	17.5
132.99574	1.7
133.10110	11.1
135.11691	22.8
137.13243	6.8
143.08542	1.1
145.10104	13.4
147.11641	9.0
149.13243	16.4
151.11243	2.1
151.14789	1.6
153.12727	1.0
155.08472	1.3
159.11668	13.7
161.13251	9.5
163.14789	11.8
165.12772	2.7
171.11777	1.3
173.13246	13.1
175.14780	2.8
177.12863	1.6
177.16394	3.3
179.14299	1.5
185.13205	1.0
187.14844	8.1
189.16328	1.4
191.00104	3.8
191.14304	1.2
193.10022	0.9
199.14929	1.1
201.16341	2.0
209.01164	2.0
220.75957	1.0
233.22585	4.6
237.18582	1.2
243.21056	23.8
243.23329	2.0
246.28084	1.0
259.20679	1.1
260.37064	1.0
261.22119	100.0
262.22601	1.1
263.23743	2.0
276.17050	1.0
279.23218	5.8
303.23273	3.1
317.24454	2.0
335.25806	19.7
337.27264	1.2
351.23279	1.6
351.45911	0.9
353.26855	71.5
354.27103	2.2
369.24112	2.3
371.25925	1.3
377.26773	2.6
433.20670	1.7
443.28040	1.7
451.21362	2.0
487.23685	1.3
543.26593	1.1
561.27148	5.3
570.86987	1.2
579.28821	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	579.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02342	0.2
52.49862	0.3
53.03922	0.3
55.01852	0.7
55.05491	0.5
57.03412	0.9
61.02913	0.7
65.03912	1.0
67.05495	0.8
69.03430	1.5
69.07047	0.3
70.06594	2.9
71.59330	0.4
71.59736	0.4
72.08120	0.8
72.93780	0.3
77.03915	0.4
78.04714	1.7
79.05466	1.3
79.17786	0.3
81.03371	0.8
81.07017	0.8
82.04192	0.6
84.04476	0.4
84.08112	1.2
85.02901	2.6
86.09695	1.2
87.04411	0.4
91.05456	1.0
93.07016	0.3
95.04957	1.5
95.08584	0.4
97.02888	1.5
97.06493	0.9
100.07598	0.3
103.05439	1.2
105.06951	0.3
106.04157	1.2
107.04948	1.9
108.02063	0.4
109.02838	0.6
110.03626	0.9
110.07171	0.6
111.04423	0.7
115.05450	2.8
117.07005	5.5
119.04956	0.3
119.08512	0.4
120.08089	1.3
121.02871	0.5
121.06423	0.4
122.03608	0.3
123.04424	5.7
124.05204	2.3
127.03912	0.7
127.05447	0.6
129.10205	0.9
131.04898	0.4
133.06456	0.3
134.03526	0.4
134.68030	0.3
135.04413	0.5
135.07942	0.3
136.07521	0.7
137.05937	0.6
142.02609	0.3
145.05170	0.5
145.06470	9.9
147.08046	0.3
148.07542	2.1
151.03876	1.1
152.04680	2.0
155.06058	2.2
155.07164	0.4
167.07022	100.0
168.07350	0.6
171.06488	1.3
173.05969	20.7
175.07498	0.7
181.04941	20.9
194.63661	0.3
201.05486	1.0
205.08559	4.0
221.07970	0.4
230.08096	0.5
233.08080	5.8
235.07480	0.5
235.09630	4.3
237.56828	0.3
244.43872	0.3
252.08638	0.8
255.03075	0.6
257.04672	0.9
271.06000	10.1
273.04199	0.9
281.04834	0.4
287.05600	1.0
297.04230	0.9
315.05252	1.3
355.11838	0.3
357.06454	0.8
369.13666	0.3
385.13712	0.4
387.14337	18.4
399.07391	0.4
417.09970	0.6
417.15411	11.5
417.20978	0.6
426.02716	0.3
519.15387	0.8
579.20691	50.2
580.21240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2069
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
50.94292	0.2
53.03929	0.6
55.01843	0.3
58.64826	0.2
61.02906	0.4
65.03922	1.0
67.05481	0.8
69.03423	1.8
69.03738	0.4
69.67480	1.8
70.06590	1.3
72.08115	0.5
73.02902	0.3
78.04710	1.9
79.05464	1.0
79.48597	0.2
81.03397	0.9
81.07056	0.4
82.04166	0.4
83.04948	0.3
84.04488	0.2
84.08140	1.3
85.02897	2.7
86.09676	0.7
91.05454	1.1
95.04945	1.3
97.02870	2.5
97.06531	0.4
98.03204	0.6
98.20657	0.5
99.04454	0.3
103.05450	1.1
105.03372	0.5
106.04160	1.2
107.04937	1.5
108.02028	0.3
109.02869	0.6
110.03661	0.6
115.05437	3.0
117.07005	5.8
119.08549	0.3
120.08142	0.3
122.03629	0.4
123.04427	6.0
124.05211	2.3
125.05965	0.6
127.03933	0.5
127.05447	0.7
129.10214	0.4
131.04889	0.3
134.03590	0.3
135.04352	0.4
137.02257	0.3
137.05937	0.5
138.03105	0.3
142.02597	0.5
142.79460	0.3
143.04941	0.3
145.06467	10.1
147.08051	0.6
151.03885	0.9
151.41852	0.2
152.04662	2.0
155.06004	2.4
161.05948	0.4
167.07022	100.0
168.07368	0.5
171.06425	1.3
173.05962	19.1
175.07515	0.5
179.03406	0.6
180.03677	0.4
181.04936	21.7
191.07030	0.3
201.05496	0.9
205.08591	3.7
220.06136	0.4
233.08047	5.9
235.07466	0.5
235.09630	4.4
338.66556	0.3
359.09302	0.4
367.32755	0.3
387.14349	17.2
402.13577	0.3
417.15393	12.4
549.79193	0.3
579.20697	44.4
580.21149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01860	3.0
55.05519	7.1
56.05023	5.9
57.03420	2.9
59.06121	1.4
60.04523	100.0
61.02916	2.0
67.05205	1.6
67.05501	15.4
68.05029	1.5
68.99804	1.8
69.03416	13.9
69.07064	7.6
70.06591	17.6
71.04971	5.5
71.59852	1.9
72.04497	3.5
72.08144	5.6
73.02921	3.1
74.06069	4.8
79.05493	16.4
80.04997	1.8
81.03410	12.1
81.07049	14.0
82.06567	2.7
83.04980	2.3
83.08611	2.6
84.04479	3.6
84.04979	1.2
84.08128	5.6
85.02895	20.9
86.06048	2.5
86.09702	8.1
87.00820	5.4
91.03948	1.8
91.05474	11.6
93.07043	13.3
94.06559	3.2
95.04959	7.6
95.08616	11.5
96.04485	1.5
97.02883	8.2
97.06514	4.8
97.10141	1.4
98.06054	2.2
99.04454	5.4
101.05990	1.4
102.05554	3.0
104.07072	3.3
105.01844	3.7
105.07034	7.3
106.06541	1.6
107.08595	7.1
108.08161	2.2
109.02872	10.3
109.06516	3.0
109.10153	3.3
110.07188	3.8
110.09729	2.1
111.08081	1.7
112.07586	2.1
112.17168	1.2
116.06964	1.5
117.07007	3.8
119.08569	4.8
120.08062	6.7
121.06538	2.1
121.10122	3.9
122.06036	1.5
123.04427	1.6
123.08076	2.0
123.11717	1.9
124.07578	1.5
127.03922	13.9
129.10240	3.6
130.06448	1.9
131.08571	2.4
132.08096	2.2
133.10121	4.1
134.09647	1.6
135.08040	2.6
135.11650	2.0
136.07558	3.0
137.06026	1.6
137.09575	2.1
140.10718	2.3
145.04941	3.7
145.10190	2.1
146.09631	1.9
147.04379	3.5
147.11656	2.3
149.02332	3.6
149.13274	1.7
150.02640	1.6
150.05530	3.6
151.06284	2.4
152.07008	2.5
155.08630	1.5
158.25653	1.2
159.02905	3.1
159.11676	1.8
192.06581	3.5
218.19162	1.2
221.08090	1.9
231.27913	1.3
244.20561	2.0
246.22218	1.5
258.22238	1.8
266.12332	1.7
269.08151	1.4
276.23239	5.5
287.05481	5.6
294.24173	9.5
310.11566	2.5
312.25287	27.9
330.26370	82.7
345.33807	1.4
354.26215	1.4
372.27380	3.0
465.02216	1.3
492.31122	2.6
524.35754	1.4
534.32556	6.7
542.36890	1.7
560.30408	5.8
578.31592	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01857	1.5
55.05502	5.5
56.05022	3.1
57.03431	3.6
57.07067	0.9
61.76430	0.7
61.93737	0.7
62.70993	0.9
62.94578	0.9
63.61857	0.7
65.56481	0.7
67.05498	8.4
68.05025	0.8
69.03408	2.1
69.07059	4.7
70.06590	4.6
70.73022	1.6
70.73364	2.2
71.05003	1.2
71.08623	9.9
71.85909	0.7
72.08135	2.2
79.05478	6.7
81.03400	4.3
81.07045	15.7
82.06580	2.4
83.04972	2.5
83.07348	3.4
83.08616	2.6
84.04459	1.0
84.08134	2.1
85.02938	1.6
86.06060	9.5
86.09702	1.2
91.05463	5.2
93.07030	4.8
95.04962	3.0
95.08611	4.2
96.08125	5.4
97.02911	0.8
97.06522	5.4
97.10139	1.1
98.06068	1.4
98.09682	100.0
98.34854	0.8
99.08077	6.4
105.06319	1.1
105.07006	6.8
107.04943	1.7
107.08589	2.7
108.08102	1.4
109.06526	2.3
109.10160	3.3
111.08115	0.8
116.10718	48.0
117.09087	0.8
119.08563	7.4
121.10139	3.8
122.09638	2.7
123.11691	3.8
124.07598	2.6
124.99992	3.6
129.06976	1.7
131.08583	2.1
133.10124	2.5
134.09509	0.8
135.10353	0.9
135.11591	0.9
138.09163	0.8
142.07733	1.0
142.12248	2.4
143.10651	0.9
145.10069	1.5
147.04390	2.4
147.11664	12.7
152.10677	1.1
157.10088	2.9
163.11169	1.9
165.12735	4.2
166.08630	1.1
173.11723	11.8
175.11183	3.6
178.06297	0.9
178.15889	4.3
184.07336	1.0
193.12128	2.2
196.07332	15.1
196.16946	35.4
203.13342	1.0
214.18001	16.3
215.07140	0.9
215.38112	1.0
221.09831	0.8
227.12798	1.2
229.14336	7.7
236.16537	0.9
252.09930	7.6
254.17497	3.0
258.51501	1.0
267.15833	3.0
270.10986	21.9
278.21445	0.9
283.15524	1.9
285.16901	8.8
290.21118	1.0
294.14673	3.0
301.16513	1.6
308.22134	25.0
326.23227	12.2
350.17230	8.0
368.18283	75.1
388.28348	1.9
406.20285	6.4
406.29459	38.2
462.22391	5.8
475.26993	1.0
480.23526	43.9
493.27692	1.7
560.30316	1.4
578.30780	2.7
584.90717	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	577.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16629	4.2
53.03942	7.1
55.01852	7.7
55.05507	37.7
57.03411	11.1
57.07081	8.0
67.05497	100.0
68.68753	3.7
69.07063	23.2
71.04984	10.6
71.08618	4.4
71.61198	4.4
73.63472	3.7
73.77808	3.9
79.05483	52.8
81.03402	6.5
81.07041	65.2
82.41648	4.6
83.04933	6.7
83.08620	21.0
85.06533	6.9
91.05459	51.2
93.07040	53.1
95.04933	16.4
95.08588	37.9
96.26948	3.9
97.06519	11.4
97.10148	20.9
105.07030	45.4
107.08582	36.8
109.06522	8.6
109.10147	22.4
111.08057	5.5
117.06998	18.5
119.08578	36.9
121.06556	6.7
121.10114	19.9
123.08102	7.2
123.11668	8.9
125.09600	21.5
129.06972	9.5
131.08548	26.0
133.10107	23.1
135.08072	6.3
135.11662	14.2
137.13223	4.9
141.07010	5.2
143.08568	10.1
145.10132	33.5
147.11673	15.3
149.09669	5.1
149.13239	6.1
151.11151	8.8
157.10062	13.9
159.11664	8.5
161.09576	5.8
161.13245	11.9
163.11201	6.7
163.14812	6.5
169.10059	6.8
171.11580	7.3
173.09673	4.9
173.13261	9.8
177.12679	5.2
179.14330	9.3
181.10158	5.4
185.13283	10.9
189.11183	14.8
189.16252	4.5
191.10643	4.7
192.01059	4.4
197.13168	4.8
199.14734	4.2
203.14433	4.8
205.12337	4.2
211.14711	4.5
213.16449	6.5
227.10771	4.3
227.12576	23.0
237.16556	4.3
250.28123	5.5
277.21579	5.9
283.15356	4.7
299.23392	4.8
301.22031	4.4
301.25204	16.1
315.23203	4.4
417.31693	4.6
418.24222	4.8
421.25665	7.7
435.32629	11.1
453.33475	12.1
471.34909	8.8
501.35638	14.6
509.36087	5.1
519.36975	36.7
527.31110	4.4
527.37408	40.5
545.38287	43.3
559.39380	7.5
577.40363	35.3
590.95245	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	577.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01868	3.9
55.05510	19.8
57.03431	12.6
57.07065	4.0
65.03922	4.4
67.05502	65.0
69.03413	3.7
69.07065	16.9
71.05007	3.1
71.08641	3.9
71.30950	3.6
74.74284	1.4
79.05488	52.7
81.03413	16.2
81.07054	71.8
83.04970	4.6
83.08604	11.5
85.02910	3.0
85.06561	2.4
87.75416	1.5
91.05471	34.4
93.07040	59.7
95.04961	9.0
95.08605	49.9
97.06506	5.5
97.10173	6.7
98.98461	100.0
99.04453	2.8
99.08096	3.4
100.58489	1.6
105.07021	26.7
107.04954	3.7
107.08590	37.4
109.02229	2.1
109.02860	10.9
109.06505	3.9
109.10143	28.6
111.04462	2.5
111.08105	3.0
116.99525	5.0
117.06995	13.9
119.08575	24.8
121.06464	2.0
121.10136	33.5
123.08072	4.9
123.11696	10.6
125.09598	2.4
125.38247	1.7
127.03921	3.1
129.07028	5.1
131.08568	24.2
133.10107	18.4
135.08066	3.7
135.11682	25.9
136.53894	1.7
137.09599	4.1
137.13268	4.8
139.11166	3.2
143.08519	4.4
145.10110	20.8
147.11711	12.5
149.02364	3.5
149.09641	3.0
149.13252	20.6
151.11180	3.2
153.12750	3.8
155.01036	92.8
157.10101	3.6
159.11703	10.7
160.58502	1.6
161.09660	2.2
161.13240	13.6
163.11201	5.0
163.14825	12.4
171.11714	2.2
173.13257	12.4
175.14832	5.2
177.12752	2.2
177.16505	1.4
179.14290	4.9
185.13243	2.5
187.14873	7.6
189.16252	2.0
191.14394	2.2
201.16438	2.0
205.15970	2.1
215.18042	2.1
217.16013	1.8
227.12827	3.7
233.22589	4.0
243.02628	3.2
243.21068	26.9
259.20618	3.8
261.22141	65.9
262.22610	1.7
275.20126	3.5
277.21582	5.5
283.15524	3.5
299.05106	1.7
317.06342	12.5
317.24741	12.2
333.24078	2.4
335.25790	71.2
351.25446	3.5
380.16174	1.9
415.22269	8.2
423.27444	5.0
541.35114	3.4
559.36072	6.2
577.12775	2.2
577.38226	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	577.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
54.51419	1.6
55.01870	6.3
55.05512	17.5
57.03435	11.2
57.07074	3.6
59.05018	2.0
61.02938	3.1
66.34244	1.8
67.05165	3.2
67.05503	46.4
69.03416	10.7
69.07059	19.4
69.38773	13.6
69.39185	4.6
71.04981	6.1
73.02903	7.6
77.03926	2.2
79.05492	60.7
81.03418	22.8
81.07055	46.5
83.04974	7.6
83.08618	10.8
85.02907	9.4
91.05471	47.6
91.05997	2.8
92.05787	2.7
93.07040	67.9
95.04948	13.9
95.08605	30.1
97.02899	5.2
97.06526	7.3
97.10166	3.5
97.40071	1.8
97.89223	1.9
98.20666	3.0
99.04456	5.4
99.08126	2.9
105.07031	57.0
106.07324	2.2
107.04945	3.9
107.08592	44.1
109.02869	11.9
109.06528	5.3
109.10148	18.9
110.03674	3.4
111.04446	7.0
111.08094	3.5
113.09695	2.2
117.07007	14.7
119.08577	45.7
121.06515	4.7
121.10123	27.8
123.08092	3.2
123.11690	3.6
125.09673	2.9
127.03923	7.9
128.06181	2.2
129.06981	11.9
131.08571	22.0
132.99562	3.4
133.10126	43.4
134.10518	2.1
135.08044	3.1
135.11678	33.6
137.09663	2.7
141.06981	3.3
142.07788	2.3
143.08569	11.6
145.10129	22.4
147.08041	1.9
147.11688	38.0
149.09653	7.3
149.13269	18.2
151.11162	2.3
157.10132	11.3
159.11700	16.8
161.09610	3.2
161.13249	27.4
163.11176	7.5
163.14842	5.5
169.10097	2.1
171.08095	1.9
171.11670	14.6
173.13271	12.9
175.11180	4.3
175.14828	11.7
177.12709	2.7
183.11679	2.9
185.13280	7.8
187.06114	1.9
187.14885	2.5
189.12723	2.2
189.16336	2.3
190.37949	1.9
191.00052	4.0
193.12210	3.4
194.12746	1.8
197.09348	2.0
199.14815	7.3
213.16547	2.5
217.19290	1.9
219.17302	4.2
227.12889	4.2
231.21056	4.8
241.19484	33.7
259.20560	77.0
261.22171	2.1
267.16010	8.7
268.16330	5.9
275.20068	4.6
277.21652	12.5
283.20544	2.1
300.15283	2.6
301.21530	2.2
333.24271	11.4
349.23712	4.7
351.25272	100.0
375.24951	2.8
385.10822	2.2
460.27805	6.2
467.20605	2.2
471.05911	1.9
478.28543	4.6
492.26724	5.8
541.34821	2.3
559.25598	4.1
559.35626	4.3
577.27026	3.4
577.37024	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01863	0.9
55.05258	1.3
55.05507	17.2
56.05013	1.0
57.03420	1.3
60.00980	0.7
60.04515	2.6
65.03922	1.2
67.05489	2.1
69.03418	2.5
69.07042	2.0
70.06594	7.2
71.04974	1.4
71.59821	1.1
72.08135	1.5
73.06555	7.0
74.06061	1.0
79.05486	2.2
81.03395	3.1
81.07047	3.1
83.04956	1.6
84.04523	1.8
84.08127	3.2
85.02906	3.6
85.06535	1.0
86.09689	3.6
87.00817	1.0
91.05469	2.2
93.07027	2.5
94.06550	1.4
95.04977	0.9
95.08607	2.0
97.02901	3.5
97.06497	3.7
98.06038	1.2
100.09022	0.7
105.06998	1.9
107.08589	1.7
109.02886	1.9
109.06522	0.6
109.10138	1.1
110.07172	0.9
115.05444	0.9
117.03344	1.0
119.08576	1.5
120.08083	1.9
121.02839	3.4
121.06492	3.9
121.10114	1.7
123.08037	1.0
126.09116	1.7
127.03909	2.3
129.06990	1.1
129.10229	1.0
130.47801	0.6
131.08574	1.7
133.10107	1.5
136.07574	1.4
137.05991	1.5
138.05598	0.7
138.26578	0.7
140.10680	0.9
143.08479	0.9
145.02788	4.5
145.07535	0.8
149.02332	100.0
154.08539	0.8
159.02890	0.9
161.05971	3.8
163.03854	0.9
167.03346	1.4
175.07538	12.7
177.05464	5.7
185.06070	0.9
203.07027	14.9
205.06424	0.9
221.08057	9.0
227.12915	0.8
233.05917	1.0
251.06996	1.5
258.08856	1.0
259.09763	0.7
265.08557	0.9
275.12756	8.9
292.07422	1.3
293.13812	58.6
307.09711	1.3
311.12698	6.1
314.13815	5.6
325.10431	4.0
338.13779	1.1
349.80585	0.8
351.08640	1.9
384.18021	1.4
462.19016	1.5
493.42908	0.8
522.37500	1.2
532.27747	1.2
540.38538	1.1
576.26788	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	576.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.05505	20.0
56.05016	0.4
57.03423	0.4
60.04509	1.4
65.03945	0.8
67.05489	1.6
68.99791	0.4
69.03414	2.8
69.07044	1.3
70.06580	3.8
71.59542	0.5
72.04492	0.4
72.08135	1.1
73.06165	0.7
73.06549	9.4
74.06067	0.4
79.05474	1.8
79.06444	0.3
81.03410	3.1
81.07030	1.7
83.04974	0.6
84.04481	1.4
84.08125	1.7
85.02890	3.8
85.06537	0.7
86.06086	0.4
86.09689	2.0
87.00801	1.5
91.05466	0.8
91.07571	1.0
93.07017	1.1
94.06601	0.3
95.04948	0.8
95.08586	1.4
96.08858	0.4
97.02877	2.1
97.06523	6.4
99.04439	0.8
105.01812	0.8
105.06984	1.0
107.08587	0.9
107.16363	0.4
109.02886	1.8
109.06494	0.4
109.10126	0.7
110.07163	0.6
111.04455	0.8
112.03917	0.7
117.07047	0.5
119.08546	1.0
120.08086	0.8
121.02862	2.2
121.06511	0.9
121.10142	0.8
126.09151	0.9
127.03922	3.5
129.10213	0.9
131.08557	0.5
135.04411	0.4
136.07547	0.5
140.10669	0.9
141.07042	0.4
145.02785	0.6
145.04964	0.6
145.10097	0.8
147.04320	0.4
149.02327	100.0
150.02724	1.0
159.08012	0.5
163.03893	0.7
167.03365	3.4
173.05962	0.5
174.09103	0.4
177.05426	1.1
181.08496	0.5
188.08328	0.4
190.04968	0.7
203.07025	2.9
207.44899	0.3
215.07037	1.2
221.08063	31.2
231.04822	0.6
242.07988	0.5
259.09668	1.5
284.14023	0.6
287.05414	0.9
293.13818	18.8
311.12552	4.4
338.13776	1.2
340.19257	0.5
366.16827	0.7
384.17978	1.4
485.17557	0.4
541.20013	0.5
576.34833	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	576.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01863	0.9
55.05258	1.3
55.05507	17.2
56.05013	1.0
57.03420	1.3
60.00980	0.7
60.04515	2.6
65.03922	1.2
67.05489	2.1
69.03418	2.5
69.07042	2.0
70.06594	7.2
71.04974	1.4
71.59821	1.1
72.08135	1.5
73.06555	7.0
74.06061	1.0
79.05486	2.2
81.03395	3.1
81.07047	3.1
83.04956	1.6
84.04523	1.8
84.08127	3.2
85.02906	3.6
85.06535	1.0
86.09689	3.6
87.00817	1.0
91.05469	2.2
93.07027	2.5
94.06550	1.4
95.04977	0.9
95.08607	2.0
97.02901	3.5
97.06497	3.7
98.06038	1.2
100.09022	0.7
105.06998	1.9
107.08589	1.7
109.02886	1.9
109.06522	0.6
109.10138	1.1
110.07172	0.9
115.05444	0.9
117.03344	1.0
119.08576	1.5
120.08083	1.9
121.02839	3.4
121.06492	3.9
121.10114	1.7
123.08037	1.0
126.09116	1.7
127.03909	2.3
129.06990	1.1
129.10229	1.0
130.47801	0.6
131.08574	1.7
133.10107	1.5
136.07574	1.4
137.05991	1.5
138.05598	0.7
138.26578	0.7
140.10680	0.9
143.08479	0.9
145.02788	4.5
145.07535	0.8
149.02332	100.0
154.08539	0.8
159.02890	0.9
161.05971	3.8
163.03854	0.9
167.03346	1.4
175.07538	12.7
177.05464	5.7
185.06070	0.9
203.07027	14.9
205.06424	0.9
221.08057	9.0
227.12915	0.8
233.05917	1.0
251.06996	1.5
258.08856	1.0
259.09763	0.7
265.08557	0.9
275.12756	8.9
292.07422	1.3
293.13812	58.6
307.09711	1.3
311.12698	6.1
314.13815	5.6
325.10431	4.0
338.13779	1.1
349.80585	0.8
351.08640	1.9
384.18021	1.4
462.19016	1.5
493.42908	0.8
522.37500	1.2
532.27747	1.2
540.38538	1.1
576.26788	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	575.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.7
55.01861	9.7
55.05508	38.5
57.03436	9.6
57.07074	8.3
59.04973	5.0
61.87415	4.3
62.66462	4.0
65.03939	7.2
67.05500	100.0
69.03419	8.2
69.07055	25.0
70.28764	19.0
71.04987	21.2
71.08583	5.8
71.91049	4.3
79.05485	72.0
81.03415	11.7
81.07053	84.6
83.04985	13.8
83.08607	25.8
85.06517	5.6
91.05470	56.2
93.07040	77.1
95.04975	25.3
95.08600	78.3
97.06543	8.8
97.10162	18.7
99.08068	9.4
105.07018	58.8
107.04935	8.7
107.08598	39.8
109.06520	9.6
109.10118	21.2
111.04387	5.2
111.08087	5.1
115.05475	4.5
115.63607	3.7
117.07009	33.4
119.08582	44.2
121.06483	7.5
121.10149	30.5
123.08046	9.1
123.11670	5.0
125.09637	15.4
128.06247	7.8
129.07011	17.2
131.08571	33.0
133.10118	31.0
135.11707	11.3
137.09616	7.0
141.06982	4.6
143.08514	19.9
145.06512	4.5
145.10117	29.6
147.08044	9.6
147.11670	17.2
149.09636	12.7
155.08525	12.2
157.10107	21.7
159.08086	5.0
159.11670	17.2
161.09636	6.1
161.13316	6.5
163.11226	8.1
166.27611	4.6
168.09319	5.7
169.10149	12.3
171.11700	17.5
173.09564	6.1
173.13289	11.4
181.10127	8.1
183.11758	12.9
185.13287	8.9
186.01144	4.9
187.14812	6.6
189.11276	7.3
193.12024	4.8
195.11807	6.7
197.13280	10.3
207.11852	6.3
207.13829	4.6
209.13362	5.4
221.13280	4.7
227.12785	25.0
275.19977	7.2
299.23587	8.2
314.27515	8.8
421.25638	8.8
433.30695	20.1
451.31985	12.9
499.33902	5.7
507.34454	7.0
517.35333	32.4
525.35895	35.9
543.36768	50.6
557.37561	13.6
575.39880	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.7
54.29232	2.3
55.01868	11.8
55.05501	54.2
57.03434	14.3
57.07066	5.7
59.05002	4.3
59.15854	2.4
65.03921	6.8
67.05496	100.0
69.03435	5.9
69.07059	32.8
71.04978	18.3
71.08633	3.8
72.18543	2.5
79.05484	80.2
81.03407	16.0
81.07045	84.7
81.07519	5.5
83.04965	10.5
83.08612	24.8
85.02883	4.2
85.06521	7.2
91.05467	72.5
93.07031	70.2
93.07618	3.7
95.04944	17.2
95.08593	69.8
97.02869	3.6
97.06506	15.1
97.10165	22.8
99.08082	10.2
103.05473	5.6
105.07021	63.7
107.04946	10.8
107.08575	39.5
109.06496	12.2
109.10148	28.1
111.08048	10.3
115.05444	6.1
117.07009	32.0
119.08566	46.9
121.06491	7.8
121.10113	30.7
121.71574	2.3
122.91417	2.4
123.08041	11.6
123.11715	6.4
125.09587	20.1
128.06221	7.8
129.06987	25.4
130.07745	5.7
131.08543	52.3
133.06471	5.0
133.10120	28.8
135.08041	16.2
135.11684	16.3
137.09587	6.0
139.11177	3.6
141.06963	8.4
142.07788	4.9
143.08543	29.5
145.10117	38.9
147.08035	6.5
147.11667	18.9
149.09579	7.7
149.13237	5.8
151.11191	3.3
154.07744	2.9
155.08531	17.6
157.10132	24.0
159.08014	7.0
159.11661	28.3
161.09549	6.4
161.13239	14.7
163.11180	10.1
165.12779	5.1
166.07800	2.5
167.08537	9.5
167.10768	3.5
169.10103	18.8
171.07928	4.8
171.11650	20.6
173.09584	5.7
173.11813	4.6
173.13246	16.0
175.11142	10.9
175.14789	5.7
177.12695	3.6
179.14287	3.6
181.10085	10.3
183.11665	16.4
185.13245	13.1
187.11037	3.6
187.14795	7.2
189.11189	11.2
189.12723	5.4
193.10172	4.4
193.12206	4.4
195.11662	15.1
197.13210	13.6
199.11295	2.4
199.14868	12.6
203.14496	2.8
207.11708	2.7
209.13284	9.6
211.14801	9.5
215.14326	3.0
217.15886	3.3
221.13179	5.1
223.14870	4.7
225.16455	4.6
227.12665	18.1
233.15134	2.7
235.14719	3.7
241.15802	2.8
241.19476	3.3
259.20575	3.0
267.15887	4.9
273.18509	9.4
275.19952	8.6
283.20593	5.9
285.21933	3.1
287.19946	4.0
291.19598	13.7
293.21286	3.2
295.20425	2.7
299.23672	12.4
301.21719	3.2
303.23337	2.9
321.22226	4.6
325.21512	2.9
339.23157	3.8
340.64560	3.4
347.22253	3.5
349.23514	4.0
359.25461	3.3
365.24030	2.8
389.27679	2.9
415.29895	8.0
421.25763	7.0
431.27869	3.0
433.30942	22.8
451.31912	20.1
469.33466	12.4
483.34863	5.2
489.33966	3.0
499.34143	4.7
507.34677	9.2
517.35175	36.6
525.35669	64.1
543.36707	65.0
557.38794	21.6
575.39862	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89682	2.3
53.03941	9.0
53.78419	2.6
55.01870	16.2
55.05507	56.1
56.57949	2.2
57.03433	15.3
57.07068	3.6
59.05007	3.3
65.03940	4.1
67.05505	100.0
69.03415	8.6
69.07066	32.9
70.31419	2.2
70.91860	4.4
70.92223	3.6
71.01344	6.5
71.05010	13.5
71.08618	3.5
79.05490	90.7
80.05827	2.7
81.03415	23.1
81.07053	88.6
83.04975	17.5
83.08613	24.7
85.02902	6.0
85.06548	8.3
91.05479	90.8
93.07040	73.4
95.04964	29.9
95.08604	60.4
97.02892	6.0
97.06511	17.0
97.10158	21.1
99.04361	2.1
99.08098	4.3
101.83321	2.6
103.05431	4.9
105.07027	78.9
107.04932	19.1
107.05541	2.2
107.08587	48.3
109.06513	14.6
109.10152	32.5
111.04456	5.6
111.08083	7.9
115.05442	6.2
116.06207	2.6
117.07022	34.4
119.04970	3.9
119.08581	56.6
121.06508	11.4
121.10141	27.6
123.08094	9.9
123.11710	5.1
125.09648	23.4
127.07487	2.8
128.06216	8.0
129.06993	24.2
130.07797	3.8
131.07594	2.8
131.08566	44.8
133.06488	5.3
133.10127	41.8
135.08069	10.4
135.11673	24.2
137.09554	5.7
139.11217	3.6
141.07001	7.2
142.07797	5.3
143.08551	21.4
145.06544	3.7
145.10103	42.7
147.08084	8.0
147.11665	28.5
149.09612	19.3
149.13292	8.3
151.11160	7.5
153.07005	3.6
153.09126	5.5
155.08583	8.5
156.09410	2.8
157.10103	24.3
159.08046	5.3
159.11694	26.5
161.05977	2.7
161.09659	11.3
161.13286	15.1
163.11197	17.4
167.08604	5.1
169.10162	11.6
171.08102	2.8
171.11604	16.9
173.09624	5.5
173.13290	10.1
175.11133	9.6
175.14836	8.4
177.12755	5.8
179.08601	3.8
179.14348	4.3
181.10074	3.9
181.12326	5.6
183.11649	10.0
185.09613	2.9
185.13228	14.7
187.11166	5.4
187.14784	4.7
189.11227	10.2
193.12257	9.5
195.11732	6.5
197.13297	4.5
199.11203	3.8
199.14833	8.7
201.12804	2.8
203.14374	3.5
207.11635	3.2
209.11639	5.8
209.13403	4.8
211.13159	5.6
211.14922	3.2
217.15945	4.5
219.13838	2.4
221.13136	3.1
223.13206	3.6
225.11165	5.0
225.16310	2.3
227.12724	20.8
235.16898	3.3
238.16985	2.2
239.14291	2.7
240.02747	2.7
241.19501	15.5
257.19040	6.6
259.20609	26.9
267.15887	9.9
273.18576	8.4
273.44986	2.8
275.20139	24.6
283.15408	10.8
285.21939	3.3
287.19855	3.9
291.19489	10.8
293.21124	7.3
297.22043	2.4
299.14880	24.7
299.20267	3.2
299.23734	5.7
313.21567	5.4
315.23322	3.1
333.24191	9.3
339.22989	2.6
347.22256	4.8
349.23816	6.9
365.23288	5.9
405.26013	2.8
421.26181	3.0
433.30936	12.9
447.29080	2.9
451.31979	7.6
465.29834	3.2
469.32770	5.0
483.30780	3.5
507.34711	3.4
517.35321	15.4
525.35754	34.0
539.33588	5.3
543.36591	30.5
557.35266	19.8
575.35217	29.4
576.18549	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	573.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.5
53.03922	4.5
55.01868	13.1
55.05264	2.1
55.05508	31.8
57.03424	4.7
57.97358	1.1
59.04982	3.0
65.03899	2.2
67.05498	38.6
69.03418	11.5
69.07062	32.6
69.36756	4.9
69.37180	7.3
71.01344	1.4
71.04970	5.8
77.03914	1.6
79.05487	43.9
79.05952	2.1
81.03410	14.0
81.07053	40.6
83.01329	5.8
83.04971	11.7
83.08617	12.9
85.02891	2.6
85.06530	2.0
91.05470	39.3
93.06476	2.1
93.07035	39.4
95.04961	18.3
95.08046	1.5
95.08605	20.0
97.02873	12.1
97.06505	7.5
97.10162	12.4
98.20697	2.7
99.04444	2.2
105.07024	24.2
107.01311	1.3
107.04950	14.4
107.08586	24.3
109.06515	7.8
109.10133	9.0
111.04401	3.6
111.08057	4.2
115.05428	1.8
117.07006	17.2
119.04922	1.3
119.08574	20.5
121.06517	7.9
121.10138	10.0
123.08083	8.1
123.11671	1.6
125.09625	9.4
128.06181	3.3
129.07007	7.5
130.07758	3.0
131.08566	14.2
133.06454	3.9
133.10133	8.1
134.07239	1.5
135.08032	5.3
135.11682	10.1
137.09598	2.8
143.08553	8.8
145.06450	2.5
145.10114	21.1
145.76323	1.5
147.08009	6.6
147.11662	5.8
149.09618	5.3
149.13255	3.6
151.11142	1.7
153.09100	1.7
153.12698	2.5
155.08513	3.1
157.10107	3.6
159.08020	1.7
159.11659	5.8
161.09601	3.7
161.13313	1.5
163.11147	15.7
163.12393	2.3
165.09064	1.8
169.10109	3.0
171.10266	1.5
171.11674	5.4
173.09644	2.6
173.13254	2.3
175.11174	4.0
177.12724	2.7
181.12291	2.5
185.13257	2.1
189.11188	4.2
189.12738	2.1
191.10666	3.3
193.12173	1.6
195.11693	2.6
205.12245	1.9
209.11717	5.2
215.14240	1.4
215.40102	1.8
223.13271	18.6
227.12793	6.1
237.16278	1.6
239.02919	2.1
245.19048	2.5
255.17374	2.4
273.18512	17.4
275.20041	5.7
276.90842	1.6
281.17316	1.8
283.15363	5.4
289.18100	1.6
291.19513	100.0
329.20825	1.8
336.49100	1.2
347.22311	1.7
349.23917	1.3
365.23108	1.7
467.30991	1.5
541.34796	3.1
555.33307	3.1
567.91595	6.6
573.34094	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87487	4.8
56.96560	58.1
66.18395	4.1
70.35122	17.4
81.74904	4.1
84.96035	29.7
85.02943	5.2
98.96998	8.2
98.97578	89.4
109.50706	4.0
110.97590	14.3
112.99141	19.5
116.98611	85.7
118.99377	4.2
124.99090	9.5
127.00813	4.7
128.98599	38.1
131.00151	66.4
133.01759	7.1
134.99634	48.5
137.03041	4.6
140.98608	11.8
143.00124	37.1
143.01892	7.2
145.01759	4.4
146.99643	48.3
147.03310	6.4
147.04359	23.6
149.01207	88.6
153.00699	10.5
158.99655	49.0
161.01219	100.0
161.02705	5.9
162.99199	6.1
163.02695	9.0
165.00778	6.3
167.02281	15.7
168.98026	4.7
170.99619	33.7
173.01332	4.4
175.02771	16.5
175.04308	4.1
177.00679	55.0
179.02299	25.6
182.99686	13.0
185.01221	7.8
185.02861	5.3
186.99164	12.1
187.02666	5.0
189.00687	60.5
193.00275	5.6
193.03824	27.5
195.01854	7.0
201.00685	76.4
203.02248	28.6
203.03970	6.0
205.00195	35.1
207.01785	7.4
211.04906	19.2
217.03915	5.4
219.01752	97.3
221.03259	12.2
223.01167	27.8
226.68149	4.6
229.00224	12.3
231.01740	10.8
235.04816	6.6
237.02814	49.0
243.01735	23.9
245.05298	10.4
246.05347	7.0
247.01151	14.3
247.04819	17.6
248.99098	13.4
249.02754	10.4
255.03902	5.9
261.02789	95.3
261.06357	11.9
267.00256	21.9
269.92059	4.8
273.02902	6.8
277.05811	5.1
279.03812	59.7
281.05533	5.3
287.04404	6.0
291.00256	28.2
291.03891	31.7
293.07047	4.7
301.63477	4.2
305.05325	19.9
307.03400	6.0
309.01282	25.0
309.04745	9.3
311.41641	5.6
321.01221	12.5
321.04974	58.9
321.08478	5.5
331.03342	5.3
333.04874	14.1
349.04114	30.0
351.02194	6.5
351.06003	18.2
354.44070	4.4
367.05389	59.0
367.09479	7.5
375.02408	24.2
381.06946	13.5
382.68097	4.2
393.03140	35.0
393.07559	4.5
399.08173	14.0
411.04251	37.5
469.08560	18.4
537.07452	15.3
555.08722	54.8
573.09564	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93751	0.4
55.05512	0.8
57.03426	0.5
57.07072	2.5
64.02145	0.4
67.05503	3.2
71.08627	1.9
71.60638	0.6
76.29554	0.5
79.05493	2.1
80.05808	0.7
81.07073	2.3
85.10159	1.4
87.10047	0.4
89.06015	1.8
91.05481	1.9
93.07045	2.1
95.04975	1.3
95.08588	2.6
98.98448	3.2
105.07033	1.3
106.07291	0.6
107.08575	1.4
109.06516	0.5
109.10153	0.9
117.06998	1.2
118.06533	3.7
119.07306	2.7
119.08574	0.8
121.10052	0.7
123.04450	0.5
123.11700	0.4
124.99998	11.6
131.08580	0.8
132.08072	0.7
133.08600	0.9
133.10144	0.8
134.09642	29.8
144.08064	9.4
145.08858	4.6
157.10150	0.5
159.11725	0.5
159.73192	0.4
160.11206	100.0
161.11577	1.0
178.12256	88.5
236.13441	0.5
256.81067	0.5
258.08893	65.5
276.90973	0.9
289.91486	0.5
310.09708	0.5
313.27374	1.2
318.92072	0.5
329.54587	0.4
332.12561	1.0
449.24887	0.5
478.33691	0.5
537.19617	0.5
552.34406	6.9
565.90894	1.6
570.35284	21.2
588.45837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.5
55.01847	8.7
55.05499	24.8
56.36816	4.6
57.07064	7.0
64.79908	5.6
67.05496	32.9
69.03421	23.4
69.07056	18.1
69.26463	34.4
69.26893	22.6
70.06577	16.5
71.04995	28.7
72.08136	12.9
73.57892	4.8
79.05488	35.0
81.03410	21.6
81.07048	100.0
83.04984	11.0
83.08606	11.4
84.04478	7.1
84.08125	9.9
85.02895	33.1
85.06567	8.0
86.09717	15.0
87.00824	13.9
91.05473	23.6
93.07043	60.1
95.04974	12.4
95.08590	50.2
95.17744	4.8
97.02898	18.4
97.06536	20.0
98.97659	4.8
99.04414	5.7
99.08106	8.2
105.01846	10.3
105.07018	46.3
107.08585	59.7
109.02853	14.5
109.06490	10.7
109.10148	53.1
111.08081	11.3
116.06335	5.4
117.07006	7.1
119.08577	52.1
121.10120	47.4
123.08065	6.9
123.11702	16.2
125.05985	6.5
125.09617	13.0
127.03909	22.5
127.11205	26.5
127.60174	6.3
131.08556	21.2
133.10129	40.3
135.08008	10.4
135.11667	20.9
137.09619	11.5
142.07829	6.2
143.08546	9.1
143.10663	35.4
145.10120	33.6
146.97455	11.8
147.11705	31.5
149.13268	29.8
151.11168	13.8
157.10184	17.7
159.11658	38.0
161.13245	10.0
163.11163	9.1
163.97681	6.5
165.12762	7.9
173.13274	13.1
177.16394	10.0
185.13289	5.8
189.16380	17.3
199.14790	12.0
201.16356	51.3
205.15892	16.5
205.98784	9.8
213.16396	7.6
219.17403	9.9
223.14995	6.2
223.16891	29.2
225.88689	6.4
234.89973	27.7
248.87889	9.0
250.89470	6.5
266.88776	12.0
269.22610	18.2
276.90945	33.3
287.23639	26.7
289.91876	12.2
298.88550	5.4
305.24725	40.9
318.91910	21.3
323.26105	7.4
331.92792	12.7
363.89484	5.6
529.88702	6.2
547.90582	7.2
565.91101	80.3
566.91229	20.4
571.31738	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	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01868	9.7
55.05503	4.4
56.96574	1.1
57.03432	2.8
57.07063	1.4
61.02928	2.0
65.03918	1.6
67.05495	6.4
69.03423	11.4
69.07069	10.9
69.85156	2.8
69.85577	4.6
70.06247	1.2
70.06583	6.4
71.04980	6.7
72.08160	2.1
72.08591	1.0
77.05820	1.1
79.05483	12.3
81.03416	23.2
81.03857	2.2
81.07052	22.6
83.04978	3.7
84.04511	1.2
84.08126	3.7
85.02898	5.7
85.06512	5.5
86.09698	5.8
91.05483	7.6
93.07042	27.9
94.07357	1.6
95.04971	6.8
95.08595	14.8
97.02888	3.9
97.06531	14.0
99.04436	9.6
105.07022	22.3
107.04973	1.9
107.08590	38.7
109.02871	28.6
109.06511	9.9
109.10164	4.8
111.04457	2.8
111.08060	6.2
113.06013	3.2
117.07014	2.8
119.04935	4.7
119.08583	9.2
120.08109	1.7
121.06506	9.2
121.10133	25.8
122.10498	1.8
123.04414	2.1
123.08061	7.2
125.02406	1.9
125.05983	2.3
127.03918	17.6
127.07574	1.4
131.08549	3.4
133.06535	1.3
133.10107	3.9
135.08064	4.3
135.11684	10.4
137.05983	2.1
137.09555	1.1
139.07529	3.4
139.11148	2.5
142.90417	1.1
143.08536	1.5
145.04961	1.6
145.10109	23.4
146.10509	1.8
146.97467	1.8
147.04404	23.2
147.08058	1.9
147.11690	5.0
149.05971	2.5
149.09596	10.9
151.07550	7.4
153.12697	1.9
157.08594	1.5
161.09555	1.4
163.03893	2.3
163.11172	61.8
163.97711	2.2
167.10663	20.5
169.08589	69.5
173.09657	4.3
179.10654	1.7
181.12202	17.6
184.07413	3.9
185.11717	4.0
191.06981	1.8
191.10663	32.0
209.11716	42.8
215.07103	2.3
227.12767	100.0
228.13248	2.0
234.89935	3.4
245.13858	2.7
248.87807	1.4
255.12320	2.4
258.61746	1.2
259.09485	1.7
266.88937	2.1
269.13876	4.0
271.13242	3.0
276.91043	7.7
277.10675	1.7
289.14331	6.5
289.91800	2.1
293.13956	2.3
317.13791	4.8
318.91916	2.4
331.92798	3.7
335.14920	6.9
353.15921	62.4
354.16211	1.3
371.17010	16.3
389.18152	2.3
451.83405	1.2
478.15817	1.5
547.90070	1.6
565.90979	12.5
570.20197	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	569.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.1
61.02937	4.3
67.05501	29.2
69.03418	12.4
69.07064	9.9
69.61832	3.0
69.62141	26.8
70.06583	11.7
71.04987	4.0
72.08163	7.8
79.05489	15.7
81.03420	15.4
81.07063	25.6
83.04985	6.1
84.04452	3.3
84.08137	7.7
85.02902	12.0
85.06529	7.6
86.09669	6.7
91.05493	14.0
93.07029	18.7
95.04976	10.7
95.08601	45.8
97.02901	11.3
97.06511	16.4
105.07017	16.6
107.04968	5.1
107.08590	12.8
109.02872	9.7
109.06536	6.9
109.09547	3.5
109.10174	26.5
111.08116	3.1
113.05985	3.6
119.08610	16.7
120.08087	4.0
121.06479	4.8
121.10151	14.6
123.08070	14.8
127.03932	8.5
129.06972	3.5
131.08615	5.6
133.10144	7.2
135.11671	12.0
137.09612	49.5
145.10112	6.1
147.11682	6.8
149.09616	27.3
151.07539	4.3
153.01820	5.3
159.11710	4.0
161.13316	5.8
163.04054	3.8
165.09125	46.5
171.11757	6.0
173.09477	3.6
173.13269	4.2
184.07390	6.7
189.12732	16.0
192.37773	3.4
201.11250	4.3
207.13814	39.3
225.14868	4.0
229.75040	3.7
259.09439	5.0
274.91617	5.2
287.28287	3.5
291.12067	3.5
309.13351	12.6
395.14572	7.1
477.15323	5.2
551.19409	19.3
551.27252	5.9
563.91650	16.6
564.91260	5.3
569.19788	100.0
569.28918	26.1
570.20020	8.3
578.15546	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	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09219	0.2
55.05509	0.6
61.52934	0.2
65.15007	0.2
66.61564	0.2
67.05511	0.5
68.88540	0.2
69.03438	0.2
70.06577	0.3
71.05069	0.6
79.05507	0.3
81.07059	0.5
84.91331	0.3
85.02914	0.5
91.05459	0.5
93.07038	0.4
95.08614	0.4
107.08581	0.4
119.08567	0.3
124.99934	0.3
129.50914	0.3
133.10051	0.3
137.06128	0.3
145.10133	0.3
185.04192	0.4
187.01964	0.3
203.05287	0.7
204.04739	0.2
232.90327	0.3
253.12860	0.6
259.07916	0.9
271.13907	0.5
274.91647	0.3
331.09879	0.5
345.11230	0.3
375.12112	0.2
407.24069	1.3
457.20486	2.4
471.22067	2.0
479.26505	0.3
487.21439	0.7
551.18945	0.5
551.27942	0.3
563.91321	0.7
564.92181	0.3
569.29236	100.0
570.21265	0.4
570.29211	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	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38728	0.2
55.05509	0.4
58.13607	0.3
58.98490	0.3
67.05499	0.8
68.36427	0.2
69.03422	0.4
69.07050	0.3
69.62759	1.9
72.02628	0.2
78.26051	0.2
79.05479	0.6
81.03410	0.8
81.07048	0.7
85.02909	0.4
86.09731	0.3
91.05467	0.5
93.07030	0.7
95.04975	0.4
95.08591	0.4
97.02854	0.3
97.06553	0.5
98.88102	0.3
103.36980	0.2
105.07038	0.5
107.08596	0.5
125.09626	0.3
129.07014	0.3
133.10109	0.4
153.01926	0.3
184.07315	0.4
185.04247	0.4
203.05281	1.4
206.69023	0.3
222.07794	0.2
253.12753	0.5
259.07965	1.1
271.13867	0.7
274.91513	0.3
309.17273	0.3
316.92252	0.3
325.15875	0.3
329.93454	0.3
331.09763	0.3
407.24170	0.7
428.65628	0.3
455.86923	0.2
457.20575	2.7
471.21960	3.2
479.26135	0.4
487.21295	0.9
551.18622	0.4
563.91699	1.3
569.29230	100.0
570.20880	0.4
570.29218	1.9
581.93658	0.3
590.28662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24496	0.4
56.05019	0.8
56.96558	0.6
60.04522	2.2
67.05502	0.4
69.03422	0.7
69.07060	7.7
70.06585	8.8
72.08125	0.5
75.05591	1.4
81.03398	0.6
83.06087	3.7
84.04507	0.7
84.08120	0.9
85.02896	1.4
86.06063	0.8
86.09698	100.0
87.04459	1.7
91.05472	2.1
93.04488	1.9
95.06091	3.1
95.08585	0.7
97.02888	0.9
98.97582	1.4
102.05557	0.5
104.07101	3.0
110.07156	62.1
112.03957	10.3
115.05428	0.4
116.98604	0.9
119.04942	1.7
130.06462	0.8
132.04474	0.5
137.05916	0.4
139.05009	0.8
140.07083	0.5
143.11780	7.7
145.04962	0.5
147.04390	6.4
148.04745	1.6
156.07672	74.8
157.07652	1.6
157.09761	1.2
158.06041	0.9
159.09242	0.5
166.06108	1.0
169.06046	4.5
175.08665	1.6
178.13495	0.5
182.08002	0.5
185.09276	0.8
187.07281	0.7
189.56958	0.3
199.07559	0.3
207.15895	0.4
223.15425	0.7
234.12413	0.5
241.08527	0.5
243.10077	0.8
249.88589	0.4
251.15007	2.6
254.14967	2.1
269.16068	19.9
272.07822	0.5
272.16028	7.7
279.06476	0.7
281.10605	0.5
289.04611	0.4
300.15533	23.2
309.72092	0.4
366.14453	1.7
375.14355	2.1
382.24268	0.4
382.96359	0.5
384.13492	0.4
385.24420	0.7
413.23975	3.1
425.14713	0.7
439.26593	1.1
550.29712	2.2
568.30896	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	568.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
55.05503	7.8
56.05021	3.1
56.96563	12.1
57.03432	5.1
58.69775	1.7
59.04978	2.0
60.04511	2.5
61.02912	6.4
65.03925	2.3
67.05508	9.5
68.05009	2.4
69.03434	18.9
69.07056	9.5
70.06593	21.1
70.26720	8.8
71.04990	6.1
72.08146	3.6
73.02884	2.4
79.05491	11.3
81.03426	13.1
81.07053	25.7
83.04980	16.7
83.08618	9.0
84.04499	8.8
84.08144	6.6
85.02419	3.2
85.02903	39.9
85.06526	4.9
86.06062	11.4
86.09692	7.3
87.04467	12.9
91.03942	4.7
91.05460	25.4
93.07044	20.8
95.04966	38.5
95.08602	18.1
97.02906	11.9
97.06525	9.9
97.10227	1.9
98.06043	5.8
98.20879	2.4
98.97570	2.1
99.00809	2.3
99.04446	11.7
104.07096	17.9
105.07019	33.5
107.04985	2.0
107.08591	30.5
109.02877	5.0
109.06512	22.4
109.10152	36.6
111.08064	3.1
112.07592	4.1
113.51070	1.9
115.07551	4.7
116.98611	2.3
119.04934	14.2
119.07784	3.1
119.08576	34.7
120.08148	2.7
121.10151	26.3
123.08047	9.1
123.11691	6.6
124.03927	3.3
125.09663	5.0
127.03894	10.3
129.06993	2.8
129.10196	2.9
131.08554	16.7
133.10130	61.8
135.08003	10.8
135.11691	14.3
136.07542	3.4
137.06000	3.6
139.11139	4.3
143.00163	6.3
143.08511	3.1
145.04948	11.5
145.10098	10.7
147.04405	65.2
147.11690	20.2
148.04762	6.0
149.05971	3.9
149.09612	8.8
149.13249	12.7
151.11182	6.4
153.07004	3.2
153.09079	12.3
156.43053	2.2
157.09819	2.3
158.10898	5.5
161.01208	7.9
163.03822	3.3
163.06024	3.4
163.14833	4.4
165.12733	4.6
167.14342	6.4
173.13257	46.2
175.14813	100.0
177.05452	5.3
181.06474	7.6
185.01205	3.1
187.02873	2.5
189.00648	2.7
191.14302	53.8
191.16013	2.6
193.12270	10.2
195.08044	3.0
203.02342	2.4
209.15350	67.4
210.14774	2.1
213.00742	2.5
213.04294	3.8
213.09076	5.8
227.16426	23.4
239.02251	9.0
241.08588	7.4
249.02925	2.7
257.03323	12.0
258.68161	1.9
267.15958	3.9
273.11221	23.8
278.17496	2.6
285.16953	11.1
293.07986	7.5
324.11328	2.7
325.10861	12.7
333.03003	2.7
335.08636	2.9
344.20633	3.9
353.10080	16.8
362.21603	6.1
370.21805	4.5
374.24240	2.3
388.23141	18.0
395.06567	8.3
406.14075	1.9
413.07532	10.7
417.14252	2.7
550.28619	20.6
551.10107	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	567.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
57.45152	0.5
63.21986	0.5
67.05501	3.4
69.37402	0.5
69.87090	3.3
71.04985	0.5
71.94641	0.5
79.05499	1.7
81.03413	2.5
81.07048	2.4
83.04987	1.1
83.24168	0.5
85.02909	1.6
91.05470	2.0
93.07051	1.9
95.04966	0.8
95.08615	1.2
97.06543	0.6
98.20756	0.8
100.68356	0.6
105.07050	1.7
107.04951	0.7
107.08593	1.0
109.10146	1.4
111.08074	0.8
119.08603	1.2
129.07053	0.7
130.66653	0.6
131.08582	1.3
133.03647	0.5
133.10091	0.8
149.09671	1.0
184.07249	0.8
185.04263	1.5
193.12233	0.8
196.34520	0.5
201.03688	0.6
203.05305	1.3
213.11182	0.6
251.12810	0.8
259.07993	1.5
267.16064	0.9
283.06271	0.7
283.15158	11.1
307.15179	1.3
331.09894	1.2
339.17822	4.3
405.22549	1.5
549.30475	0.8
567.27606	100.0
568.28729	1.9
579.92657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.05499	0.6
57.03423	0.9
67.05489	2.2
69.07051	0.4
71.04995	0.9
71.05387	0.7
79.05473	1.6
81.03416	2.4
81.07056	2.7
83.04977	0.4
83.08617	0.7
85.02897	1.3
91.05484	1.8
92.01254	0.4
93.07055	1.8
95.04947	0.9
95.08602	0.6
97.06538	0.3
105.07041	1.4
107.08587	0.9
109.02838	0.3
109.10137	0.7
111.08092	0.6
119.08596	1.2
120.09210	0.3
121.10126	1.1
129.07007	0.5
131.08563	0.7
133.10144	0.9
147.11703	0.9
149.09682	1.0
157.10123	0.6
175.11211	0.6
179.10654	0.3
193.12254	0.9
227.08559	0.4
233.11525	0.7
251.12592	1.1
267.15793	0.5
283.06363	0.6
283.15146	10.6
285.17032	0.5
301.07370	0.3
307.15237	1.2
339.17773	5.5
477.25000	0.4
567.31384	100.0
568.31659	2.2
579.92493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2771
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
55.05478	2.9
56.17405	0.8
56.96535	0.9
57.03421	1.5
67.05496	8.3
69.03402	1.7
69.07048	2.2
69.39451	3.4
69.39871	3.4
70.06569	0.7
74.33871	0.8
77.43299	0.8
79.05443	3.0
81.03407	6.1
81.07060	4.8
83.01059	1.1
83.04933	1.2
83.08572	1.6
85.02867	1.2
86.09676	1.5
91.05427	3.2
93.07004	3.3
95.04917	1.6
95.08556	2.3
97.02832	1.4
97.06513	1.1
105.06949	2.2
107.04877	1.2
107.08549	1.5
109.02831	1.2
109.06453	1.0
109.10143	4.5
117.06974	1.1
119.08539	1.7
121.10088	1.3
127.03769	0.8
131.08508	0.8
133.10080	0.8
137.09537	0.7
145.10088	1.1
147.11644	1.1
160.73994	0.7
173.11699	1.2
177.37947	0.7
184.07262	2.8
203.05244	1.5
232.67583	0.7
251.12447	2.2
259.07779	1.9
283.15134	1.0
307.15036	1.3
331.09799	3.1
331.17557	2.2
339.17764	1.3
355.17517	0.9
385.43576	0.8
387.21295	1.3
405.21622	2.0
413.17514	0.8
423.27399	0.8
455.18445	1.4
469.20557	6.6
497.20093	0.8
549.26636	30.7
561.91266	1.4
567.27319	100.0
568.27765	4.1
579.91858	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	567.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.8
57.03416	1.2
67.05495	5.6
69.07030	0.7
69.70268	0.6
70.06582	0.8
77.66526	0.6
79.05463	2.9
81.03387	3.1
81.07044	4.1
83.04952	1.1
83.08603	0.7
85.02888	1.3
86.09671	0.8
86.57714	0.6
91.05457	1.4
93.07018	2.8
93.46343	0.7
95.04971	1.2
95.08585	1.9
97.02856	1.3
97.06506	1.9
98.20682	1.2
105.06985	0.9
107.08526	1.1
109.10128	2.4
111.08020	0.7
116.64043	0.7
119.08527	1.3
120.07988	0.7
130.97839	0.7
133.10043	0.8
134.37373	0.6
157.10188	0.6
184.07281	0.9
185.04230	0.8
203.05272	0.8
223.64162	0.7
229.69882	1.1
229.77266	0.8
259.07794	1.6
261.10629	0.7
283.15109	1.4
331.09918	1.1
331.92572	0.9
405.22021	1.3
477.24249	2.1
479.25073	0.8
505.61206	0.7
538.91290	0.7
561.91815	1.4
567.27484	100.0
568.27924	2.8
579.92169	2.1
589.97345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01860	1.5
55.05499	6.8
56.05020	1.7
57.03439	2.9
61.02922	6.2
67.05495	5.1
68.05021	1.2
69.03426	8.3
69.07051	1.9
70.02940	0.7
70.06188	0.9
70.06586	17.2
71.04987	64.1
71.59760	1.0
72.08157	3.9
73.02911	5.6
74.06103	0.9
79.05488	5.5
81.03396	4.2
81.07051	3.2
82.06570	1.1
83.04986	1.5
83.08609	3.5
84.04496	2.8
84.08131	7.5
85.02896	8.5
86.06075	4.0
86.09714	4.3
87.04443	1.2
88.03987	3.3
91.03941	2.6
91.05466	2.5
93.07031	3.6
94.06590	0.6
95.04943	1.1
95.08603	1.3
96.08116	7.1
97.02879	6.8
97.06528	0.8
97.10172	5.5
98.06055	3.2
99.04456	1.1
100.07605	0.7
101.02354	1.1
102.05520	1.0
102.69656	0.5
103.05419	0.7
104.07107	0.7
105.07011	2.1
106.06567	0.7
107.04893	0.8
107.08587	5.2
109.02857	1.7
109.10181	1.3
110.07173	1.5
111.08075	2.0
112.07573	3.7
114.05518	0.7
115.03917	0.9
117.07007	0.6
119.04945	0.6
119.08594	1.1
120.08092	4.9
121.02843	0.8
121.06518	0.7
121.10117	0.9
123.08099	1.0
124.03933	0.8
124.07599	3.2
125.09584	4.2
127.03914	2.2
129.06898	0.8
129.10236	2.0
131.08458	0.8
135.08073	4.2
136.07602	2.0
139.03935	0.7
141.07817	1.1
142.08588	2.9
145.04955	1.0
145.06201	0.6
147.04451	0.9
149.01219	0.6
149.05963	0.6
149.09575	0.6
153.09053	3.7
156.07704	0.8
158.08118	3.8
163.11214	0.8
170.08128	2.0
189.11183	1.3
193.12100	0.6
207.13858	0.6
210.11319	0.7
227.12704	1.0
250.14340	0.6
252.09358	1.0
254.17685	0.7
269.47122	0.6
270.21082	0.6
287.05511	0.8
303.05103	1.4
328.21204	1.7
394.22778	0.7
404.22787	2.7
490.26495	1.2
534.29077	1.7
566.28040	100.0
567.28290	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	566.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
53.21045	0.6
55.01854	1.9
55.05509	7.6
56.05020	2.1
57.03416	3.4
58.06607	0.6
60.04526	0.9
61.02914	6.9
64.42952	0.5
67.05491	5.2
68.05002	1.5
69.03422	8.4
69.07062	2.3
69.47713	5.2
70.02954	0.7
70.06585	18.0
71.01356	0.7
71.04987	69.7
71.06904	1.7
72.08147	4.2
73.02914	5.6
76.02237	0.6
79.05483	7.8
81.03410	4.0
81.07055	3.3
83.04954	1.4
83.08625	3.7
84.04497	3.0
84.08138	9.5
85.02901	8.9
85.05275	1.0
85.06507	0.8
86.06045	5.4
86.09695	6.8
87.04465	0.9
87.05566	0.7
88.03992	3.3
91.03957	3.3
91.05458	3.7
93.07021	3.6
94.06579	1.0
95.04968	1.9
95.08595	1.8
96.08127	7.6
97.02888	7.0
97.06531	1.3
97.10167	6.1
98.06058	3.2
98.97621	0.6
99.04464	1.4
101.02347	1.1
102.05531	1.2
104.07105	0.7
105.07037	1.7
106.06521	0.7
107.04940	1.1
107.08587	5.1
109.02876	1.5
109.06521	1.1
109.10158	1.5
110.07165	1.4
110.09695	0.7
111.08084	2.2
112.07602	4.3
113.65076	0.6
115.03996	0.7
117.07011	1.4
118.10981	0.8
119.04929	0.6
119.08579	1.8
120.08116	5.2
123.08042	1.2
124.07578	3.7
125.09608	5.5
127.03889	1.3
129.10204	3.8
133.10167	1.1
134.99580	0.8
135.08032	3.7
136.07550	1.7
137.09624	0.9
141.07777	0.8
142.08641	3.5
149.01215	0.9
149.09608	0.7
152.07082	0.8
153.09129	4.0
158.08134	4.8
163.11246	1.1
170.08110	2.1
173.09344	0.6
177.12663	0.7
189.11258	1.4
197.79324	0.7
219.11325	0.6
223.13326	0.9
227.12737	1.0
252.09444	1.3
254.17528	1.1
303.05093	0.9
328.21179	1.9
386.21533	0.7
404.22644	1.4
405.37155	0.7
457.48483	0.7
490.26657	2.0
526.69641	0.7
534.28906	1.7
566.28009	100.0
567.28210	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	565.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	22.0
57.03446	8.5
57.07079	38.3
58.53635	4.4
67.05506	44.1
69.07057	15.9
71.08632	25.8
71.61419	5.1
73.50337	4.0
79.05483	31.1
81.03423	35.5
81.07054	40.2
83.04973	7.2
83.08593	16.5
85.10188	9.5
91.05474	25.1
93.07056	29.4
93.36514	4.0
95.04960	66.2
95.08607	35.0
97.10175	10.1
105.07012	21.0
107.04958	15.4
107.08572	20.2
109.02871	12.4
109.06526	9.6
109.10165	25.6
117.06996	12.0
119.04913	6.4
119.08586	23.5
121.06480	8.0
121.10146	16.0
122.00419	5.5
123.04430	72.4
125.09637	5.5
128.03331	4.0
129.06917	8.9
131.08519	11.2
133.10112	18.6
135.11674	17.3
137.05908	6.1
137.09651	5.7
143.08531	9.4
145.10152	25.2
145.11105	4.7
147.08063	6.2
147.11662	7.4
149.09659	7.6
153.09023	8.1
157.10123	9.8
159.93095	4.6
161.13261	6.7
163.11172	17.3
171.11647	14.6
173.09627	10.0
173.13281	5.6
189.12724	12.9
195.11613	6.9
199.14876	7.2
207.13768	16.8
217.12167	7.2
235.13248	100.0
239.23615	10.1
309.16913	67.9
313.27353	85.9
515.85535	4.7
547.39948	54.0
565.40417	31.9
572.83105	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	565.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54334	4.7
52.57558	5.5
55.05495	9.5
57.07069	7.1
57.29358	4.7
57.81248	5.1
65.03921	5.6
67.05492	24.8
69.07056	24.8
71.60065	9.4
79.05479	21.7
81.07040	45.9
83.08590	11.5
91.05463	33.1
93.07031	38.7
95.04951	11.1
95.08603	34.8
105.06367	8.2
105.07010	69.8
107.08568	57.0
109.06505	8.3
109.10157	56.6
117.07003	15.9
119.08566	100.0
121.10134	54.6
123.08028	7.2
123.11684	16.3
128.06241	7.6
129.06944	12.4
130.07700	6.9
131.08553	27.2
133.10078	43.6
135.07951	6.5
135.11636	30.2
141.07001	6.4
142.07773	16.6
143.08542	33.4
144.09370	7.2
145.10104	54.4
147.11693	19.4
154.20877	5.4
155.08527	19.5
156.09344	15.5
157.10097	55.8
158.10892	5.7
159.08064	7.1
159.11674	30.5
161.13332	11.2
165.06956	7.6
167.08598	11.4
167.10619	6.7
169.10124	18.6
171.11679	19.4
173.09579	10.8
173.13257	15.5
175.14758	24.1
181.10104	19.1
182.10828	11.9
183.11679	30.5
185.13246	14.4
187.11070	7.6
187.14754	7.6
193.10143	13.3
195.11673	21.7
197.13269	29.6
199.11134	11.9
201.12698	5.7
201.16432	7.6
206.10895	7.4
207.11667	9.7
208.12422	7.5
209.13235	12.4
211.11183	6.0
211.14804	8.6
219.11684	5.2
223.14795	17.9
233.13217	6.9
235.14813	10.0
239.18001	7.7
271.20462	6.2
273.18396	27.8
279.21024	5.9
299.20078	39.8
473.33893	6.0
537.91412	6.0
565.40204	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01857	8.7
55.05500	20.9
57.03432	24.4
59.68098	3.5
61.02914	9.5
65.03924	4.4
67.05499	65.1
69.03413	12.1
69.07066	28.0
69.32384	10.0
69.32802	26.9
71.04980	7.4
79.05488	57.2
81.03416	22.0
81.07051	62.4
83.04970	15.4
83.08603	14.0
85.02899	12.4
85.06535	5.4
86.09688	4.5
91.03972	3.5
91.05482	43.4
93.07034	54.3
95.04948	15.5
95.08600	33.3
97.02869	8.0
97.06526	47.9
97.10120	4.2
99.08095	5.5
105.07024	30.1
107.04923	9.6
107.08596	28.4
109.06468	6.1
109.10133	15.9
111.08048	5.4
117.06988	15.0
118.51890	3.3
119.08553	24.6
121.06513	5.0
121.10119	14.3
123.04369	4.0
123.11730	6.2
125.09594	8.6
127.03931	4.3
129.06937	5.3
131.08533	20.2
132.58958	3.5
133.10123	20.4
135.08009	5.8
135.11655	18.8
137.09644	5.1
143.08557	4.2
145.10097	17.2
147.11673	11.4
149.09576	14.4
149.13220	15.7
159.11668	31.3
161.05922	3.9
161.13196	9.3
163.11182	6.7
173.13232	8.2
175.14944	3.4
177.12715	21.3
179.14311	9.8
181.12234	4.7
183.11760	4.6
193.12212	5.2
195.13701	7.9
219.13788	3.6
229.14403	5.7
231.09946	3.4
255.15897	53.0
257.19037	11.2
259.09494	7.4
267.15955	5.3
269.17450	100.0
275.20062	33.2
311.12759	5.2
337.14139	11.8
349.23688	65.9
355.15421	25.1
367.24753	24.8
373.16522	5.4
511.28815	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	562.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.9
55.05504	16.1
57.03429	14.1
61.02905	1.8
65.03915	2.1
67.05499	23.7
69.03398	4.0
69.07050	5.3
71.01276	1.6
71.04984	3.7
71.30757	4.6
72.39574	1.6
79.05488	26.6
81.03415	87.5
81.07049	22.7
83.04967	11.1
83.08614	19.8
85.02909	11.5
86.42226	1.8
91.05479	29.1
93.07034	16.4
94.08423	1.7
95.04974	27.7
95.08611	11.5
97.02887	3.1
97.06513	5.9
97.10155	6.9
105.07033	20.1
107.04980	8.6
107.08588	7.0
107.24545	1.7
109.06511	5.7
109.10149	5.7
110.07178	2.3
110.10504	2.0
111.04462	4.3
111.08061	8.6
113.05975	1.6
117.07022	3.6
119.04967	2.1
119.08571	20.7
121.06474	3.5
121.10123	7.7
123.08086	3.0
125.09614	5.2
129.06995	10.7
131.08580	11.8
133.06488	2.9
133.10126	8.4
137.09625	3.8
143.68555	1.9
145.06499	1.9
145.10107	2.9
147.08080	4.5
147.11671	10.5
148.28410	1.8
149.09627	6.6
149.40759	1.8
155.08533	2.2
157.10149	9.3
158.13010	1.7
163.11136	2.5
165.12735	2.0
175.11221	13.9
193.12236	38.6
194.34273	1.9
211.13271	21.0
229.14291	1.7
245.86346	1.7
249.14806	2.2
267.15894	100.0
271.20837	2.1
273.14957	2.7
285.16888	22.5
349.21509	4.1
361.51282	2.1
367.22775	14.5
385.23724	16.2
403.25220	1.7
425.91055	2.0
433.25830	9.4
441.26248	3.4
459.27365	41.2
477.28445	37.6
522.92853	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	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.4
57.03428	11.9
58.68410	5.6
65.15135	5.6
67.05492	26.9
69.07066	14.4
71.08623	16.7
71.60241	11.7
79.05487	25.4
81.03407	15.6
81.07046	24.4
83.04974	9.1
91.05457	17.8
93.07030	15.2
95.04960	12.7
95.08590	11.4
97.02874	10.8
97.10193	9.2
97.22316	5.6
99.08083	7.9
105.07038	12.8
107.08574	16.0
109.06538	7.4
110.09548	6.8
117.07039	8.7
119.08586	16.0
120.25912	6.2
120.80155	6.2
131.08600	9.6
131.18454	6.8
133.10109	15.0
137.14694	6.3
147.11671	6.9
151.11311	5.6
193.12199	7.8
215.46268	6.7
249.10890	7.5
275.19986	10.3
285.16910	14.8
293.21103	100.0
367.24762	99.9
373.13699	6.2
565.29779	26.9
592.78729	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	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78485	5.6
55.01858	8.9
55.05508	25.9
57.03430	19.7
60.38939	4.8
67.05507	47.9
69.07071	26.4
69.33202	59.0
70.06588	6.4
71.51889	4.5
79.05494	32.2
81.03410	29.6
81.07052	39.9
83.04962	7.4
83.08602	15.0
85.02883	9.3
91.05481	28.0
93.07047	37.7
95.04955	19.9
95.08584	23.0
97.06493	8.8
97.10224	11.8
105.07032	27.4
107.08599	17.7
109.10137	14.9
111.08103	9.5
117.07001	9.2
119.08576	17.6
121.10123	14.7
123.08102	5.9
125.09618	12.2
127.07509	5.8
129.07005	8.1
131.08582	13.7
133.10095	13.6
135.11676	7.2
137.09628	6.5
140.87067	5.6
145.10089	10.6
147.11664	6.6
157.10132	10.4
159.11635	6.1
160.65144	5.7
163.11134	10.2
193.12233	9.8
198.78751	5.5
223.13322	13.2
227.12726	7.8
229.14333	7.7
264.79083	6.3
267.15826	14.4
273.18500	19.4
283.15314	8.6
285.16910	13.3
287.92706	5.8
291.19553	82.1
365.23239	100.0
509.27591	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	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64484	3.9
53.03940	6.8
55.01869	9.9
55.05513	25.2
57.03432	18.1
62.64025	3.1
67.05508	43.0
69.03423	9.0
69.07061	25.7
69.35886	31.3
71.01328	3.4
71.04981	3.5
75.73294	3.2
79.05487	33.0
81.03408	74.0
81.07055	32.1
83.04966	11.0
83.08607	24.4
85.02901	11.1
91.03949	3.4
91.05489	34.0
93.07043	22.5
95.04962	27.9
95.08599	18.1
95.55495	3.1
97.02884	14.4
97.06530	10.1
97.10176	17.0
98.20739	4.8
105.07023	27.4
107.04960	10.3
107.08578	17.0
109.10159	10.4
111.04462	3.6
111.08067	7.1
114.75211	3.4
117.07014	7.4
119.08575	20.2
121.06482	4.8
121.10143	7.8
125.09632	12.6
129.06987	11.0
131.08560	13.8
133.06464	7.8
133.10133	11.4
135.08055	5.1
135.11722	4.1
143.08513	5.9
145.06482	6.8
145.10092	5.2
147.08022	8.2
147.11681	15.8
149.09549	8.1
157.10121	12.7
159.11670	5.2
175.11172	14.5
185.59174	3.3
189.11151	6.7
193.12215	31.4
211.13330	18.2
223.13283	19.0
227.12778	6.4
249.15041	3.4
267.15884	63.2
273.14847	3.2
273.18411	10.2
285.16977	23.0
291.16489	5.8
291.19528	82.4
301.55682	4.0
314.76559	3.2
321.27228	3.4
332.52545	4.1
332.89584	3.8
365.23196	100.0
367.22672	5.3
385.23605	11.4
433.25888	6.1
459.27274	31.0
477.28458	30.0
527.27582	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	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01534	1.8
53.03942	4.5
55.01863	10.4
55.05510	19.0
56.40475	2.0
57.03437	12.6
57.07072	2.5
61.02907	4.6
65.03939	2.4
67.05163	3.8
67.05503	54.0
68.05828	2.4
69.03419	7.5
69.07064	15.0
70.05017	9.9
71.04998	4.9
72.69463	1.7
79.05485	36.7
81.03418	26.8
81.07052	59.0
83.04978	13.4
83.08611	11.9
85.02899	8.4
85.06571	4.3
91.05475	46.2
91.06006	3.5
92.05831	2.5
93.07036	31.0
95.04954	17.6
95.08605	20.0
97.02885	3.3
97.06525	8.6
97.10172	5.1
98.21399	3.2
99.04443	2.5
105.07024	39.5
107.04952	11.4
107.08596	35.6
109.06509	7.7
109.10152	48.3
111.08084	3.9
113.06049	3.2
115.05511	3.0
115.19134	2.2
117.07025	7.9
119.08541	13.4
121.06469	5.5
121.10155	9.1
122.29122	2.1
123.08057	4.9
123.11733	10.0
125.09650	4.4
127.07545	3.0
128.06241	2.9
129.07008	5.4
131.08546	14.1
131.09370	1.9
133.06523	3.5
133.10121	60.6
133.11073	3.9
135.08075	7.9
135.11653	5.5
143.08510	3.5
145.10156	6.5
147.08015	3.3
147.11717	6.0
149.09631	8.5
150.58096	1.8
151.11186	26.1
157.10141	4.6
159.08032	3.7
159.11656	3.8
161.09622	6.0
161.13338	2.4
163.11186	4.1
169.12190	3.6
171.86418	1.9
173.10081	2.0
173.11626	3.0
175.11188	6.6
177.09096	2.0
179.10651	2.9
181.12228	2.9
193.12224	6.6
211.13318	6.6
215.12733	4.6
229.14441	3.1
236.11005	1.9
245.18942	3.1
247.08571	2.7
253.14337	100.0
263.20132	4.5
267.15970	15.8
269.13956	4.7
271.15237	17.1
273.18439	16.6
283.15305	2.7
285.16992	8.0
291.19547	15.9
347.22070	8.3
365.23206	85.5
366.23734	2.5
383.24100	2.5
459.27386	9.0
477.28418	19.3
544.36890	4.2
562.37793	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	562.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29580	0.5
53.03942	0.6
55.01856	1.5
55.05508	1.6
56.05034	0.7
60.04517	0.8
61.02917	1.1
62.06086	2.3
67.05455	0.7
68.99782	0.6
69.03413	3.0
69.07057	0.7
70.02941	1.1
70.06583	2.3
71.04058	0.5
71.04990	0.7
71.08631	3.5
72.08158	0.7
73.02918	1.2
79.05480	1.6
81.03413	3.1
81.07049	3.3
82.06561	0.8
85.02902	3.7
86.06061	21.9
86.09670	0.9
87.00812	1.3
93.07051	2.3
95.08585	1.3
96.08116	1.3
97.02882	2.1
97.06523	1.2
98.09682	1.4
99.04427	0.9
99.08096	4.2
101.02382	3.9
105.01832	0.8
107.08575	0.6
108.08107	1.9
109.02888	3.2
109.06521	6.9
111.08061	7.3
114.09195	0.8
116.10721	10.6
121.08884	0.8
122.09623	1.0
123.08045	0.6
124.11224	1.0
127.03912	6.0
134.09662	2.5
135.08144	0.7
135.10365	0.6
137.05968	4.0
138.09145	1.0
138.94333	0.5
140.10687	1.0
142.08524	1.3
142.12254	1.5
143.10658	6.6
145.04939	1.5
152.10732	2.6
153.01765	1.6
154.08636	0.7
155.06963	0.8
168.10069	0.6
170.11748	6.4
180.10149	3.0
198.11240	100.0
199.11555	1.5
214.18039	0.8
216.12292	86.7
231.04883	1.3
252.93651	0.6
278.65488	0.6
287.05539	1.1
296.18512	4.6
314.19574	15.4
356.08289	1.1
400.11014	1.6
402.17499	1.4
444.85400	0.8
446.16547	5.0
464.17502	4.9
562.24457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
53.03944	1.1
55.01862	0.9
55.05500	0.4
56.05029	0.3
56.96582	0.4
57.03426	0.8
60.04514	0.5
61.02927	1.1
63.02373	0.5
66.82832	0.2
67.05509	0.9
68.99800	0.5
69.03426	4.2
69.07066	0.5
70.06584	3.4
70.43081	0.5
70.43472	0.7
71.04981	0.4
72.08156	1.2
73.02921	0.6
74.06073	0.6
78.04697	0.4
79.05503	0.6
80.31757	0.2
81.03405	4.0
81.07058	0.6
84.04502	0.4
84.08138	1.3
85.02901	5.5
85.06573	0.3
86.06092	0.3
86.09690	2.1
87.00824	2.1
87.04457	0.3
89.03909	5.7
91.03939	0.4
91.05478	2.6
91.87135	0.2
93.07034	2.7
95.04960	1.0
95.08590	0.6
96.08167	0.2
97.02888	2.4
97.06493	0.7
99.04451	1.1
99.08099	0.3
103.03925	0.3
103.05447	1.5
105.01882	0.8
105.07031	0.6
107.08540	0.4
109.02872	2.1
110.07146	0.6
111.00987	0.3
117.03369	16.8
119.04905	0.3
120.08070	1.3
121.06493	21.5
127.03903	2.9
129.10233	0.6
131.08636	0.3
134.03621	1.3
135.04420	1.6
136.07553	1.0
138.09131	2.0
140.10677	0.3
145.02834	47.5
146.06023	0.4
147.04398	0.3
147.06326	0.3
148.07547	1.3
149.05974	5.3
149.07889	0.7
153.01851	0.9
154.08635	0.7
159.02881	0.6
159.09171	0.3
162.03142	0.3
163.03876	0.7
164.07025	0.3
166.08728	0.3
177.05453	100.0
178.05817	0.7
186.05501	1.1
187.05989	0.4
201.05490	0.3
215.45351	0.3
252.08809	0.5
253.09180	0.2
300.14243	0.4
310.07697	0.3
314.13837	27.0
315.14169	0.5
355.08139	1.3
356.08362	2.3
386.14417	16.4
387.14758	0.3
389.09402	0.3
399.10690	0.8
399.18643	0.3
400.11069	2.5
440.15173	0.4
562.19415	1.2
562.33160	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	562.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01881	0.6
55.05511	0.4
57.03432	0.7
61.02922	0.8
63.02382	0.8
68.99758	0.5
69.03425	3.6
69.30546	4.0
70.06583	3.7
71.04996	0.5
72.08131	1.9
73.02924	0.9
77.03901	0.3
79.05493	0.5
81.03407	4.0
81.07079	0.4
83.04978	0.5
83.42625	0.3
84.08132	1.3
85.02900	5.5
86.09693	1.6
87.00824	1.7
88.04046	0.5
89.03915	5.2
91.05480	2.8
93.07049	2.6
94.62751	0.3
95.04961	1.4
97.02880	2.6
97.06526	0.4
98.09636	0.4
98.21515	0.8
99.04457	1.2
102.84949	0.3
103.05441	2.6
105.01841	0.7
105.07021	0.7
109.02856	2.9
110.07159	0.4
116.07066	0.6
117.03374	16.9
119.04903	0.4
120.08080	1.1
121.02927	0.4
121.06496	25.8
127.03886	3.5
129.01840	0.5
129.10205	0.7
132.33812	0.4
134.03604	1.2
135.04414	1.7
136.07510	0.7
137.05980	0.6
138.09119	3.5
145.02834	49.1
146.05843	0.4
149.05975	5.6
154.08611	1.0
159.02879	1.3
163.03845	0.7
177.05453	100.0
178.05777	1.0
186.05469	1.0
221.12833	1.1
249.12326	0.6
314.13828	35.0
315.14261	0.6
342.15100	0.5
348.19095	0.8
355.08060	0.8
356.08392	1.3
386.14410	17.4
399.10333	0.5
400.10977	1.6
544.34528	0.5
562.18787	0.7
562.33405	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	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33112	3.4
53.03938	10.1
55.01856	3.9
55.05505	35.1
55.14621	3.8
57.03434	11.1
57.07065	5.0
58.06799	5.2
67.05164	7.3
67.05502	100.0
69.07069	19.4
70.12070	7.9
70.12475	14.5
71.05017	4.4
74.65164	3.8
75.65687	4.1
79.05046	8.1
79.05487	88.9
81.03421	9.2
81.07047	75.5
83.04972	15.2
83.08606	14.1
85.06549	6.2
91.05476	70.0
93.07033	84.4
95.04967	32.3
95.08601	60.3
97.10135	5.1
98.20621	4.7
105.07032	40.2
107.04979	6.6
107.08585	31.9
109.06505	9.4
109.10141	20.6
110.99003	4.4
117.07009	14.5
119.08576	31.0
119.21481	3.8
121.06509	6.0
121.10143	27.5
123.08051	9.2
123.11695	3.9
125.09690	5.5
126.78119	3.7
129.06990	16.7
131.08548	19.0
133.10139	24.1
135.11713	16.8
143.08496	12.5
145.10139	16.0
147.11685	32.5
149.09613	5.3
149.13193	9.8
151.41457	4.5
159.11752	11.7
161.09682	5.4
161.13249	14.8
169.10118	3.9
171.11702	27.6
173.13217	9.6
179.14255	3.6
183.11693	4.5
185.13193	7.2
189.12755	6.6
190.43456	3.7
192.82295	4.0
207.13838	21.3
218.63246	4.2
227.12750	4.5
261.22226	12.1
281.17542	18.4
291.19550	8.3
335.25742	42.2
341.19553	5.1
541.39185	63.0
559.37097	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	562.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01858	0.7
56.05012	0.7
57.03424	1.0
60.96803	0.4
61.02907	1.0
63.02366	0.5
68.99799	0.5
69.03421	3.9
69.59930	3.1
69.60342	1.0
70.06590	4.9
71.04974	1.0
72.08150	2.6
73.02908	0.9
79.05467	0.5
81.03408	4.5
81.07032	0.5
83.06101	0.6
84.04472	1.5
84.08129	2.0
85.02902	7.3
86.09215	0.4
86.09704	3.3
87.00800	2.1
89.03904	4.7
91.03977	0.5
91.05486	3.8
93.07040	5.5
95.04953	1.5
97.02865	3.2
97.06537	0.5
98.21517	0.9
99.04418	1.0
102.05519	0.9
103.05479	4.0
105.01853	1.4
109.02882	2.9
110.07169	1.0
117.03363	14.9
119.04897	0.9
120.08093	1.4
121.06493	32.8
127.03899	5.6
129.10281	0.7
134.03645	1.0
135.04382	1.2
136.07571	0.5
138.09119	1.1
145.02832	48.4
145.04924	1.7
149.04884	0.7
149.05965	5.0
154.08626	0.7
159.02867	1.5
162.03101	1.8
163.03891	1.1
164.07045	0.5
177.05455	100.0
186.05327	0.6
220.09644	0.5
231.04939	1.0
247.96425	0.4
285.55002	0.5
300.08105	0.5
314.13831	63.0
315.13907	0.7
349.56870	0.5
355.07751	0.6
356.08389	1.1
361.02335	0.6
386.14456	5.0
400.10828	1.1
500.25412	0.7
562.25226	5.0
562.32843	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	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.8
55.01871	15.2
55.05511	64.0
57.03429	16.6
57.07053	3.7
59.04984	3.8
59.26505	3.3
65.03941	4.9
67.05164	5.4
67.05502	80.9
69.03410	8.6
69.07063	39.3
69.27892	8.7
69.28309	29.0
71.04989	8.3
71.08605	4.8
79.05057	6.3
79.05492	81.6
81.02963	5.3
81.03410	52.8
81.07055	100.0
83.04979	15.4
83.08606	39.5
85.02901	5.5
85.06548	7.6
91.03970	3.1
91.05474	73.9
93.07032	59.7
95.04954	46.6
95.08600	39.8
95.22715	2.8
97.02888	5.6
97.06534	16.2
97.10173	38.0
97.28577	3.1
99.08096	5.9
103.55234	2.9
105.07021	70.4
107.04943	19.3
107.08591	51.5
109.06502	12.2
109.10142	27.2
111.04447	4.3
111.08062	8.8
115.05484	5.5
117.07001	34.7
119.04082	3.0
119.04959	3.3
119.08585	40.0
121.06482	12.3
121.10144	22.6
123.08089	8.7
123.11702	16.7
125.09629	27.7
128.06198	7.7
129.06999	21.4
130.07799	4.7
131.04929	4.6
131.08559	40.3
133.06477	8.0
133.10112	32.8
135.08051	10.4
135.11597	15.0
137.05989	6.9
137.09651	4.2
141.06952	8.6
143.08560	22.0
145.06471	10.5
145.10130	34.0
147.08025	7.5
147.11687	30.4
149.09607	23.9
149.13213	3.5
151.11166	5.5
153.09132	4.6
155.08528	13.6
157.10097	19.7
159.08061	8.1
159.11624	16.1
161.09688	5.9
161.13245	5.8
163.06680	3.5
163.11174	13.8
165.12744	3.0
167.08598	5.0
169.10085	11.1
169.42172	3.8
171.11673	15.8
173.09659	9.6
173.13283	10.3
175.11191	11.9
177.12665	3.9
181.10135	6.2
181.12230	4.9
183.11642	11.0
185.09615	4.6
185.13240	12.9
187.11198	8.5
187.14713	4.5
189.11194	23.0
189.12706	5.8
193.12248	22.4
196.77162	3.6
197.13193	8.1
199.11172	5.6
199.14668	5.4
201.12671	5.5
203.14255	5.0
209.13245	6.7
211.13116	5.4
211.14935	6.2
221.13347	3.4
227.12738	27.7
231.14027	3.7
239.14278	3.7
239.18031	3.5
248.76306	3.4
249.14763	4.7
257.19037	12.1
259.20721	3.4
267.15759	24.4
269.18893	4.0
275.20053	56.9
287.20416	3.5
291.19617	3.9
293.21036	6.0
297.22260	3.8
299.19983	22.3
313.21710	6.8
315.23148	10.5
317.20947	11.5
329.13199	3.6
331.22842	4.6
349.23828	15.2
355.23172	3.7
373.23743	10.4
431.29410	9.1
447.27560	3.9
449.30405	16.2
451.78937	4.5
467.31610	23.8
485.32602	13.4
523.33923	7.9
541.35150	79.3
559.36298	90.3
559.79822	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	557.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85937	1.3
53.03931	6.5
55.01859	6.7
55.05505	27.9
57.03431	9.0
57.07072	3.3
65.03925	2.7
67.05498	48.7
69.03421	2.0
69.07058	23.3
69.37833	3.5
69.38241	13.7
71.04974	6.2
71.08604	1.8
76.53491	1.4
77.03938	1.7
77.58620	1.3
79.05489	49.0
81.03406	4.9
81.06572	2.8
81.07050	56.7
83.04960	6.2
83.08612	14.4
83.13582	1.3
85.06509	3.8
86.09702	1.8
91.05473	45.7
93.06466	3.1
93.07035	48.4
95.04977	13.5
95.08595	39.0
97.06523	5.3
97.09605	2.0
97.10147	10.1
103.05479	2.8
105.04507	2.0
105.07021	47.4
107.04935	6.2
107.08585	29.1
109.06494	5.7
109.10143	13.9
111.08118	2.3
115.05463	3.7
117.06995	20.4
119.08572	35.9
121.06493	3.6
121.10123	15.6
122.10385	1.5
123.08035	5.7
123.11678	3.8
125.09611	6.4
128.06212	5.0
129.07007	25.0
131.08557	40.7
133.10115	21.1
135.08005	4.5
135.11679	10.5
137.09560	1.6
137.13309	1.8
137.26646	1.6
141.06935	9.6
142.07745	6.2
143.08553	30.0
145.06424	2.5
145.10109	32.2
147.08028	4.7
147.11685	19.1
149.09637	2.7
149.13237	4.7
151.11160	2.2
153.06996	1.8
154.07738	2.2
155.08530	22.7
156.09282	4.1
157.10126	23.2
159.08018	5.1
159.11694	19.4
161.09607	3.5
161.13257	12.0
163.11143	4.6
165.06995	3.6
167.08569	10.6
168.09270	2.8
169.10110	26.3
171.08037	2.3
171.11676	26.1
173.09673	2.1
173.13263	16.4
175.11156	2.7
175.14796	5.1
177.12750	3.2
179.08524	3.9
181.10106	17.0
182.10838	2.8
183.11670	20.4
185.13239	17.1
187.11182	4.4
187.14792	6.2
189.12784	3.9
192.09213	1.9
193.10083	5.5
195.11685	14.4
197.09518	2.2
197.13264	18.3
199.11105	1.8
199.14827	8.8
200.63512	1.5
201.12843	1.6
201.16428	3.5
205.10197	1.9
207.11908	3.6
207.13744	3.7
209.13232	11.6
211.14868	10.8
213.12781	1.6
213.16414	7.8
219.11708	1.8
219.17418	4.3
221.13310	5.2
223.14854	7.2
225.12804	1.8
225.16377	6.1
227.12706	5.4
229.15964	2.6
233.13246	2.1
234.13989	1.6
235.14816	5.1
235.17046	1.7
237.16371	4.9
239.17876	2.3
241.19489	6.7
247.16945	2.8
251.17943	3.2
257.18997	3.5
259.20575	12.7
263.17908	2.5
269.18826	1.8
273.18396	1.7
275.20114	5.6
279.15659	4.2
279.20856	1.9
281.17227	7.9
283.20700	2.4
293.18698	2.0
294.04581	1.8
295.20740	2.1
297.22086	2.0
299.19986	1.8
299.23538	2.1
307.19986	1.6
313.21460	3.5
323.23569	4.2
325.25302	2.2
333.24194	4.8
335.23700	2.3
341.24557	2.1
353.24731	3.2
367.26151	2.1
405.27789	1.7
419.32919	4.6
429.31512	4.0
437.34201	15.1
447.32648	26.0
465.33755	30.6
483.34906	22.6
490.53049	1.6
501.35672	2.2
503.35266	1.9
511.37668	2.2
521.36383	11.3
527.37543	2.9
529.38879	7.6
539.37415	100.0
540.37579	2.7
557.38702	53.5
561.31934	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	557.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01857	3.3
55.05257	1.6
55.05507	20.4
57.03428	5.9
57.07059	4.8
65.03931	3.8
67.05500	38.6
68.24276	1.1
69.07060	17.7
70.14486	6.2
71.04987	3.5
79.05489	34.4
80.64891	1.3
81.03429	3.9
81.07050	39.6
83.04964	3.7
83.08624	8.6
85.06522	1.8
91.05475	36.2
93.07039	31.4
95.04974	8.5
95.08600	28.3
97.06538	4.2
97.10191	4.6
98.98459	1.4
99.08081	1.4
105.07021	38.6
107.04964	4.2
107.08578	17.4
109.06506	3.7
109.10155	8.4
111.08079	3.3
117.07011	16.7
119.08569	26.8
121.06542	2.4
121.10135	11.4
123.08063	3.3
123.11774	1.6
125.09615	2.6
128.06229	4.2
129.06987	18.0
129.07880	1.3
130.07799	1.7
131.08551	28.9
131.09496	1.8
133.10135	17.4
135.08078	2.1
135.11697	8.0
139.11150	1.3
141.06975	8.2
142.07808	4.2
143.08556	22.4
144.09366	1.6
145.06540	3.2
145.10107	24.3
147.08041	2.7
147.11676	15.4
149.09595	3.2
149.13286	3.8
153.07002	2.1
154.07848	2.0
155.01123	1.3
155.08548	20.5
156.09280	2.0
157.01573	1.4
157.10130	17.8
159.08067	2.1
159.11671	17.3
159.84636	1.4
161.09619	2.0
161.13255	7.5
163.11246	2.3
163.14828	2.0
166.07761	1.5
167.08513	8.9
169.10110	20.1
170.10815	1.9
171.08171	1.7
171.11678	21.8
173.09654	2.6
173.13248	11.6
175.11162	2.6
175.14830	3.2
177.12711	1.4
179.08534	3.6
180.09351	2.0
181.10117	12.8
182.10861	2.2
183.11649	18.9
185.09566	1.7
185.13220	13.2
187.11192	2.9
187.14838	4.7
189.12770	2.9
191.14532	1.6
193.10208	2.4
195.11703	13.6
197.13275	13.2
197.14824	1.7
199.14824	9.7
207.11768	4.8
207.13742	2.6
209.13297	9.2
211.14810	7.5
213.12804	1.4
213.16338	8.0
219.11818	2.0
219.17622	2.1
221.13385	3.6
223.14847	5.4
225.16449	3.8
227.12596	1.7
227.18114	1.9
229.19539	1.5
233.13509	1.4
235.14867	4.0
237.16418	3.6
239.18030	1.4
241.19553	6.5
247.16988	2.2
249.16464	2.5
251.17862	1.8
255.17656	1.7
257.19159	2.5
259.20499	10.8
265.19601	1.8
275.20227	1.5
279.16013	2.2
281.17371	9.5
287.20020	1.9
295.20770	2.4
297.22263	4.5
311.20300	1.6
313.27448	1.6
321.22058	1.9
323.23785	2.5
325.21713	1.5
333.24298	3.8
335.24020	1.9
337.25412	2.9
339.23129	2.6
349.25482	1.7
353.24707	3.1
355.26230	1.5
367.26367	2.0
373.25507	1.3
419.33264	2.9
429.31464	5.8
437.34225	13.0
447.32593	29.0
465.33658	28.4
483.34695	17.4
501.35657	3.1
521.36426	9.2
527.37531	3.1
529.38806	7.5
539.37317	100.0
557.29718	3.0
557.38434	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47519	3.0
53.03954	5.9
54.06501	3.0
55.01868	5.5
55.05512	25.4
57.03428	11.0
57.07070	19.0
57.81921	3.2
65.92993	2.9
66.93108	3.0
67.05504	54.1
69.07063	21.4
71.04993	5.3
71.08623	13.9
71.13320	7.8
79.05491	42.4
81.03426	12.7
81.07055	56.0
83.04966	4.8
83.08620	14.9
85.10146	3.7
89.57257	2.9
91.05477	41.0
93.07034	43.6
95.04977	8.4
95.08604	48.0
97.06528	5.0
97.10168	6.3
98.98447	34.8
99.08099	4.3
100.98912	4.7
105.07031	40.8
107.04919	5.1
107.08591	20.1
109.02902	4.9
109.06528	5.7
109.10156	16.3
111.08035	4.9
117.07029	20.0
119.08582	26.0
121.06525	4.6
121.10145	16.6
123.11734	7.1
125.09621	3.6
128.06198	4.9
129.07027	24.2
131.08578	33.9
133.06523	4.1
133.10130	21.1
135.08101	4.7
135.11693	12.1
135.21964	3.0
141.06984	9.0
141.71266	3.3
142.07794	4.1
143.08588	25.3
145.06415	4.2
145.10123	29.5
147.08006	4.4
147.11668	16.6
149.13332	6.1
155.01053	32.8
155.08545	19.1
156.01395	6.7
157.01474	7.2
157.10092	22.9
159.11713	20.8
159.12804	3.6
161.13271	10.4
163.11234	3.9
167.08546	8.0
169.10101	28.1
171.11667	29.1
173.09805	3.5
173.13249	13.0
175.14998	3.7
181.10110	14.5
183.11710	16.1
185.13257	14.3
187.14816	5.6
193.10178	7.0
195.11702	19.1
197.13229	15.8
199.14862	9.9
207.13800	4.4
208.62692	3.7
209.13263	8.3
211.14844	9.0
213.16367	11.5
221.13371	5.3
223.14833	9.0
225.16299	5.0
235.14748	3.9
239.23627	5.3
241.19489	4.8
259.20599	12.4
279.15869	4.6
281.17471	7.5
297.22073	4.0
313.27438	22.1
314.27679	10.2
315.28024	17.2
333.24301	6.8
429.31351	7.3
437.34189	9.4
447.32684	23.2
465.33844	25.6
483.34784	20.3
501.35934	4.3
521.36328	7.3
529.38721	6.4
539.37360	100.0
557.38690	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07121	2.3
53.03940	3.8
55.01862	5.3
55.05506	20.9
56.05029	3.8
56.96575	3.0
57.03440	4.4
57.07063	6.9
59.05006	3.3
60.04534	3.3
61.02919	5.4
61.30928	2.1
67.05500	31.2
69.03432	15.9
69.07054	25.8
70.06589	98.7
71.04982	11.7
71.59840	3.4
72.08157	25.0
72.23434	2.8
74.06063	8.9
79.05483	21.9
81.03403	6.2
81.07050	100.0
83.04974	7.9
83.08619	8.3
84.04479	8.9
84.08134	32.4
85.02895	17.1
85.06535	42.9
86.09698	57.0
87.05611	4.3
88.03973	3.7
91.03970	2.7
91.05456	18.1
93.07036	52.0
95.04961	18.2
95.08599	58.4
97.02874	9.5
97.06514	19.2
97.10159	6.1
98.97574	4.0
99.04455	5.0
99.08083	10.4
101.06018	4.2
102.05535	3.8
105.07021	30.8
107.08588	48.3
109.02839	4.8
109.06517	8.9
109.10150	35.6
110.07134	7.2
111.04427	3.1
111.08073	21.8
113.05975	2.3
115.07565	3.8
115.08718	4.1
116.07104	8.6
117.05479	6.6
119.08582	18.6
120.08085	12.9
121.06557	3.4
121.10132	42.5
123.08057	10.1
123.11706	44.4
125.09622	22.7
125.32268	3.0
127.03882	8.0
129.09216	5.6
129.10240	13.5
131.08534	7.2
133.10097	22.3
134.08195	3.8
135.08072	2.9
135.11690	14.7
136.07610	8.6
137.05920	2.9
137.09599	5.2
137.13239	7.0
138.09148	3.2
139.11159	19.4
141.09105	2.7
141.10187	7.7
143.11809	3.8
145.04956	3.4
145.10118	12.0
147.07796	3.1
147.11671	13.4
149.09641	5.2
149.13255	13.0
151.11162	16.2
153.12775	7.2
155.11787	8.1
157.10077	3.2
159.11702	11.2
161.13260	9.9
163.11162	2.7
163.14841	6.4
165.12749	9.6
166.08511	2.6
167.10660	6.1
169.09999	3.3
169.12256	27.1
171.11607	3.8
171.13750	3.1
173.13272	6.9
175.14809	3.6
179.14191	2.8
181.12262	8.0
183.11391	4.7
187.14755	4.8
189.16411	5.8
191.14359	2.7
199.14783	5.3
200.13928	20.5
201.16362	5.3
205.15710	2.8
213.16322	6.1
215.17870	6.1
219.17436	6.0
228.13417	13.4
231.13394	34.9
232.07637	2.7
233.19107	3.6
237.18440	15.9
239.20027	4.1
240.86568	2.4
249.18466	4.3
251.20033	11.9
253.07976	4.2
255.19598	11.0
257.22946	3.4
267.19669	6.8
269.22693	5.7
275.23752	4.8
285.20609	8.3
287.05478	4.6
287.23672	11.1
291.12875	2.7
293.24716	7.8
305.24716	40.8
311.25671	3.5
323.25812	37.2
327.20172	8.1
329.26797	2.9
341.22922	3.9
341.26956	3.8
359.27826	9.8
377.29031	15.3
471.21725	3.0
513.22687	5.7
525.13812	8.3
557.21619	15.9
557.29523	8.1
558.21808	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	557.3464
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
51.89213	1.0
53.03934	4.9
55.01866	8.9
55.05505	35.0
57.03423	5.3
57.07069	2.5
59.04980	1.3
65.03927	2.9
67.05500	43.3
68.50753	1.2
69.03426	6.3
69.07063	20.7
69.72552	8.6
71.04973	4.1
71.08611	3.0
71.79246	1.2
79.05487	43.0
81.03410	38.4
81.07052	37.1
83.04985	8.4
83.08610	17.4
85.02881	1.7
85.06525	2.8
91.05469	34.7
93.07034	31.3
95.04958	22.8
95.08596	22.7
97.02890	5.6
97.06522	5.3
97.10164	18.6
99.04414	1.5
99.08112	1.8
105.07023	31.5
107.04950	15.4
107.08580	20.1
109.06516	8.5
109.10144	14.2
111.04462	1.5
111.08076	5.1
113.05997	1.4
115.05429	2.4
116.06216	1.8
117.07005	18.0
119.08565	21.2
121.06499	9.1
121.10121	10.0
123.04319	1.2
123.08057	5.3
123.11662	2.4
125.09604	12.7
128.06247	2.3
129.06981	11.9
130.07753	1.4
131.04881	1.7
131.08551	20.5
133.06479	5.3
133.10126	15.6
135.08028	6.2
135.11694	8.5
137.09634	4.0
139.07518	1.6
141.07010	3.3
142.07739	2.9
143.08562	9.2
145.06490	5.6
145.10109	15.0
146.78178	1.2
147.08029	7.1
147.11664	8.0
149.09616	4.6
149.13229	1.7
151.07478	2.1
151.11232	1.8
153.09131	2.2
155.08533	4.0
157.06404	2.1
157.10101	10.2
159.08078	4.3
159.11685	9.1
161.09607	4.8
161.13277	1.8
163.11198	7.2
167.08566	3.3
169.10097	6.5
171.07954	2.2
171.11707	4.8
173.09615	4.2
173.13203	2.9
173.93820	1.3
175.11136	8.8
177.12776	6.3
179.08533	1.6
181.10097	3.0
183.07973	1.7
183.11664	7.0
185.09596	1.8
185.13225	3.5
187.11179	3.3
187.14952	1.4
189.09285	2.3
189.11247	6.9
189.12781	1.5
191.14404	1.4
193.12198	10.2
195.11690	3.8
197.09644	1.7
197.13231	3.2
199.11157	2.7
199.14871	1.9
201.12785	1.8
205.12245	3.3
209.11633	1.3
209.13484	1.5
211.11183	1.9
213.12788	2.4
219.13759	9.8
219.17404	2.1
223.13188	9.0
227.12727	11.8
233.15421	1.5
249.14940	2.8
253.14325	2.2
257.18964	3.6
259.20657	1.4
267.15930	1.8
273.18533	8.5
275.20084	11.8
283.15561	1.8
285.22086	2.9
285.37344	1.2
287.20105	3.0
289.18130	1.4
291.19519	43.1
295.20630	1.5
307.79129	1.3
313.21552	11.1
315.19470	1.7
331.22836	1.5
347.22272	1.9
371.22430	1.6
401.28558	1.3
419.29413	1.5
429.27762	1.8
437.30783	2.3
445.25876	3.2
447.28754	8.1
465.29990	14.1
483.31281	9.4
489.34906	1.3
511.34119	3.1
521.32587	2.0
529.35010	8.3
539.33618	31.3
557.34692	100.0
558.35004	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	556.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	11.5
57.03424	8.8
57.07073	31.3
63.70739	5.0
67.05485	14.5
69.07061	12.0
69.44031	3.5
71.08624	24.0
71.10172	9.0
79.05494	19.2
80.00072	3.5
81.07048	19.8
81.84860	4.3
83.08623	13.0
85.10160	9.0
89.06021	7.0
91.05415	4.4
93.07050	27.1
95.04958	5.5
95.08595	33.5
99.04479	6.7
107.04941	6.1
107.08582	21.2
109.06497	3.9
109.10143	4.7
119.08571	9.9
121.06514	5.7
121.10118	8.7
133.08577	9.2
135.11667	36.6
145.10107	20.3
163.11154	43.2
181.12221	9.6
227.12766	82.9
283.15411	65.8
313.27316	100.0
371.22723	6.0
443.75638	4.3
521.38300	75.0
544.85834	4.2
551.89099	5.9
556.52924	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	557.095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32185	0.8
55.01861	1.1
55.05500	2.4
55.93518	2.0
56.05011	2.7
56.94294	1.4
56.96556	1.2
57.03433	1.3
58.06579	1.1
60.04509	1.0
67.05492	2.5
69.03422	3.9
69.07051	3.5
69.66407	6.0
70.06585	25.6
70.95860	1.7
71.04994	1.7
72.08151	9.2
72.93773	6.6
73.02896	1.1
74.06066	2.5
76.60785	0.9
79.05489	2.6
81.03416	1.6
81.07048	8.7
82.06588	0.8
82.92284	0.8
83.04971	2.2
83.06077	1.1
84.04486	3.3
84.08138	13.6
85.02882	2.8
85.06543	7.2
86.09698	10.3
87.05548	1.5
87.09238	0.9
88.03999	1.4
88.96935	0.9
90.94812	8.4
91.05486	5.1
93.07038	5.9
95.04949	2.3
95.08607	3.8
97.02874	2.3
97.06535	1.5
98.21461	1.7
99.08070	2.4
102.05523	1.5
102.94744	0.8
103.05443	1.0
104.96388	1.6
105.07019	3.2
107.08588	3.6
108.95846	3.4
109.06506	1.6
109.10128	2.9
110.07149	3.8
111.08092	1.3
112.08727	0.9
114.94805	2.3
115.08687	1.3
116.96354	2.4
119.04905	2.9
119.08545	3.2
120.05233	0.8
120.08080	3.2
120.95844	1.1
121.10148	3.4
123.04395	1.0
123.11674	2.0
125.09612	3.6
128.07019	0.8
128.96332	1.7
129.09262	1.7
129.10217	9.2
131.04941	2.0
131.08554	1.2
131.96149	1.0
132.05305	1.0
132.95828	63.3
133.10117	2.4
134.97388	4.9
135.11684	1.2
136.07561	9.5
137.05969	3.1
139.11125	1.7
140.96170	1.0
143.08459	0.9
143.11792	0.9
144.95818	11.2
145.02829	1.1
146.97397	2.9
147.04344	4.3
147.11711	1.7
149.09578	1.4
150.96875	46.2
155.97409	3.3
156.95773	1.2
157.10039	0.9
158.97388	2.0
159.11690	0.9
160.31009	0.8
161.05971	1.3
162.96886	17.6
165.12721	0.9
173.98534	1.4
174.96880	100.0
175.11099	4.4
176.98343	1.2
177.05472	2.1
181.06116	0.9
183.01025	1.2
183.13823	1.3
186.12372	1.4
186.96880	4.6
188.98454	1.9
192.97926	15.1
192.99567	1.7
195.01132	1.1
197.98503	1.0
198.96872	3.5
199.00510	1.6
200.94798	14.7
201.02042	1.2
201.14729	2.0
204.97911	3.0
207.11314	1.8
210.11317	1.1
211.00511	3.3
215.99516	2.9
216.97893	6.8
217.11848	1.2
218.95827	14.3
223.16975	4.4
229.01556	5.4
230.95744	4.8
234.98930	5.3
241.17850	1.4
241.97411	2.1
242.95866	7.9
247.04147	1.5
248.96925	1.6
252.99983	1.7
260.96921	37.7
263.03555	1.6
265.05148	8.6
278.97958	10.2
283.06226	8.2
288.06815	1.4
289.05267	3.2
301.99374	2.5
302.97775	1.1
305.24698	1.6
307.06210	7.8
309.04233	1.1
319.06314	1.6
320.98993	6.5
323.25748	3.5
326.87451	0.9
341.26868	1.3
351.05209	35.0
359.27866	2.2
363.05252	5.4
369.06094	2.0
371.69543	1.0
377.03122	3.3
381.06610	1.2
383.07468	1.2
392.07794	1.8
393.06256	2.4
395.04187	1.7
402.54419	1.4
411.07654	1.2
423.07333	1.3
437.05405	5.4
475.57236	1.4
557.20148	2.8
557.32843	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	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03764	1.2
55.01868	4.3
55.05503	3.1
55.17511	1.2
55.25480	1.2
56.05018	1.9
56.96562	1.7
57.03425	2.7
58.87047	1.1
61.02916	4.8
62.87134	1.1
65.03928	2.3
67.05502	2.6
69.03424	5.8
69.07046	1.6
70.06588	55.1
71.04983	4.7
71.59367	2.0
72.08154	15.6
73.02917	3.5
74.06087	1.7
79.05489	5.4
81.03419	3.8
81.07055	2.6
84.08115	6.6
84.98775	1.6
85.02904	17.9
86.09718	8.3
87.05593	2.8
91.03947	3.6
91.05474	39.7
93.07073	2.9
95.04948	6.6
96.08141	1.4
97.02876	7.7
97.06508	1.4
103.05460	44.6
105.03391	6.5
105.07032	24.4
107.04948	4.2
109.02863	2.7
109.06543	8.3
110.07169	2.8
111.04426	2.1
112.07594	3.5
115.05452	4.2
116.98577	1.4
117.06987	2.0
119.04939	54.9
119.08553	2.6
121.02857	1.4
121.06497	6.1
122.03633	3.5
123.08067	4.8
127.03938	3.3
129.05469	1.4
129.06999	3.9
129.10245	3.4
131.04918	100.0
132.95825	6.3
133.02850	8.4
133.06493	23.4
135.04402	1.9
135.08058	2.7
136.07536	2.8
137.02422	2.1
137.05969	73.8
144.95773	2.0
145.04982	1.5
145.06468	3.3
147.04402	21.2
147.08014	1.9
149.05968	4.7
150.06714	1.3
150.96875	4.8
151.07538	21.2
157.06488	1.6
159.08063	4.5
161.05971	65.4
162.06721	6.2
163.07536	37.1
165.05511	4.3
172.05304	1.6
173.06012	2.2
174.96898	11.7
175.07539	19.5
177.05510	2.7
179.07019	21.7
180.98022	1.4
184.07468	1.6
187.07510	15.2
189.09067	2.5
191.08640	2.6
193.08650	3.1
203.08516	1.4
205.08577	7.4
214.11891	4.5
216.98064	2.0
217.08527	2.1
218.95883	1.9
219.07964	3.4
230.11330	14.9
231.08063	3.0
234.98941	1.9
235.09634	1.9
246.18652	1.7
247.07578	2.4
251.10657	4.6
260.97021	5.6
263.10901	1.3
274.12885	3.2
279.10141	3.4
291.10120	4.4
296.10150	1.6
309.11139	6.7
311.12753	12.6
323.12790	4.1
329.13910	2.6
330.02066	1.9
339.02402	6.4
339.53070	1.9
341.13824	8.8
351.05273	4.2
377.02133	1.7
402.04126	4.9
402.54034	1.8
439.06375	1.5
475.07077	13.0
475.57321	4.1
512.24512	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	556.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95758	2.0
53.36710	1.8
53.48890	1.8
53.77973	1.6
55.05503	4.0
56.05024	4.0
56.94332	1.6
56.96561	3.0
60.04533	2.2
61.02922	3.5
66.07639	1.6
67.05492	9.5
69.03427	7.0
69.07079	3.5
69.78893	4.6
69.79309	5.8
70.06588	100.0
71.04992	3.4
72.08140	7.9
72.93788	3.1
74.06081	3.6
78.27102	1.6
78.44331	1.9
79.05479	6.6
81.03417	6.5
81.07067	3.9
81.52578	1.8
82.06580	1.7
83.04978	2.2
84.04500	3.6
84.08145	15.2
85.02900	14.7
86.06049	2.0
86.09707	12.9
90.94835	5.0
91.05486	18.9
93.07032	5.3
94.61436	1.8
95.04968	10.2
95.08566	4.5
97.02904	8.1
99.04466	3.4
103.05454	15.3
105.03378	4.3
105.07044	14.5
107.04959	5.9
107.08560	2.5
109.02901	2.9
109.06525	6.2
109.10136	4.2
110.07177	4.2
110.20913	2.0
112.07603	7.4
115.05447	2.0
116.98549	2.2
117.07049	2.2
119.04947	24.6
119.08575	7.1
120.08102	8.8
121.06522	2.9
121.10148	3.0
122.03638	2.1
123.08078	17.3
124.07590	1.8
127.03923	8.0
128.07072	4.3
129.10242	7.1
131.04921	21.1
132.95848	12.5
133.06482	7.1
133.10110	2.3
135.08029	2.9
136.07603	3.8
137.05969	49.1
144.95840	3.9
145.04964	2.2
147.04405	13.0
147.07999	2.7
149.06099	2.0
149.09630	3.9
150.96852	5.4
151.07553	11.8
152.07100	4.2
155.04745	2.2
157.06474	2.1
158.97406	7.4
161.05978	12.6
162.06631	2.0
162.96918	4.8
163.07545	20.6
165.05559	3.1
170.08087	2.7
174.96886	17.5
175.07515	12.6
175.11143	3.7
176.98451	5.7
177.05498	2.3
177.09027	2.3
179.07048	11.2
186.96892	4.0
187.07547	6.1
193.08641	4.4
200.94719	2.1
215.97525	2.1
216.98018	4.1
217.08508	2.3
218.96045	1.9
219.08078	3.3
234.98946	21.3
237.02589	2.3
251.10545	3.1
253.00095	3.9
274.12820	7.7
279.10312	2.0
291.09894	2.3
292.13895	5.6
305.10764	9.4
309.11203	12.0
311.12854	9.1
323.12894	1.9
329.07715	1.8
336.12823	3.8
341.13791	5.3
351.05322	4.4
355.03558	1.9
369.06256	2.4
453.08533	2.2
471.09497	28.5
542.07813	2.2
556.23267	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
53.64639	0.5
55.01866	0.8
55.05490	2.4
59.21100	0.6
60.19587	0.5
67.05499	4.7
69.07040	1.7
69.66487	1.3
69.66913	2.3
79.05482	4.3
81.03397	3.8
81.07058	3.5
83.04964	0.7
83.08627	1.4
90.56283	0.5
91.05463	4.0
93.07029	3.7
95.04958	1.5
95.08575	2.0
97.02896	0.6
97.06538	0.8
97.10155	1.6
99.04469	0.6
105.07002	2.1
107.04933	1.8
107.08580	2.1
108.85911	0.5
109.06500	0.8
109.10152	1.1
113.60315	0.5
115.05444	0.6
117.07009	2.1
119.08559	5.4
121.10098	0.9
123.08039	1.0
124.62325	0.5
125.09636	1.5
129.06995	1.8
131.08559	1.3
133.10083	1.3
135.07980	0.7
143.01721	0.6
143.08484	1.1
145.06459	0.7
145.10109	1.7
147.08002	1.5
147.11685	0.7
153.06857	0.6
157.10146	1.5
159.08008	1.5
159.11644	0.8
161.09587	0.8
169.10121	0.8
173.09631	1.7
181.10022	0.5
183.11685	0.8
189.11143	0.8
193.12141	0.8
203.05267	1.3
253.15807	0.7
259.07700	0.8
271.16983	1.3
275.20099	1.1
289.17862	0.7
311.20053	1.9
319.21072	1.9
337.22260	2.1
361.22205	0.7
379.22885	0.6
393.25815	1.5
463.28351	1.0
537.31519	1.9
555.31348	100.0
556.31635	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	554.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.01862	0.8
55.05502	1.7
56.05015	0.4
57.03415	0.8
58.06579	1.2
60.04510	0.3
61.02913	0.4
65.03920	1.0
67.05500	14.8
67.68494	0.3
69.03420	3.1
69.07056	1.0
69.25898	0.6
69.26303	3.2
70.06581	2.8
71.04971	1.1
71.07321	0.4
72.08128	0.8
72.75997	0.4
76.95881	0.3
79.05492	2.1
81.03410	9.9
81.07047	8.9
83.04947	0.5
84.04498	0.4
84.08135	0.7
85.02898	3.4
86.09682	1.0
91.05482	4.5
93.07036	3.7
95.04961	9.1
95.08598	5.1
97.02875	4.9
97.06503	0.5
99.04427	1.3
99.08076	0.6
101.04449	0.3
102.05532	1.2
103.05441	1.2
104.07059	0.5
105.07024	0.8
107.04943	1.0
107.08585	1.4
109.02876	6.1
109.06525	1.9
109.10146	34.7
110.07154	0.5
119.04927	13.1
119.08563	2.5
120.08076	1.5
121.06509	3.1
121.10105	0.9
122.06013	0.4
123.04418	29.3
124.03932	1.1
125.05984	0.7
127.03036	0.4
127.03905	3.1
129.10225	0.7
133.10057	0.4
135.08037	0.5
136.07539	1.4
137.06049	0.8
137.09602	63.4
138.09944	0.4
146.05969	1.7
147.04402	11.5
147.08043	0.4
148.07529	3.3
149.08389	3.6
150.05524	0.4
150.08054	0.5
155.10675	3.0
160.07515	0.3
162.09178	0.7
162.11671	0.3
163.07568	0.4
164.10704	28.5
165.05467	24.2
165.09100	37.3
166.07275	0.5
168.06560	0.6
183.10170	2.7
201.11168	3.2
201.12660	0.4
206.11797	0.5
208.09702	0.3
210.11235	100.0
211.11494	0.7
238.07066	0.6
252.12392	0.5
269.11697	0.4
281.12964	0.8
296.11047	0.4
303.13004	0.7
305.10651	0.4
309.13330	2.2
313.11856	0.6
314.12210	1.0
315.12622	1.2
317.06720	0.4
326.16284	0.4
327.14395	7.1
366.82904	0.4
372.16672	2.2
385.13797	0.8
450.19446	0.6
508.25415	9.2
508.32684	0.7
554.25989	31.6
555.26190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01861	0.7
55.05515	0.6
56.05025	0.6
60.04528	0.5
67.05508	1.0
67.60480	0.5
69.03422	1.0
69.07062	0.7
69.25674	4.2
70.06582	3.4
72.08118	1.3
73.02948	0.5
77.03910	0.5
79.05492	6.9
80.05004	0.9
81.03393	0.9
81.07046	2.0
82.06589	0.5
83.08626	0.7
84.08150	1.0
85.02909	1.5
86.09705	1.8
87.00826	0.7
91.03964	0.5
91.05472	3.3
93.07041	5.1
94.06552	2.2
95.04951	2.3
95.08641	0.9
96.08121	0.8
97.02904	0.8
97.06503	1.2
97.10143	0.8
98.06054	0.6
103.05477	4.4
105.05764	1.5
105.07013	0.5
106.06549	1.0
107.08572	1.2
108.04481	1.9
108.08105	2.1
108.08763	0.6
109.02837	0.4
109.06540	0.5
109.10094	1.2
110.06032	0.8
110.09677	1.4
118.06555	1.7
119.07328	1.3
119.08588	1.0
120.08096	26.3
121.06523	0.6
121.10133	0.8
122.06026	1.1
122.09686	0.8
127.03902	0.8
131.08551	0.7
133.10132	0.9
134.06010	1.0
135.08028	0.5
135.11766	0.6
136.06187	5.6
136.07535	2.5
137.05940	0.6
137.09521	0.5
138.09122	2.8
140.07066	0.9
140.10666	0.5
142.60452	0.5
146.06006	1.6
148.07561	69.6
149.05940	0.6
149.07901	1.0
152.07022	0.7
156.08076	0.5
159.09212	0.8
161.07100	3.5
162.05486	0.6
163.03969	0.9
166.08603	4.0
167.07057	0.5
168.06529	0.5
176.06990	0.8
177.05499	0.6
180.10213	0.6
184.07545	0.7
187.08629	1.9
187.12253	0.6
191.14191	0.5
197.10783	0.6
198.09074	0.7
199.08708	1.4
199.12358	0.6
200.09346	0.7
201.10205	4.7
208.09703	1.3
211.12331	0.5
213.10246	1.0
214.10948	0.6
215.08284	0.7
215.11699	2.5
224.09258	0.7
225.10254	1.7
226.08682	0.8
226.10983	0.9
227.08171	1.3
227.11790	2.1
229.09712	3.2
229.13354	1.4
230.10393	0.6
231.11223	0.6
239.11728	1.1
241.09674	1.3
241.13393	0.9
242.10449	0.8
243.11240	3.0
247.14507	0.8
252.08656	13.5
253.13316	0.7
255.11334	4.7
257.12848	4.9
259.09760	0.9
267.11203	1.1
269.12830	1.4
275.13846	5.9
278.84384	0.5
279.10971	0.5
281.12906	0.6
285.12332	6.1
287.13852	1.3
297.12424	2.7
303.13370	100.0
304.13718	1.4
315.13373	16.4
343.12799	1.6
348.06891	1.2
385.14008	1.3
392.21350	0.6
394.21552	0.9
422.20782	3.9
432.18976	0.5
450.20291	8.5
461.17282	0.7
468.21362	6.9
492.21246	0.8
510.22263	2.3
536.19867	3.0
546.04883	0.5
554.21118	17.6
554.29523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01840	0.4
55.05498	1.1
56.05021	0.5
56.96563	0.4
61.02914	0.4
62.08933	0.4
65.03938	0.5
67.05495	1.8
68.04978	0.4
69.03415	1.2
69.07061	4.3
70.06587	4.5
71.04977	0.4
71.08611	0.3
71.60119	0.5
72.08136	1.4
73.02871	0.5
74.02444	2.9
74.06062	0.3
79.05482	2.0
81.03404	1.1
81.07047	2.8
83.04989	0.6
84.04496	0.7
84.08134	5.6
85.02897	1.5
85.06552	0.4
86.06054	0.5
86.09697	16.1
87.04457	0.5
89.07144	0.8
91.05454	3.6
93.07029	4.2
94.06590	0.4
94.07372	0.3
95.04968	2.2
95.08599	1.5
95.94311	0.4
96.08128	0.8
97.02877	0.8
97.06523	1.3
99.04469	0.4
102.05540	0.4
103.05453	7.8
105.06969	1.9
107.08578	1.1
108.08109	0.4
109.02856	0.7
109.06498	0.5
109.10137	1.2
111.08105	0.7
112.07574	0.9
112.11165	0.3
116.98569	0.4
118.06538	0.8
119.04928	1.2
119.07327	0.8
119.08566	1.0
120.08092	100.0
121.02866	0.6
121.06501	0.9
121.08407	1.4
121.10134	1.1
123.04415	1.4
123.11632	0.5
125.09534	0.5
127.03893	0.8
129.06995	0.4
129.10213	0.5
130.06494	1.4
130.08615	1.1
131.04932	0.8
131.08502	0.6
132.08069	0.8
133.10117	0.8
135.11708	0.4
136.07567	4.0
137.05974	1.2
137.09576	0.4
138.05392	0.5
138.09085	0.8
138.12727	0.4
140.07060	0.4
145.06476	0.4
145.10089	0.8
146.05983	1.7
147.04411	1.4
148.07545	8.5
149.07912	3.7
149.09610	0.6
152.14299	1.0
154.15891	7.7
157.10144	0.5
158.06018	0.4
159.11728	0.5
160.07541	1.6
161.05936	0.5
161.09514	0.4
162.05518	0.9
163.03946	0.7
163.11148	0.5
164.07054	0.5
165.05472	2.2
166.08649	0.6
167.06964	0.4
173.09550	0.9
175.08675	0.5
177.09125	0.7
180.13780	0.7
182.08121	1.4
185.09610	0.8
189.05437	0.4
189.09094	4.3
189.12885	0.5
190.12317	0.6
192.06541	0.7
193.12306	0.4
202.12239	9.5
202.14119	0.7
208.13312	1.1
212.10773	0.4
214.12274	0.5
219.10144	0.7
225.15929	0.9
230.11714	0.5
231.10117	5.0
233.09259	0.8
239.11787	0.5
247.14328	0.5
248.12814	8.5
252.08543	1.9
253.09073	2.1
259.14325	0.8
265.15402	1.9
267.11194	0.6
268.11713	0.5
268.76233	0.4
275.13834	2.1
277.15558	0.5
287.05420	0.4
287.13663	0.5
295.10757	0.7
296.10971	1.0
301.11850	1.2
302.12122	2.6
303.13303	0.4
313.11774	4.1
314.12143	5.4
315.13022	0.4
321.14459	1.3
329.11661	0.4
329.14694	1.7
333.21719	0.6
343.20160	0.7
349.18839	0.5
388.22458	0.6
389.20578	2.7
391.20544	0.4
395.19528	4.1
412.22507	0.4
421.19330	0.8
422.20367	0.7
423.19186	0.4
440.21664	3.6
449.18939	1.6
467.19562	1.0
468.21265	34.9
506.37482	0.4
509.21002	0.6
525.30603	2.6
525.79755	0.4
535.29309	2.7
536.27515	20.5
553.19855	2.2
553.30237	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	553.2986
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.05500	0.6
56.96563	0.5
59.42835	0.3
65.01888	0.3
67.05499	2.7
69.07045	0.6
69.37578	3.7
79.05484	1.0
81.03428	0.7
81.07043	1.3
84.08104	0.4
85.02903	0.4
91.05453	0.8
93.07018	1.0
95.05009	0.4
95.08603	0.6
97.02841	0.5
97.06537	0.4
98.20776	0.9
105.07040	0.8
107.08590	0.6
109.10177	1.7
119.08543	0.5
121.10164	0.5
203.05240	0.9
212.66504	0.4
221.40234	0.4
256.15164	0.3
259.08020	1.5
285.10153	0.9
335.20877	1.0
353.21576	0.9
377.21677	0.6
383.24246	0.9
391.24594	2.1
553.29816	100.0
554.30060	1.6
559.30542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.7
57.03418	1.0
67.05500	4.5
69.03420	1.1
69.07043	1.0
70.06582	0.6
70.37821	2.0
70.38181	0.8
73.02900	0.6
78.26069	0.5
79.05497	2.9
81.03404	2.1
81.07050	2.6
83.08600	1.2
85.02913	1.2
89.04207	0.8
91.05466	2.0
93.07028	2.9
95.05010	1.2
95.08602	1.6
97.06529	0.8
97.10159	0.8
97.62069	0.6
105.06999	1.1
107.08590	1.6
108.17327	0.5
109.10162	2.3
111.04333	0.6
116.34135	0.6
117.06974	0.7
119.08543	1.0
119.52464	0.6
121.10167	0.8
122.44633	0.6
125.00005	0.6
125.09689	0.6
125.96600	0.5
127.03903	0.7
131.08551	0.6
133.03398	0.7
133.10167	0.9
135.11617	0.8
145.10075	0.8
147.11568	0.7
151.11188	0.8
154.85100	0.7
156.71426	0.6
163.11250	0.6
184.47473	0.5
203.05350	0.8
215.71271	0.6
269.22641	1.0
317.19400	1.4
441.07516	0.6
507.09500	0.6
535.29254	0.8
553.29785	100.0
554.30273	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	553.2985
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
53.59121	0.3
58.71458	0.3
59.50375	0.3
63.42467	0.2
67.05498	0.6
69.07083	0.3
70.66815	0.9
79.05482	0.5
81.07055	0.5
83.01097	1.0
83.08595	0.3
91.05451	0.6
91.28046	0.2
93.07046	0.5
93.09827	0.3
95.01064	0.5
95.08578	0.3
96.01891	0.4
107.08611	0.3
109.10152	0.4
119.08575	0.3
123.82491	0.3
131.01904	0.3
133.03494	0.6
139.03700	0.4
143.01869	0.3
157.04716	0.4
166.68639	0.3
167.03084	0.3
183.05031	0.3
184.03404	0.4
185.04234	1.1
186.42876	0.2
194.43951	0.3
201.03746	1.4
201.06227	0.3
203.05249	2.0
250.21545	0.3
259.08026	1.9
293.80063	0.3
299.18631	1.0
304.76703	0.3
317.19632	2.4
322.21609	0.3
331.10022	2.6
335.20721	1.7
343.84943	0.3
348.12845	0.3
359.13211	0.9
359.20599	0.5
373.14676	0.4
377.22165	0.3
391.24304	0.5
401.17780	0.5
403.02859	0.3
415.19537	0.8
422.62326	0.3
455.22638	0.6
465.08728	0.3
483.21985	1.7
529.69678	0.3
535.28125	0.6
553.29834	100.0
554.30054	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	553.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52228	0.4
53.03940	1.2
53.96185	0.4
55.01862	0.7
55.05497	1.2
56.79078	0.4
57.07060	0.6
57.38625	0.4
65.03912	0.6
67.05499	2.7
69.03430	2.5
69.07045	1.7
70.06597	1.4
71.04986	2.0
72.08135	0.5
73.02906	0.5
79.05486	9.0
80.05009	2.2
81.03422	2.3
81.05776	0.5
81.07052	4.9
81.60554	0.5
83.04978	1.2
83.08613	1.0
84.08159	0.7
84.27013	0.5
85.02898	4.1
87.00837	1.3
91.05475	6.5
93.05758	0.6
93.07031	11.2
94.06573	2.0
95.04955	3.6
95.08600	3.3
96.08132	1.0
97.02888	1.7
97.06532	0.6
97.10154	0.5
98.21532	0.9
99.04440	1.0
103.05472	5.0
105.01881	0.9
105.04487	0.5
105.05779	2.3
105.07008	4.0
107.04870	0.6
107.08585	4.0
108.08110	4.5
109.02877	1.4
109.06495	1.1
109.10148	2.7
110.09678	1.6
111.04440	0.9
115.03938	0.5
117.06993	1.3
118.06532	2.3
119.04872	0.8
119.07318	2.0
119.08558	3.5
120.08098	32.8
121.02798	0.6
121.10115	2.7
123.04434	0.5
123.11694	1.1
125.09591	0.7
127.03893	2.3
127.11189	1.1
129.07001	0.7
131.08559	1.2
133.10130	2.0
135.11685	1.5
136.07570	15.2
137.09612	0.9
137.13232	0.5
138.09128	2.9
139.03873	0.5
143.08620	0.8
144.08096	0.6
145.04874	0.6
145.10095	3.5
146.06053	0.7
147.11671	2.8
148.07561	100.0
149.07893	1.4
149.13275	1.6
154.07692	0.5
157.10159	1.5
158.09589	0.7
159.11691	1.8
160.07608	0.6
161.13229	1.1
163.11223	0.6
164.07150	0.6
166.08652	3.9
167.06973	0.5
169.08826	0.8
170.09596	0.8
171.11615	0.8
173.13254	1.1
174.05499	4.6
175.03862	0.8
182.09593	0.9
184.07585	1.0
184.11259	0.9
189.16299	0.6
194.09666	0.7
197.08304	0.9
198.09137	1.9
199.09908	1.4
200.10698	0.8
201.16394	1.7
203.17920	0.6
212.07167	0.8
212.10692	5.3
213.16406	0.6
214.08623	2.6
215.17992	0.9
216.86086	0.5
222.09090	1.0
224.10744	1.6
225.07745	1.1
226.08525	4.0
227.09395	1.8
228.10158	1.8
231.05025	0.6
234.07585	0.5
240.06506	0.7
240.10165	8.7
242.08107	1.5
250.08601	1.0
252.08652	40.8
254.08113	4.1
255.08879	2.1
256.09552	1.1
260.09192	2.0
261.49753	0.6
268.09683	22.4
269.22595	0.8
286.10892	1.0
287.23657	2.4
296.09061	12.2
302.10190	13.7
302.13504	1.0
305.24719	0.9
314.10190	98.0
315.10645	1.5
333.16107	0.7
343.22873	0.5
347.13635	0.6
361.15500	1.5
366.15622	0.5
403.16669	0.7
418.23660	0.7
421.17560	17.4
449.17050	26.9
467.18390	0.7
553.17181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01862	1.1
55.05505	3.1
57.03408	1.0
61.02921	1.2
61.22685	1.0
67.05505	4.8
69.03431	5.4
69.07056	3.2
70.06580	8.9
70.20344	3.4
71.04972	1.9
72.08136	1.0
72.22094	0.7
73.02910	0.8
76.24179	0.8
79.05489	10.5
80.05014	2.2
81.03409	5.7
81.07058	8.4
83.04964	1.7
83.08602	1.4
84.08167	1.6
85.02906	7.8
86.09702	3.2
86.79614	0.8
87.00822	3.0
91.05473	8.3
93.07037	13.4
94.06562	1.5
95.04945	3.3
95.08610	6.2
96.08121	1.1
97.02892	4.1
97.06520	2.1
99.04462	1.9
103.05479	6.5
105.01891	1.7
105.05787	1.1
105.07030	6.2
106.82358	0.8
107.04961	0.9
107.08595	5.9
108.08125	6.2
109.02866	2.9
109.10130	4.6
110.09657	1.3
117.07005	1.1
117.22166	0.9
118.06540	2.5
119.07310	1.7
119.08595	6.0
120.08099	37.4
121.06512	2.1
121.10134	3.7
121.28238	0.8
123.04468	0.9
123.08038	1.3
123.11662	1.2
125.09605	1.3
126.75033	0.9
127.03889	5.9
127.11178	1.1
129.07036	1.2
131.08542	2.4
132.10168	1.0
133.10147	2.6
135.11722	2.1
136.07565	13.5
137.05959	1.2
137.09607	1.6
138.09138	2.9
143.08533	1.7
145.04965	1.8
145.10097	5.2
146.05998	1.2
147.04411	2.5
147.11690	4.4
148.07562	100.0
149.07896	1.2
149.09709	1.0
149.13257	2.0
157.10124	2.4
159.11690	4.4
161.13202	2.3
163.03845	1.5
163.11240	0.9
163.14801	1.1
164.06995	0.8
166.08646	7.4
170.09634	0.9
170.13844	0.8
171.11664	1.1
173.13284	1.7
174.05508	5.2
184.07378	2.3
184.11189	0.9
185.13300	1.0
186.09186	1.4
187.14873	0.9
189.16359	0.9
191.14259	1.2
198.09061	1.8
199.14861	1.3
200.10651	1.0
201.16414	3.7
212.10709	3.4
213.16351	1.8
214.08623	3.4
215.17970	1.7
224.10684	1.1
226.08633	2.6
228.10179	2.1
240.10168	6.4
250.08783	0.8
252.08638	40.5
254.08055	3.1
255.08858	1.3
256.09659	0.9
260.09085	1.6
268.09659	16.9
269.22614	1.7
286.10812	2.4
287.23651	4.7
296.09152	10.5
302.10236	22.5
305.24542	1.1
314.10190	71.9
315.10507	1.8
393.17911	0.9
403.16415	1.0
421.17508	16.2
428.72632	0.9
449.17068	30.3
467.17987	4.2
553.17651	1.8
575.26428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.05025	0.5
56.96563	0.2
57.03429	0.2
58.06628	0.5
58.79496	0.1
59.07388	0.2
60.08162	6.7
67.05495	0.5
69.07058	0.2
69.84601	0.1
70.06590	0.6
70.95364	0.4
71.07368	3.4
71.13036	0.1
79.05477	0.3
80.76615	0.1
81.03426	0.2
81.07052	0.5
83.04991	0.2
83.08607	0.2
84.08140	0.2
86.09702	31.1
86.25117	0.1
87.10052	0.2
91.05465	0.4
93.07063	0.3
95.04983	0.2
95.08609	0.3
97.06535	0.2
97.10155	0.2
98.98462	2.9
104.10741	4.8
105.06982	0.3
107.08584	0.2
109.10175	0.2
116.99503	0.1
119.08519	0.2
120.08072	0.1
125.00001	21.1
133.10197	0.2
143.01031	0.5
165.20995	0.1
167.14310	0.2
184.07332	100.0
185.07649	0.6
258.11050	0.3
452.23990	0.3
534.32062	1.7
552.32220	1.4
553.29498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.2
56.05033	0.6
57.03437	0.2
57.63101	0.2
58.06616	0.5
59.07402	0.3
60.08161	6.2
67.05498	0.6
69.07071	0.3
70.06591	0.4
70.92033	0.5
71.04991	0.2
71.07372	3.5
79.05495	0.5
81.03416	0.4
81.07059	0.6
83.08627	0.2
84.08128	0.2
86.09702	30.2
91.05485	0.5
93.07033	0.5
94.07359	0.2
94.77192	0.2
95.04961	0.2
95.08614	0.3
97.06512	0.3
98.98458	2.6
104.10744	5.3
105.07039	0.5
107.08580	0.2
119.08534	0.2
120.08102	0.3
124.99998	20.9
133.10106	0.2
136.60637	0.2
143.01060	0.5
145.10139	0.2
151.03912	0.2
154.47632	0.2
184.07333	100.0
184.32062	0.2
185.07593	0.5
212.53371	0.2
239.90865	0.2
258.11105	0.3
387.60568	0.2
442.54715	0.2
452.23776	0.7
520.20245	0.4
534.32092	1.0
552.33344	3.0
553.29364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05503	3.1
56.96558	2.1
57.07066	0.6
61.01136	0.6
61.02911	1.2
62.07304	0.5
65.03923	0.8
67.05486	2.4
68.05007	0.8
68.70441	0.5
69.03426	2.0
69.07066	6.9
70.06591	16.1
70.84721	1.2
71.04989	1.0
72.08153	2.8
73.02908	1.0
74.06069	0.9
79.05478	1.7
81.03388	1.2
81.07061	3.3
83.04983	0.6
83.05450	0.5
83.08613	1.3
84.04494	1.7
84.08136	3.1
85.02904	5.1
85.06535	0.6
86.09707	4.4
89.03902	0.8
91.03954	0.5
91.05481	7.8
93.07043	2.8
95.04935	0.9
95.08610	6.9
97.02907	2.5
98.06050	0.7
98.97564	0.9
99.67701	0.5
102.05524	0.7
105.07018	8.6
107.08607	3.8
109.02848	0.7
109.06490	0.7
109.10152	5.8
110.07152	1.6
116.98627	0.8
117.07018	0.8
119.04948	8.0
119.08578	29.2
120.08127	4.3
120.08869	1.0
121.10120	2.3
123.08056	0.8
129.10237	1.1
131.08524	1.4
133.10124	28.2
135.11656	2.1
136.07594	1.5
137.09607	3.9
145.04927	0.8
145.10086	2.0
146.99677	0.8
147.04402	27.6
147.11665	4.8
148.04732	3.1
149.05963	0.6
151.14786	0.9
158.73322	0.5
160.12515	1.0
163.03897	0.8
173.13222	1.0
175.14816	100.0
177.05484	2.2
178.05777	0.6
181.05066	1.0
193.15880	17.0
203.19841	0.5
210.11130	0.7
213.00710	0.6
237.02853	0.9
238.17897	1.2
239.02275	0.9
254.17508	2.0
273.06021	0.6
296.53131	0.6
298.19958	0.5
328.21216	5.8
330.22778	1.7
372.23810	5.2
379.08783	0.8
397.09851	1.0
427.16400	0.9
490.26218	1.6
534.29120	12.2
552.30054	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	552.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01868	3.3
55.05508	10.3
56.05035	7.2
56.15339	1.3
56.96548	2.3
57.03411	2.0
57.07062	2.0
60.04519	1.2
61.01146	3.6
61.02923	1.9
67.05161	2.2
67.05503	26.3
69.03432	6.2
69.06721	1.4
69.07069	14.0
69.59679	1.1
70.06582	7.4
71.05000	6.5
72.08148	3.5
73.02884	1.6
79.05491	12.7
81.03438	6.6
81.07056	36.0
82.06578	1.1
83.04967	3.4
83.06097	1.1
83.08618	7.5
84.04503	2.4
84.08129	5.1
85.02909	10.8
85.06528	3.4
86.09690	8.4
87.00823	2.3
91.05482	12.0
92.05783	1.6
93.07037	22.9
95.04958	3.5
95.08607	38.2
96.01999	1.1
97.02895	4.2
97.06540	5.7
97.10162	8.6
99.04446	2.9
99.08066	1.5
101.07154	2.1
103.05448	2.5
104.05325	21.1
105.07005	9.9
107.08595	18.6
109.02859	3.7
109.06504	4.0
109.09455	1.8
109.10156	25.9
111.04391	1.3
111.08064	2.5
111.11712	2.0
117.06997	2.8
119.08585	11.1
120.08100	8.5
121.06484	4.0
121.10146	15.8
122.42668	1.2
123.08076	3.8
123.11703	10.2
127.03911	4.9
131.08537	7.1
132.08977	1.5
133.10129	13.4
135.08038	4.7
135.11710	10.0
136.07550	4.6
137.05972	5.2
137.09599	8.4
137.13219	2.8
139.11157	2.1
141.09113	1.9
143.08522	1.4
145.10141	8.5
147.04408	2.0
147.11671	5.5
148.07559	9.2
149.07422	3.7
149.09604	6.6
149.13254	5.9
151.11241	9.1
151.12280	1.9
153.09096	3.3
155.10651	2.2
159.11665	5.4
161.13316	1.4
163.03867	2.2
163.07529	2.3
163.11157	3.4
165.12793	1.8
167.10669	1.9
169.12148	1.6
173.02283	1.6
173.13234	4.1
180.10172	3.4
181.12268	2.0
182.07979	1.2
184.07353	1.2
189.16379	1.4
191.17938	4.9
195.13733	2.4
203.02161	1.2
211.19003	1.3
213.03909	1.3
215.06966	1.7
215.17961	20.3
233.19005	14.0
239.11794	1.2
241.09766	2.1
243.08128	2.2
251.20026	14.9
252.08720	3.0
253.09833	1.4
259.09702	3.3
260.10645	13.2
267.11209	1.2
269.21118	100.0
283.10559	1.4
287.22137	21.8
287.45218	1.5
293.18478	3.1
293.21356	1.9
295.10803	2.3
301.11896	3.3
303.04828	1.9
313.11926	3.8
319.22653	1.3
337.23563	1.9
348.48425	1.3
448.18375	1.4
457.46286	1.3
534.18817	1.9
552.19171	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	552.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
54.03474	0.6
55.01864	1.1
55.05505	1.1
56.05031	0.6
56.78625	0.5
56.96554	0.9
57.75416	0.6
60.04518	1.3
61.20922	0.5
67.05494	3.0
68.37186	0.5
69.03423	1.6
69.07059	1.2
70.06592	4.2
70.08382	0.8
70.08778	1.5
71.04991	0.6
72.08157	2.1
74.06070	0.5
79.05489	7.4
80.05013	2.2
81.03423	2.0
81.07053	2.5
83.04981	1.1
83.06070	0.7
84.04494	1.1
84.08128	2.2
85.02898	2.1
85.06537	0.8
86.09698	2.3
90.94830	0.6
91.05481	5.2
93.07044	7.8
94.06557	2.4
95.04968	3.1
95.07349	0.8
95.08598	1.9
96.08132	1.5
97.02883	1.7
97.06511	1.0
97.10194	0.8
103.05472	8.6
105.05780	1.5
105.07017	2.1
107.04900	0.7
107.08600	1.4
108.04469	0.9
108.08099	5.0
109.02869	1.2
109.10146	1.0
110.07108	1.2
110.09698	3.4
117.06967	0.9
118.06540	2.6
119.07301	1.9
119.08604	1.4
119.23788	0.5
120.08102	37.1
121.06509	1.1
122.09682	1.2
123.08055	1.4
127.03885	1.1
129.10229	0.9
131.04984	1.4
133.10141	0.9
134.41394	0.5
134.99683	0.7
136.07574	6.6
137.06003	2.6
138.05457	3.5
138.09119	4.5
140.10669	1.2
145.08839	0.6
145.10078	1.2
146.05971	0.6
147.04373	0.9
147.11668	0.6
148.07565	97.4
149.07957	1.0
149.09576	0.6
150.09103	0.7
163.11189	0.7
164.07010	0.8
166.05009	2.4
166.08641	8.4
166.94748	0.5
167.10703	0.5
174.05464	0.8
176.07118	0.7
183.09175	0.7
194.09744	0.5
196.09856	1.1
197.10741	0.8
198.09271	1.0
199.08704	0.8
200.09467	1.7
201.10242	0.6
208.09608	3.5
209.10710	0.8
211.08644	2.3
211.12212	1.5
212.09396	2.3
213.10236	4.5
214.10927	1.2
215.06973	0.7
221.10776	0.7
222.09109	2.0
223.12212	0.6
224.09293	2.0
224.11063	1.1
225.10197	6.6
226.10919	1.0
227.08107	0.6
227.11786	3.5
229.09637	1.6
229.13208	0.6
231.09148	0.8
234.07587	0.6
237.10175	1.0
239.08110	1.1
239.11748	13.0
239.14148	0.9
240.08925	1.1
240.12395	0.7
241.09763	4.0
242.10474	2.4
249.10193	1.0
250.08687	2.9
251.08133	0.8
251.11719	0.8
252.08656	30.7
253.09743	6.2
254.08156	0.6
254.10352	3.5
255.11299	5.5
257.12790	0.9
265.09720	1.2
267.11276	15.7
268.11917	2.3
269.12546	0.8
271.10782	0.8
273.12363	1.8
278.08072	0.7
280.08481	0.8
283.10757	4.9
285.12253	1.5
295.10767	17.4
301.11819	35.6
302.12238	0.9
313.11798	100.0
314.12155	2.1
392.19620	1.0
402.18170	0.7
420.19098	5.5
430.17532	1.5
448.18671	22.5
466.19760	8.9
478.15839	0.9
480.36362	0.8
490.19498	0.8
498.38098	1.4
508.20612	5.6
516.38696	0.6
534.18445	2.2
552.19763	11.2
552.32410	0.8
570.24237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01870	0.7
55.05509	0.4
56.05018	0.5
56.69382	0.3
60.04516	0.3
65.03951	0.5
67.05493	1.7
68.05029	0.3
69.03397	0.7
69.07053	0.8
69.93761	1.0
69.94173	0.8
70.06588	4.3
72.08143	1.2
79.05490	6.6
80.05021	1.8
81.03406	1.0
81.07047	1.2
82.06580	0.4
84.04476	0.7
84.08128	1.8
85.02892	1.0
86.09717	2.0
91.05474	5.3
92.04993	0.6
93.05772	0.5
93.07042	8.1
94.06578	1.8
95.04956	2.3
95.07314	0.4
95.08599	0.6
96.08134	1.7
97.02883	0.9
97.06547	0.5
103.05459	7.0
105.05778	2.0
105.07037	1.1
107.04948	0.6
107.08592	2.8
108.04427	0.7
108.08118	4.6
109.02866	0.8
109.06529	0.5
110.06022	1.0
110.07145	0.6
110.09694	2.1
115.05439	0.8
117.07008	0.8
118.06532	3.3
119.04919	0.6
119.07323	2.8
120.01974	0.3
120.08099	35.6
121.06502	0.8
121.10149	0.4
122.06055	0.7
122.07156	0.5
122.09642	0.4
123.04413	1.1
127.03923	0.9
128.06290	0.3
129.10255	1.0
135.08043	7.2
136.07565	7.6
136.08533	0.6
138.05487	3.0
138.09137	4.4
145.07593	1.1
145.10081	0.5
146.05952	0.8
146.07948	0.5
147.06825	0.4
148.07562	100.0
149.07951	1.1
150.09129	0.9
152.07095	0.4
162.05476	0.4
163.07492	2.1
163.11151	0.7
164.07085	0.7
164.10693	1.2
165.05481	1.0
166.04974	2.8
166.08630	7.9
166.09926	0.6
169.08649	0.5
170.09683	0.4
174.09235	0.4
180.08061	0.3
181.08669	2.9
182.08237	0.5
182.09692	0.8
183.09264	0.3
184.07565	0.5
185.07095	0.4
185.77673	0.3
194.09691	0.8
196.07576	0.3
196.09909	1.8
197.10674	0.8
198.09187	1.0
199.08583	0.6
200.09407	1.2
201.10089	0.5
208.09703	2.5
209.08557	0.4
209.10637	0.4
210.09157	1.1
210.11285	5.3
211.08437	1.8
211.12320	1.2
212.09261	2.3
213.10251	3.9
213.12178	0.6
214.11058	0.8
221.10678	0.6
222.09178	1.3
224.09116	2.1
225.10231	4.9
226.08813	0.7
226.11093	1.2
227.08167	1.2
227.11693	3.1
228.08958	0.9
229.09698	2.3
229.13271	0.6
233.05914	0.4
237.10158	0.8
238.10950	0.4
239.08115	1.3
239.11780	11.6
240.08736	2.2
241.09702	3.7
241.13380	0.7
242.10391	2.5
249.10155	1.1
250.08659	1.3
251.08131	0.5
251.11743	0.7
252.08655	32.7
253.09679	6.3
254.10512	2.0
255.11331	3.4
257.12866	0.7
265.09409	0.5
266.10590	0.7
267.11261	12.6
268.12070	1.7
269.12790	0.4
270.11243	3.6
273.12372	1.3
277.10193	0.5
278.08096	0.4
280.08420	0.8
283.10800	5.5
285.12592	1.6
287.05408	1.4
295.10770	15.2
299.10477	0.4
300.10977	1.4
301.11810	33.4
313.11795	87.7
314.12238	1.4
318.15955	0.7
325.10809	1.3
332.13968	0.5
346.15335	0.5
386.14783	0.3
390.14435	0.4
392.19559	0.8
402.18143	1.0
405.17981	0.4
420.19122	5.7
430.17392	1.7
448.18640	16.4
449.19379	0.7
466.19778	7.2
480.21484	0.5
490.19571	1.3
508.14563	0.5
508.20932	4.8
524.19769	0.4
534.18842	2.4
552.19226	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	551.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01866	2.3
55.05505	14.9
57.03418	5.4
57.07068	38.9
67.05499	23.3
69.03421	3.2
69.07063	10.2
69.31161	10.7
69.31580	2.9
71.04971	3.9
71.08624	23.6
74.40301	1.2
79.05485	12.9
81.03410	35.6
81.07048	35.7
83.05006	6.7
83.08613	21.6
85.02893	20.7
85.06504	1.9
85.10181	15.6
91.05476	19.6
93.07027	11.0
95.04963	18.3
95.08589	24.2
97.02895	2.9
97.06536	2.3
97.10161	10.9
99.11769	1.2
105.07027	13.5
105.51550	1.2
107.04940	4.6
107.08585	5.2
109.06509	3.2
109.10138	9.8
111.04398	2.0
111.08105	7.2
111.11717	2.1
113.06010	1.4
119.08563	11.8
121.10144	7.8
123.08094	1.7
123.11707	4.5
129.07025	6.5
131.08563	5.0
133.06447	2.0
133.10114	6.2
137.13258	1.6
142.07796	1.8
147.08029	1.7
147.11687	8.7
149.09564	3.2
149.75122	1.6
157.10187	7.0
165.12782	1.6
175.11191	9.7
193.12216	33.3
211.13268	49.1
212.60924	1.2
240.79234	1.3
249.49260	1.3
267.15967	3.8
267.26840	3.3
341.30408	6.3
533.42181	2.6
551.43024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.05507	4.0
56.05037	2.7
57.03437	0.8
58.06610	0.3
60.04527	0.5
61.02925	2.4
61.70374	0.3
65.03928	0.5
67.05502	1.7
68.05028	1.6
69.03430	1.1
69.07066	0.7
70.06586	41.4
71.04995	1.5
71.07389	0.3
71.43903	0.3
71.44267	0.4
72.08150	100.0
73.02923	1.4
73.06554	0.5
79.05471	2.2
80.05012	3.6
81.03417	2.0
81.07048	1.9
82.06580	1.9
83.04990	0.7
83.08613	1.6
84.04506	0.5
84.08137	3.0
85.02891	2.2
85.07657	0.5
86.06099	0.4
86.09715	1.3
88.07632	1.2
91.03966	1.2
91.05483	2.3
93.07070	1.4
94.06561	1.4
95.04986	1.1
95.07405	0.3
95.08620	0.5
96.04526	0.3
96.08119	1.5
97.02881	1.8
97.06512	0.6
97.10163	3.3
98.06084	0.5
98.09726	0.5
101.02384	0.4
103.05486	0.3
105.07064	1.0
105.10235	0.6
106.06587	0.3
107.04969	0.3
107.08556	1.5
108.08127	1.1
109.02898	0.5
109.10198	0.3
110.07175	0.5
110.09676	9.2
111.08101	0.3
112.07623	0.4
114.09191	0.4
116.07093	0.4
117.07063	0.6
119.04973	1.0
119.08590	0.6
120.08123	0.9
125.09647	1.6
126.09177	0.7
127.03902	1.4
127.12314	0.8
128.10710	5.6
129.07018	0.3
129.10265	0.9
131.08528	0.7
133.10156	0.7
135.08069	0.6
136.07603	1.2
145.05011	0.4
147.04393	3.9
147.11743	0.8
148.04758	0.4
149.09631	0.5
157.10104	0.4
164.14412	0.4
165.12762	0.3
174.12772	0.5
175.11212	0.6
177.05418	0.5
189.11308	0.8
192.13812	4.5
193.12308	0.8
195.07732	0.3
198.11302	0.6
208.13443	0.4
210.14946	1.1
213.12433	0.4
242.92921	0.3
250.06906	0.3
254.68388	0.3
262.18149	0.3
266.17596	1.1
267.15958	0.7
279.20667	0.7
284.18530	12.4
285.16971	0.8
302.19769	0.9
324.21735	2.0
326.19519	0.4
353.24347	1.9
354.22803	0.8
371.25467	3.4
372.23788	1.5
389.26443	14.6
410.21747	0.5
428.22717	0.4
446.23746	3.5
447.24875	1.2
515.29443	1.5
516.28339	0.4
533.30713	1.8
534.28937	0.7
536.99054	0.3
551.31744	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	551.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01875	0.6
55.05510	4.7
56.05033	2.8
57.03424	0.6
59.75453	0.3
60.04525	0.4
61.02924	2.8
67.05496	1.7
67.25067	0.4
68.05028	1.7
69.03426	1.8
69.07060	0.7
70.06589	46.4
71.04987	2.9
71.06937	0.4
71.07343	0.4
71.58784	0.3
71.59212	0.7
72.08150	100.0
73.02932	1.7
73.06573	0.8
73.29733	0.3
74.06062	0.3
79.05489	1.8
80.05003	2.7
81.03421	2.9
81.07047	1.9
82.06564	2.0
83.04975	2.7
83.06083	0.4
83.08607	1.8
84.04491	1.7
84.08142	4.3
85.02904	4.6
85.07674	0.5
86.06079	0.4
86.09703	2.5
87.09238	0.4
88.07642	1.0
90.94847	0.4
91.03969	1.6
91.05461	1.9
93.07040	1.2
94.06564	1.0
95.04985	1.0
95.08604	0.6
96.04488	0.4
96.08126	1.9
97.02886	2.4
97.10149	2.6
98.09695	0.5
99.04468	2.1
101.05996	2.2
101.07108	0.4
103.03949	1.1
105.07001	0.8
105.10241	0.4
106.06580	0.5
107.04959	0.5
107.08607	1.4
108.08091	0.8
109.02869	2.4
110.07187	0.9
110.09681	8.7
111.04433	0.3
112.07609	0.8
114.09163	0.5
115.03921	0.4
116.07092	0.7
119.04959	0.5
119.08585	0.9
120.08112	1.5
124.07590	0.4
125.09588	1.8
126.09141	1.0
127.03911	21.0
127.12336	0.4
128.10715	5.0
129.10237	1.5
133.10197	0.6
135.08049	0.5
135.11745	0.5
136.07608	1.0
137.06009	0.5
143.07042	1.3
145.04974	1.0
147.04443	1.0
147.11664	0.8
149.09654	0.6
161.08070	1.1
174.12778	0.4
175.11099	0.5
184.25629	0.3
189.11211	0.7
192.13815	4.5
193.12292	1.0
198.11269	0.7
210.14903	0.5
213.12413	0.8
215.00095	0.5
227.12785	0.5
232.17044	0.7
261.19583	0.5
262.17987	0.6
266.17493	0.8
267.15775	0.8
283.15500	0.4
284.18570	10.9
285.16956	1.0
302.19632	2.4
303.05063	1.9
324.21649	2.6
326.19843	0.5
353.05307	0.6
353.24237	1.9
354.22897	0.7
371.25397	1.5
372.23642	1.8
389.26456	14.9
410.21741	0.5
446.23749	3.8
447.24506	1.7
477.10883	0.5
515.29681	1.6
533.30597	1.9
534.28821	0.8
551.31696	18.2
558.62775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
54.78588	1.4
55.01851	2.3
55.05497	5.9
56.96560	1.8
57.03413	2.5
60.08159	3.5
61.02925	2.2
65.03924	1.8
67.05497	26.7
69.03429	11.8
69.07068	5.2
70.06580	4.9
70.23042	6.4
71.04990	4.1
72.08115	2.0
79.05096	1.6
79.05487	10.0
81.03409	17.1
81.07063	15.9
83.04963	8.1
83.08590	2.6
84.08144	2.4
85.02901	7.2
85.06519	2.6
86.09704	15.5
87.10023	4.7
91.05473	12.6
93.07037	15.3
95.04960	12.1
95.08609	17.1
97.02896	9.8
97.06534	8.3
98.98405	2.6
99.04457	4.3
99.08047	1.9
103.05478	2.0
104.10729	4.9
105.07013	18.8
107.04971	4.6
107.08579	12.2
109.02879	20.5
109.06512	10.5
109.10146	44.9
111.04430	2.3
117.07041	3.1
119.04939	2.5
119.08572	22.4
120.84947	1.5
121.06512	5.6
121.10139	10.8
123.08062	13.5
125.00008	12.0
125.05959	2.7
125.09657	1.8
127.03888	13.4
131.08543	5.5
133.06476	6.2
133.10094	10.9
135.08055	6.4
135.11726	1.8
136.07553	2.3
137.05989	2.2
137.09607	93.8
138.09956	1.6
142.07732	2.2
143.08542	4.3
145.10118	8.9
147.04451	2.3
147.08055	8.2
147.11684	13.6
149.06064	2.2
149.09604	68.9
151.11172	3.6
153.09045	1.8
154.28339	1.6
155.10643	5.0
156.09290	5.4
157.10121	3.1
159.08052	4.4
159.11719	3.4
160.08829	2.3
161.09583	5.9
161.13208	11.1
163.11165	16.1
165.09106	61.6
165.12732	3.8
169.04918	3.9
171.10437	1.9
171.11621	8.7
173.09633	3.4
173.13193	2.3
174.10411	13.6
175.11133	2.3
183.10184	3.9
184.05763	3.1
184.07336	48.8
185.07741	13.3
185.09271	2.7
187.11118	3.3
189.12738	56.2
191.10652	1.8
191.14301	19.2
201.11182	6.0
207.13786	100.0
235.13123	2.1
249.14622	3.4
268.43475	1.8
273.14844	2.4
297.14914	1.9
309.13358	7.6
315.15738	1.6
327.14255	6.4
351.17804	1.6
520.20734	3.4
536.41986	2.0
549.76202	1.7
551.28674	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	551.1033
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.49358	0.1
53.03926	0.7
55.01857	0.6
55.05497	0.3
56.05021	0.2
57.03412	0.7
61.02905	0.7
65.03920	0.2
67.05497	0.3
68.05038	0.2
68.99774	0.7
69.03419	6.3
70.06586	1.6
70.16647	0.7
71.01342	0.4
71.04976	0.7
72.08137	0.5
73.02917	1.1
74.06096	0.2
79.05482	0.3
81.03410	4.5
81.07024	0.4
83.01339	0.2
83.04950	0.2
84.04517	0.2
84.08119	1.0
85.02895	5.6
86.09700	0.8
87.00825	4.4
87.04429	0.2
89.03219	0.1
91.03927	0.8
91.05443	0.5
93.03391	0.3
93.07027	0.3
95.04941	0.3
95.08583	0.4
97.02887	2.9
97.06525	0.2
99.04439	1.3
101.02367	0.2
105.01878	1.9
105.07008	0.3
107.08570	0.2
109.02871	3.0
109.10164	0.3
110.07154	0.3
111.00790	1.0
115.03905	0.2
117.01826	1.1
119.04948	0.2
120.08088	0.7
121.02837	0.9
121.06568	0.2
123.04404	0.2
123.08047	0.2
127.03902	4.4
129.01790	0.2
129.10194	0.5
133.06474	0.2
136.07553	0.2
136.21541	0.2
137.02318	3.2
137.03383	0.2
145.04945	1.5
145.07579	0.8
147.04378	0.4
149.02304	0.4
153.01808	4.4
159.02881	3.5
159.04198	0.1
161.05966	0.5
163.03914	0.8
165.01822	2.0
173.05942	0.5
183.02867	0.7
183.04385	0.3
187.03922	0.4
195.02931	0.4
201.05420	1.6
205.01262	0.2
207.42912	0.1
211.03848	0.2
211.70352	0.2
213.03894	0.3
219.03029	0.2
228.37152	0.2
229.04953	4.4
230.96730	0.2
231.04948	1.9
247.05984	0.8
257.02090	0.3
257.04468	3.1
267.19592	0.3
274.04745	0.8
285.03928	1.0
303.04956	100.0
304.05301	1.6
345.06104	0.2
349.98169	0.2
411.07156	0.2
551.25964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
58.06614	0.5
60.08160	6.2
60.08468	0.3
67.05502	0.7
69.07058	0.3
71.07366	2.7
71.60090	0.3
79.05482	0.5
79.56222	0.2
81.03406	0.2
81.07066	0.4
83.08604	0.2
86.09699	31.3
91.05463	0.4
93.07055	0.3
95.08656	0.2
97.10183	0.2
98.98451	2.6
104.10729	3.9
107.08530	0.2
121.24361	0.2
121.35235	0.1
124.99998	21.1
143.01027	0.5
184.07326	100.0
185.07707	0.3
204.05952	0.2
274.46472	0.2
285.10019	0.3
293.21048	0.3
368.45923	0.2
532.30042	0.9
550.31464	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	550.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77938	0.3
55.05508	0.4
56.05031	0.7
56.96559	0.3
57.03421	0.4
58.06600	0.4
60.08158	7.5
62.29307	0.2
67.05498	0.8
67.75294	0.2
69.07065	0.4
70.06573	1.0
70.96117	0.6
70.96487	0.4
71.07362	3.6
72.08145	0.4
79.05480	0.9
81.03401	0.7
81.07040	0.7
83.04974	0.3
84.08150	0.3
86.09700	35.6
91.05487	0.5
93.07023	0.5
95.08634	0.4
97.02895	0.3
97.06525	0.8
97.10142	0.3
98.98461	2.8
99.92811	0.2
104.10029	0.6
104.10735	10.1
105.07008	0.5
107.08588	0.5
109.02860	0.3
109.10159	0.4
119.08607	0.4
124.99995	21.5
127.03930	0.3
136.07516	0.3
143.01064	0.4
160.35391	0.3
184.07327	100.0
253.14549	0.3
258.10934	0.4
264.03903	0.3
276.87201	0.3
277.30490	0.2
305.01990	0.2
325.12338	0.2
532.30627	2.3
550.31232	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	550.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38103	0.2
53.03926	0.2
53.24063	0.3
55.05498	0.5
56.04781	0.2
56.05028	0.7
56.96559	0.2
57.03441	0.3
58.06618	0.5
60.08158	6.3
65.03928	0.2
67.05492	0.6
69.07054	0.6
69.25467	0.2
70.06577	0.5
71.07365	2.7
71.50419	0.2
72.08141	0.2
79.05478	0.6
81.03413	0.5
81.07050	0.7
83.04971	0.4
84.08174	0.3
85.02892	0.5
86.09700	31.1
91.05482	0.4
93.07030	0.7
95.04948	0.4
95.08609	0.6
97.02877	0.3
97.06521	0.5
97.10178	0.2
98.98460	3.0
104.10738	4.8
105.07035	0.5
107.08597	0.5
109.10162	0.7
116.99499	0.2
119.08601	0.3
119.33881	0.2
121.06481	0.2
121.10164	0.3
124.99997	19.7
127.45801	0.2
129.06912	0.3
129.48633	0.2
136.07570	0.3
143.01004	0.6
153.14572	0.2
162.02449	0.2
184.07327	100.0
185.07419	0.2
195.95151	0.2
196.46649	0.2
245.93965	0.2
258.83224	0.2
283.06503	0.2
291.19504	0.5
381.35779	0.2
452.23932	0.4
459.15601	0.2
487.57440	0.2
502.12799	0.2
532.30353	1.3
550.23450	0.3
550.31354	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	550.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
53.07076	1.2
55.05495	3.3
56.96566	1.4
60.08158	2.9
61.02912	1.4
65.02797	1.2
67.05162	1.9
67.05498	24.7
69.03431	1.4
69.07056	4.7
69.60294	9.2
70.06590	4.2
71.07372	1.3
79.05495	2.7
81.03420	2.1
81.07053	15.6
83.08584	1.6
84.08128	3.2
85.02872	1.8
85.93333	1.2
86.09692	16.6
88.72939	1.3
91.05469	22.3
93.07042	5.6
94.06528	1.2
95.04448	1.4
95.04942	6.6
95.08607	6.6
97.06533	3.5
99.04482	1.6
104.10758	2.5
105.07017	3.3
107.04937	3.7
107.08574	3.6
109.06498	2.8
109.10145	40.5
111.04423	1.9
115.05452	3.1
117.05708	1.7
117.07009	1.6
118.06532	6.6
119.04922	14.4
119.08606	5.5
120.08133	1.8
121.10122	2.9
123.04430	2.1
123.11616	1.8
125.00008	8.6
126.09180	2.1
129.10263	1.2
130.06512	11.5
130.98143	1.1
132.08076	24.1
133.10138	2.1
135.11644	1.2
136.07567	92.7
137.09599	80.5
139.11186	1.8
142.06500	4.5
144.08044	3.3
146.05997	19.7
147.04405	2.5
147.08089	1.7
148.07591	1.3
149.38805	1.2
155.10652	2.9
157.07661	1.4
159.09161	100.0
160.07538	3.4
161.09576	1.6
161.33540	1.3
163.03888	1.5
165.05426	3.5
165.09100	46.4
169.07549	1.5
170.06021	3.0
182.08130	6.3
182.11734	4.0
184.07329	43.2
185.07108	2.4
187.08636	2.2
188.07033	26.4
196.09912	1.2
197.08380	4.8
199.14406	2.3
205.09708	5.3
260.10568	6.1
272.16495	2.9
273.59839	1.1
277.13345	2.9
295.17975	1.8
300.15900	13.7
305.16342	1.8
318.16910	18.7
323.13861	1.3
323.17496	20.4
341.14615	2.4
341.18546	31.0
346.16476	2.7
351.16925	2.6
369.18036	6.4
387.19147	4.4
458.24493	8.7
486.23746	10.4
504.24918	66.6
531.91284	1.6
532.24200	9.3
550.24902	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	549.1243
Annotation	Quercetin 3-(3'',6''-diacetylgalactoside)
Peak:m/z	Relative Intensity
53.03940	2.9
55.01852	0.5
55.05495	0.6
56.96550	1.0
57.03424	0.9
57.46538	0.3
61.02903	1.0
62.21749	0.3
64.66695	0.3
65.03899	0.4
67.05486	1.5
67.10944	0.3
68.99772	0.8
69.03426	5.0
69.07038	1.1
70.06570	1.1
70.66725	0.3
71.04969	1.1
72.08169	0.5
73.02880	0.4
79.05472	0.9
80.31570	0.3
81.03414	16.5
81.07031	1.3
83.04941	0.5
85.02903	6.5
85.06528	0.4
86.09693	1.6
91.05463	1.2
93.07008	1.1
95.04952	1.4
95.08597	0.8
97.02877	3.7
97.06507	2.0
99.04442	2.0
103.03922	1.2
103.05447	0.5
105.07026	0.8
107.04952	0.5
107.08566	0.5
109.02875	11.7
109.06454	0.4
109.10158	0.6
111.00778	0.9
115.03883	0.4
115.05438	0.4
117.07009	0.7
119.04879	0.4
119.08547	0.7
120.08055	0.3
121.02869	0.9
121.06522	0.6
123.08049	0.5
127.03910	9.0
129.10271	0.4
131.04890	1.1
131.08528	0.4
135.04408	0.6
135.11595	0.4
137.02341	3.2
137.05951	1.9
145.06496	0.4
147.04362	0.5
149.02313	0.5
151.03874	0.7
151.07555	0.5
153.01801	3.6
159.08029	0.6
161.06032	0.8
163.03928	1.2
163.07587	0.4
165.01814	1.8
169.04951	0.8
173.02249	0.5
173.06020	0.7
177.05502	0.7
179.03307	0.3
183.02808	0.4
187.03947	0.3
187.05983	2.3
191.06993	0.5
195.02881	0.4
201.05496	1.8
215.06970	0.8
219.06429	0.5
229.04889	4.0
229.07079	3.5
247.06000	0.6
247.08130	0.5
257.04453	2.6
259.09634	1.0
261.10107	0.4
274.04651	0.4
285.03958	1.4
303.04971	100.0
304.05289	1.1
315.04950	0.7
355.08154	0.7
357.16321	0.5
365.06531	0.4
369.05664	0.4
393.05899	0.8
409.61731	0.4
411.07071	1.0
417.11838	0.9
419.22092	0.4
453.08218	1.0
517.18542	2.2
548.34985	0.5
566.90387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
56.05031	0.7
58.06633	0.6
59.05013	0.2
60.08158	6.9
67.05494	0.6
69.03402	0.2
69.07050	0.4
70.06579	0.4
70.72174	0.3
71.07365	3.4
72.57162	0.1
79.05494	0.5
79.08117	0.1
81.03413	0.4
81.07041	0.3
82.39448	0.2
86.09698	30.9
86.77986	0.2
89.27405	0.1
91.05478	0.3
93.07037	0.3
95.04958	0.3
95.08580	0.2
97.06548	0.8
98.06866	0.2
98.98453	3.1
104.10737	3.8
105.06994	0.2
107.08592	0.2
116.87400	0.2
121.10087	0.1
124.99995	22.4
133.10080	0.2
133.88295	0.2
139.42749	0.2
143.01054	0.3
166.02634	0.1
181.66310	0.1
184.07326	100.0
185.07666	0.4
191.17690	0.2
214.09274	0.1
258.10962	0.2
259.09479	0.2
291.19528	0.2
355.15457	0.2
356.15573	0.3
401.06516	0.2
404.90289	0.2
502.77402	0.2
530.28485	0.9
547.50299	0.2
548.22595	0.3
548.29718	4.2
565.90814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01862	0.7
55.05493	1.7
56.05028	0.6
56.96553	1.7
57.03423	1.0
57.21833	0.5
59.43501	0.5
61.02906	1.3
65.03922	0.9
67.01866	0.6
67.05486	1.6
68.99792	0.8
69.03072	0.9
69.03426	11.8
69.07055	1.6
69.50352	2.4
69.50789	1.8
70.06581	4.9
71.04979	2.0
72.08135	1.4
73.02921	0.9
74.06047	0.6
79.05466	1.1
80.05038	0.5
81.03413	17.4
81.07043	1.8
83.04952	1.0
84.08131	2.8
85.02901	9.5
86.09672	2.7
91.05453	2.1
93.03405	0.5
93.07027	1.8
95.04947	2.1
95.08585	1.6
97.02883	12.1
97.06503	2.9
98.97565	0.6
99.04463	2.8
105.07008	1.9
107.04924	0.9
107.08572	1.6
109.02116	1.2
109.02872	23.8
109.10143	1.6
110.07126	0.5
111.00814	1.1
111.04391	0.9
111.08026	0.6
115.03910	1.1
116.10781	0.6
116.98607	0.5
117.07027	0.6
119.04911	0.6
119.08585	1.1
119.15941	0.5
120.08092	1.9
121.02867	1.3
121.06529	0.8
121.10088	1.0
123.04470	0.5
123.08041	0.9
127.02963	0.7
127.03905	13.0
129.01776	0.6
129.10234	0.8
131.08533	0.6
133.02844	0.6
133.06499	0.6
133.10124	1.0
135.08076	1.0
136.07616	0.8
137.02318	3.8
137.05934	1.8
137.09618	1.3
139.03883	1.7
145.04933	1.5
145.10059	0.8
147.04427	0.6
147.11778	0.5
149.13206	0.5
153.01813	4.2
157.10057	0.7
159.08038	0.8
163.03888	2.9
165.01823	2.7
165.09077	0.5
166.92484	0.5
167.07031	0.8
169.04939	2.2
173.02301	0.8
173.05904	0.8
177.05478	0.7
183.02885	1.2
187.05994	9.2
187.07617	0.5
189.09122	0.6
189.12764	0.7
191.01306	0.5
191.03325	0.5
201.05435	1.8
215.06982	1.8
228.04195	0.7
229.04929	5.9
229.07024	1.5
247.05986	0.9
247.08255	0.8
257.04492	3.5
259.09521	1.2
273.03833	0.7
274.04565	0.8
275.05542	0.6
276.90875	0.6
285.03903	1.2
287.05484	1.8
302.04169	0.9
303.04974	100.0
304.05307	0.8
314.72733	0.5
317.06491	1.0
331.04306	0.8
333.06604	0.6
355.08115	0.6
399.10550	0.7
489.10504	1.3
505.21252	0.9
507.12106	1.6
548.34186	0.9
549.20642	2.1
555.61206	0.5
565.63287	0.5
566.90942	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	548.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
54.30898	0.3
55.01858	0.6
55.05499	1.4
55.74933	0.3
56.05024	0.7
57.03424	0.5
60.08162	6.0
60.49419	0.3
61.02911	0.4
65.03928	0.3
67.05215	0.3
67.05505	3.0
68.05827	0.6
69.03418	0.4
69.07052	1.1
69.42448	2.6
70.06573	0.5
71.07370	3.2
75.75369	0.3
79.05471	1.6
81.03423	1.5
81.07044	2.3
83.04977	0.4
83.08604	0.7
85.02877	0.7
86.09703	32.3
91.05484	1.4
93.07054	1.5
95.04949	1.7
95.08589	0.9
96.05276	0.3
97.02872	0.5
97.06522	3.1
97.10198	0.6
98.06868	0.7
98.98457	3.4
99.92918	0.3
103.05470	0.3
103.58765	0.3
104.10732	3.7
105.06994	1.2
107.04949	0.4
107.08572	0.8
109.02834	0.5
109.06544	0.3
109.10146	1.5
110.10509	0.7
116.37309	0.3
117.06987	0.5
118.13855	0.4
119.08550	0.9
121.06511	0.3
125.00002	23.0
125.09598	0.4
129.06993	0.4
133.06477	0.3
141.97723	0.3
143.01059	0.5
149.09613	0.4
161.05911	0.3
163.11162	0.3
171.07913	0.4
173.05937	0.3
184.07333	100.0
185.07648	0.5
189.05412	0.8
190.05789	0.5
211.13293	0.5
213.09010	0.6
229.14331	0.7
242.09070	0.4
253.49011	0.3
267.15897	0.5
274.15219	0.3
276.90805	0.4
301.14291	0.9
302.14636	1.4
310.15311	0.5
312.12741	0.3
327.15784	0.5
328.16254	0.6
331.04474	0.8
345.06049	0.6
355.15219	0.6
356.15756	2.0
373.16428	0.3
374.16684	0.5
376.18350	0.4
480.24188	0.3
512.30377	0.5
529.77228	0.3
530.28540	1.8
548.21973	0.8
548.29614	6.2
565.90991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01856	0.3
55.05508	0.4
56.05025	0.9
58.06584	0.4
60.04504	0.4
63.02379	0.3
65.03923	0.3
68.07990	0.2
69.03435	1.5
69.07059	0.3
70.06196	0.4
70.06584	5.9
71.04996	0.6
71.06911	0.3
72.08154	2.6
73.02933	0.3
74.06079	0.4
78.04694	0.4
79.05469	0.3
81.03408	4.1
81.07027	0.3
84.04494	1.2
84.08137	3.3
85.02887	2.1
86.09701	2.5
87.10001	0.3
88.04036	0.3
89.03902	5.4
91.05467	1.5
93.06997	0.4
95.04958	2.1
97.02873	0.5
97.06488	0.4
98.20753	0.5
99.04466	0.4
102.05532	0.6
103.05434	0.8
105.07004	0.3
106.04157	0.3
107.04971	0.4
109.02870	1.1
110.07160	1.3
110.42548	0.3
111.85435	0.2
116.07037	0.4
117.03370	16.4
119.04942	4.4
120.08065	0.7
121.06489	0.9
123.04417	8.4
123.05315	0.5
126.28288	0.2
127.03890	0.7
129.10228	1.8
131.04852	0.2
134.03639	1.4
135.04390	1.5
136.07565	0.8
137.05873	0.6
145.02831	47.0
146.03561	0.5
147.03339	0.4
147.04405	3.6
149.05962	5.8
149.08345	0.8
159.49832	0.2
162.03163	0.4
163.03926	1.5
164.10704	7.1
165.05461	8.0
177.05450	100.0
178.06186	1.3
186.05467	1.1
195.06537	0.4
207.13849	0.4
210.11232	34.6
229.15430	0.3
234.89854	0.4
256.12756	0.3
274.13663	0.3
276.90912	0.8
288.06244	0.3
303.04352	0.3
318.92068	0.4
321.09674	5.3
324.09729	0.3
331.92685	0.3
339.10764	4.0
357.09656	0.6
372.16452	1.5
373.13754	0.7
502.20901	1.3
548.20752	6.4
565.91113	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	547.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90572	1.9
53.03940	5.5
55.01871	4.6
55.05508	38.9
57.03431	15.8
57.07066	7.0
65.03934	3.3
67.05500	79.2
69.03428	4.9
69.07060	37.9
69.07407	3.3
69.88400	1.9
70.14232	9.2
71.05001	6.0
71.08604	5.0
79.05491	46.1
81.02970	3.2
81.03418	39.2
81.07052	78.9
82.07366	2.8
83.04976	5.7
83.08610	33.2
84.54921	2.2
85.06542	3.6
85.10191	2.7
88.26993	2.2
89.06034	4.2
91.04958	1.6
91.05473	43.9
93.07039	48.6
95.04959	36.2
95.08601	53.4
96.79884	2.0
97.06535	10.6
97.10157	21.5
100.43198	1.9
103.05428	3.0
105.07020	36.0
107.04942	12.6
107.08594	30.6
108.34402	1.9
109.06506	7.8
109.10152	25.3
111.08082	5.4
117.07011	9.2
119.08569	31.2
119.09325	2.3
121.06493	13.0
121.10146	21.5
123.04427	2.6
123.08051	5.3
123.11691	10.0
125.09605	12.0
129.06979	10.2
131.08585	18.2
133.06519	4.5
133.10091	18.7
135.08076	7.0
135.11713	12.9
137.09622	2.6
137.13237	2.7
140.20169	2.0
142.07861	2.4
143.08626	6.0
145.10109	12.4
147.08092	4.3
147.11691	13.0
149.09650	5.9
149.13313	7.4
153.09193	2.7
155.08609	3.2
157.10153	8.0
158.21887	2.1
159.11743	5.8
161.09686	2.5
161.13303	6.5
163.11238	6.8
163.14824	2.8
165.12775	3.6
169.10152	3.1
171.11694	5.2
173.13309	4.9
174.31836	2.2
175.11197	4.4
175.14873	6.3
177.12788	4.1
183.11703	2.6
185.13300	3.2
187.11328	2.2
187.14830	2.8
189.11266	8.7
189.16394	3.4
193.12228	18.5
193.13655	2.0
197.13338	2.8
199.14842	2.3
201.16356	2.7
227.12727	11.2
228.13184	3.9
241.17989	3.5
249.14877	3.5
263.23764	6.0
267.15869	40.6
275.20245	5.2
287.20151	2.5
287.23624	4.5
289.21603	4.7
291.19644	2.3
303.23718	3.6
303.26678	13.4
305.25067	2.4
329.21048	3.0
337.27359	33.4
343.26630	2.6
435.27307	3.1
437.34387	9.2
455.35156	23.0
473.36182	19.8
511.37738	3.2
529.38837	65.6
547.39960	100.0
572.63629	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	547.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.2
55.01867	2.8
55.05504	18.0
57.03440	2.5
57.07069	31.1
57.99167	1.2
65.03940	3.8
67.05501	48.5
69.07061	16.7
70.00524	7.4
71.01332	2.0
71.04974	5.2
71.08627	21.2
76.80615	1.6
79.05492	26.2
81.03409	29.5
81.07047	46.0
83.04980	3.7
83.08607	17.3
85.02905	5.7
85.06515	1.9
85.10175	9.8
91.05472	20.3
93.07038	21.0
95.04968	39.7
95.08598	40.5
95.19185	1.4
97.06517	2.4
97.10178	7.4
98.20737	1.6
99.08038	1.3
105.07022	17.2
107.04984	9.4
107.08581	12.7
109.02888	4.5
109.06531	3.4
109.10150	16.7
111.04420	2.1
111.08074	4.8
117.06988	8.9
119.08572	14.9
121.06503	4.2
121.10126	10.4
123.04424	27.9
123.11671	7.0
125.09635	2.5
128.06241	2.2
129.06993	4.9
131.04965	1.5
131.08565	6.2
133.06445	1.6
133.10100	8.9
135.11673	8.5
137.13237	2.2
142.07787	1.8
143.08531	2.6
143.70810	1.6
145.06490	1.8
145.10100	13.3
147.08028	4.5
147.11656	8.2
149.09616	4.0
151.11156	1.5
153.09132	2.4
157.10138	3.8
161.13232	3.4
163.11208	11.5
165.12822	2.0
171.11665	2.7
173.09616	3.8
173.13228	1.4
175.11186	2.5
175.14833	2.5
175.16406	1.9
185.13283	1.6
189.12756	5.7
191.10683	4.0
193.12215	11.8
207.13832	5.0
211.13228	11.7
217.12201	5.3
235.13280	38.8
239.23677	4.7
263.23663	1.9
267.15933	4.0
268.98502	1.4
273.14780	2.6
291.15790	1.8
307.36371	1.4
455.35379	2.4
515.37061	4.5
529.38971	8.2
547.40204	100.0
548.40466	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	547.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
53.56264	2.4
54.24187	2.6
55.01874	4.9
55.05257	3.6
55.05507	48.0
57.03444	13.5
57.03661	2.3
57.07083	13.8
59.51960	2.3
62.73098	2.9
65.03936	4.9
67.05499	100.0
69.03454	2.7
69.07061	34.8
69.29882	23.6
70.89751	2.9
71.04991	19.8
71.08620	7.1
79.05048	5.5
79.05488	62.0
81.03411	38.0
81.07055	88.6
83.04994	12.1
83.08606	31.7
85.06528	4.2
85.10214	4.0
85.88734	2.6
91.05476	54.0
93.07039	66.6
95.04963	33.9
95.08595	69.2
95.09155	5.3
97.06522	8.6
97.10168	22.3
99.08099	7.0
105.07034	36.8
107.04971	14.1
107.08588	42.4
109.06509	11.2
109.10144	43.5
111.08080	4.9
117.06332	2.5
117.07032	18.0
119.08562	34.5
121.06493	8.8
121.10133	28.2
123.08092	3.4
123.11710	7.8
125.09625	9.5
129.06998	7.0
131.08556	18.3
133.10130	15.9
135.08046	5.9
135.11690	30.0
137.09628	11.0
137.13242	3.9
143.08601	8.9
145.10126	23.1
147.08070	4.0
147.11719	11.2
149.09605	3.2
149.13222	9.1
155.08496	2.7
157.10106	14.6
159.11665	8.1
159.19757	2.6
161.13266	9.9
163.11169	20.6
163.14825	4.3
165.12776	2.7
169.10184	4.4
169.12236	2.5
171.11719	7.8
173.13283	9.4
175.11163	4.6
175.14876	3.3
177.16229	2.5
181.12257	4.4
185.13269	5.1
187.14821	3.8
189.11201	5.6
189.16394	2.9
193.12268	10.6
195.11667	3.6
199.14784	3.7
200.14214	2.7
227.12773	37.1
245.22707	3.7
263.23639	8.2
267.15900	32.4
293.16202	2.8
303.26855	10.8
308.14429	2.8
337.27347	29.0
361.27478	4.6
437.34354	4.4
455.35065	18.5
473.36377	12.8
503.36932	7.4
529.38812	54.2
547.40131	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.01870	3.7
55.05510	31.4
57.03436	7.9
57.07069	9.9
59.83694	1.4
62.06601	1.2
64.47266	1.2
65.03947	4.5
67.05500	72.8
69.03442	2.8
69.07056	24.0
69.26758	14.6
69.27162	2.1
71.04994	5.9
71.08630	5.1
79.05488	43.8
81.03416	41.4
81.07050	76.2
83.04978	10.3
83.08611	25.1
85.02896	13.0
85.06539	3.2
91.05482	32.1
93.07038	38.1
93.07615	2.1
93.42904	1.2
93.93398	1.4
95.04954	34.0
95.08597	47.2
97.06512	7.5
97.10168	11.5
99.08112	2.8
105.07024	27.7
107.04968	4.7
107.08586	20.8
109.02891	2.2
109.06535	5.7
109.10141	24.9
111.04437	1.4
111.08079	8.9
111.56719	1.6
117.06997	6.7
119.08582	24.3
121.06528	2.9
121.10136	22.3
123.04459	5.3
123.08092	4.0
123.11720	9.0
125.09665	6.5
128.06279	2.0
129.07025	5.9
131.08562	12.8
133.06516	2.0
133.10126	16.4
135.08092	2.4
135.11639	8.4
137.09637	2.7
137.13289	2.8
142.07764	2.7
143.08621	4.8
145.10098	9.4
147.08157	1.9
147.11664	12.6
149.09656	4.3
149.13324	3.2
151.11212	2.5
157.10139	9.4
159.11728	4.1
161.09625	1.7
161.13332	4.4
163.11252	3.9
165.12863	2.8
171.11717	3.1
173.09660	1.8
173.13277	2.2
175.11209	9.0
175.14850	3.1
177.16365	1.7
179.14262	1.4
187.14928	2.3
189.11209	2.7
189.12805	2.6
189.16324	2.0
193.12236	28.9
193.13853	2.4
209.50952	1.4
211.13275	29.7
227.13002	1.6
235.11238	1.8
235.13364	5.7
245.22682	2.1
261.22052	2.2
263.23840	3.6
265.22189	1.5
267.15924	10.5
303.26990	5.3
319.26239	2.0
337.27399	10.5
437.34186	4.2
440.18674	1.4
455.35223	8.4
473.36115	5.0
519.00494	1.9
529.38879	24.8
547.39880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01862	1.4
55.05495	2.2
56.96564	0.8
57.03424	1.4
57.07066	0.7
61.02916	0.7
65.03924	0.9
67.05505	5.7
69.03416	2.4
69.07067	3.0
70.06594	4.1
71.04981	1.5
71.60034	0.8
72.08150	1.6
79.05489	3.2
81.03413	1.5
81.07049	2.8
83.04966	1.8
84.08121	1.8
85.02896	2.8
85.06503	0.9
86.09682	2.0
91.05467	2.0
93.03394	0.6
93.07037	1.8
95.04962	9.0
95.08601	2.3
97.02881	2.2
97.06528	11.5
99.04437	0.9
103.05487	0.8
105.07024	2.1
107.08585	1.5
109.02881	1.2
109.10157	2.0
111.04451	1.8
111.08076	0.9
112.37981	0.5
112.61571	0.5
119.08583	1.6
120.08087	0.6
121.02822	0.8
121.10153	1.1
127.03894	1.6
128.06244	0.7
129.06979	1.0
129.10228	1.3
131.08560	0.8
133.06563	0.6
133.10103	1.2
135.08084	0.7
135.11681	0.9
137.05984	1.4
137.09570	0.6
141.06970	0.9
145.10136	1.4
147.04379	0.9
147.11667	0.7
149.02347	8.6
151.03813	0.7
152.79973	0.5
153.06914	0.6
155.08549	0.7
157.10078	0.8
159.08029	1.0
159.11739	0.7
161.05974	0.7
163.03935	1.3
165.06973	0.7
167.08533	1.2
169.06512	0.6
169.10123	0.5
171.08023	0.9
173.02342	0.8
175.07526	0.8
183.08186	0.8
185.09598	1.6
185.82494	0.6
187.07527	0.9
189.09088	0.8
195.08090	1.2
195.11711	0.7
197.05954	1.1
199.07607	1.1
201.09077	0.9
207.08237	0.6
209.09637	1.0
211.07590	1.2
212.08357	1.9
213.09155	2.0
214.06334	0.5
215.07039	3.8
216.07477	0.9
217.08643	0.9
221.09650	0.6
223.07626	0.8
223.09555	0.7
225.09030	1.1
226.06195	0.5
226.09885	0.9
227.10669	1.0
229.08647	0.7
237.09041	1.3
239.10785	0.7
241.08653	1.4
241.12238	4.2
243.10275	0.6
251.10841	0.6
255.10379	0.7
255.13837	0.7
259.09680	3.3
260.10095	1.1
265.12262	2.8
267.13821	1.6
269.11768	1.0
276.90988	1.0
281.15302	0.8
283.13223	1.7
285.14774	0.9
291.13614	1.2
293.11707	1.1
301.14359	0.9
309.14822	4.2
311.12805	6.5
311.16232	1.0
313.14334	1.5
325.14395	0.7
327.15726	2.6
329.13885	2.7
337.14343	3.3
341.09778	0.6
349.23892	0.6
355.15363	13.1
356.15662	0.8
373.16501	3.0
385.13043	0.7
385.28769	0.6
529.20789	1.2
547.21185	4.8
547.34521	100.0
548.34912	2.0
565.91064	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	546.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05506	6.1
57.03428	4.2
57.07071	1.6
60.90613	1.0
66.27932	1.0
67.05497	14.0
69.07056	10.4
71.04959	1.7
71.08630	6.2
71.60828	1.4
79.05479	9.0
81.03417	1.5
81.07050	16.2
83.04958	1.7
83.08613	4.2
91.05470	8.1
92.05779	1.5
93.07042	10.4
93.60497	1.1
95.04965	2.0
95.08588	13.2
97.06516	3.9
97.10175	2.7
98.98468	3.1
99.08094	2.1
104.10735	2.2
105.07006	10.0
105.11037	1.1
107.04935	1.8
107.08570	9.3
109.06510	9.1
109.10148	6.7
110.10519	1.0
111.08066	1.6
117.70968	1.0
119.08570	11.7
121.06516	1.4
121.10118	4.9
123.08051	15.7
123.11717	2.3
125.09618	2.1
131.08589	3.1
132.82376	1.2
133.10126	9.6
135.08020	8.1
135.11685	2.7
137.09587	1.4
145.10124	4.5
147.11670	6.2
149.09596	1.6
149.13216	2.2
159.11697	3.4
161.09639	2.0
161.13234	2.2
163.11134	2.2
165.12744	1.3
167.14258	1.6
171.11652	1.0
175.11264	1.3
175.14786	8.3
176.90862	1.1
177.12718	3.4
179.14278	24.0
184.07283	2.4
185.07587	1.4
190.96350	1.8
193.15883	1.3
205.15854	4.9
213.16405	1.7
216.06233	1.3
231.15918	1.3
239.65816	1.1
249.96770	1.2
268.75943	1.2
275.19958	1.5
289.21600	8.8
293.21112	2.2
303.27020	1.4
331.26212	11.8
349.27393	5.7
369.27850	1.5
374.30466	2.6
375.28781	2.3
387.28925	6.6
397.22632	1.2
405.29962	100.0
406.30670	1.5
472.18546	2.2
485.26334	1.6
503.27621	6.2
528.37610	2.5
546.39075	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	546.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29641	1.0
53.03939	1.9
55.01875	2.5
55.05504	9.4
57.03431	5.2
57.07062	3.0
59.86324	0.9
67.05498	15.1
69.03411	1.1
69.07064	9.3
69.63269	5.1
71.04979	2.0
71.08630	4.7
79.05490	9.1
81.03415	2.0
81.07047	19.0
83.04967	2.4
83.08611	5.1
85.02892	2.1
91.05471	8.8
93.07028	12.2
95.04950	2.5
95.08594	12.3
97.06527	4.3
97.10182	2.4
98.98450	3.3
99.08068	3.1
105.07024	10.3
105.30927	0.9
107.04927	1.9
107.08578	11.0
109.06502	9.8
109.10136	6.0
111.08076	2.5
117.06993	1.4
119.08559	11.3
121.06480	1.7
121.10126	5.9
123.08047	14.8
123.11677	1.8
125.09621	2.1
129.07007	1.7
131.08554	4.3
133.10110	10.5
135.08047	8.1
135.11659	3.9
137.09576	1.0
137.13258	1.2
143.08609	1.8
145.10078	5.0
147.08046	1.1
147.11676	7.3
149.09575	2.1
149.13232	2.9
151.38615	1.0
157.10135	2.5
159.11685	2.7
161.09560	1.8
161.13277	1.9
163.11168	2.2
165.12660	2.0
171.11641	1.4
173.09604	1.0
173.11757	1.5
173.13191	1.1
175.11179	2.2
175.14777	6.6
177.12733	4.3
179.14285	22.6
191.14291	1.6
193.12172	1.6
193.15999	1.6
205.15854	3.1
216.06300	1.3
229.14182	1.5
229.68483	1.1
231.15829	1.1
255.16031	1.4
263.20065	1.8
267.15887	1.6
275.20013	1.5
281.13702	0.9
285.17209	1.1
289.21585	7.8
293.21088	2.5
303.26740	1.4
319.22629	1.5
331.26266	12.3
337.23593	0.9
347.25613	1.4
349.27512	6.7
359.29556	1.7
369.28021	1.0
374.30457	2.3
375.28806	1.7
387.29007	6.3
405.29953	100.0
406.30197	1.7
485.26447	1.1
503.27542	5.5
514.69104	1.3
546.31219	1.8
546.38708	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01845	9.1
55.05505	45.3
56.91422	3.8
56.96554	4.2
57.03420	14.4
57.07064	6.0
61.02916	5.0
65.66521	3.2
67.05170	6.2
67.05501	90.7
68.35638	3.4
69.03440	8.7
69.07066	28.8
70.11503	14.2
71.04980	7.2
71.08612	5.8
73.02914	3.5
79.05488	55.8
81.03415	25.4
81.06580	5.3
81.07053	90.8
83.04951	10.1
83.08604	30.5
84.08136	3.9
85.02901	7.3
88.51756	3.3
91.03899	3.7
91.05466	54.2
93.07045	57.4
95.04959	24.4
95.08049	4.1
95.08601	48.2
97.02862	4.7
97.06499	9.3
97.10126	23.4
97.61791	3.2
105.07016	48.6
107.04967	9.9
107.08583	30.7
109.06535	8.8
109.10135	35.3
111.08085	5.2
115.05437	4.0
117.07008	23.2
119.08572	39.1
121.06497	9.8
121.10139	19.6
123.08054	9.9
123.11670	6.4
125.09613	16.8
129.06993	16.7
131.08549	38.2
133.06468	3.7
133.10133	29.4
135.08049	11.0
135.11658	9.7
137.09605	5.8
141.06978	4.2
143.08582	16.8
145.10129	22.5
147.07979	5.1
147.11636	18.3
149.09618	7.5
149.13258	9.1
151.11229	4.9
155.08466	6.3
157.10146	23.4
159.08069	6.3
159.11685	15.7
161.09666	6.5
161.13217	8.2
163.11143	11.3
163.14886	4.7
165.12823	5.1
169.10107	9.4
171.11670	8.5
173.11801	4.4
173.13255	10.8
175.14786	5.5
175.84784	4.6
177.12610	5.0
179.14297	4.9
183.11717	12.2
185.13313	8.5
187.14812	5.5
189.11156	7.3
193.12198	8.7
195.11673	4.4
197.13271	6.7
199.14822	7.9
200.94527	3.4
209.13300	4.7
227.12721	13.9
243.21130	8.3
253.14307	4.0
261.22031	10.0
267.15790	19.5
274.04391	4.1
275.20084	8.4
285.22104	5.9
301.25156	20.9
335.25671	8.1
366.40155	3.6
377.01862	6.6
405.30161	4.7
435.32666	14.6
438.28030	4.7
453.33542	22.5
471.34476	10.3
509.36194	6.1
527.37372	65.7
545.30469	6.0
545.38440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16834	1.3
53.03936	6.3
55.01863	6.2
55.05506	35.1
57.03439	12.6
57.07066	2.7
59.04989	1.6
65.03932	4.7
67.05499	73.1
69.03415	5.3
69.07059	18.3
70.85646	2.2
70.85993	3.0
71.04982	5.0
77.03896	1.5
79.05486	60.3
81.03411	37.0
81.07052	71.4
83.04994	8.8
83.08615	25.3
85.02911	11.7
85.06525	3.9
86.09705	2.4
91.05473	44.5
93.07038	59.6
95.04959	27.7
95.08599	45.5
96.65210	1.3
97.06516	7.0
97.10169	19.9
101.74297	1.3
104.10755	3.3
105.07022	38.2
107.04965	5.5
107.08585	32.6
109.06516	7.1
109.10136	26.1
111.08087	8.5
115.05482	1.8
117.07008	12.2
119.08580	34.9
121.06503	3.9
121.10136	23.8
121.65995	1.4
123.08046	7.6
123.11680	7.4
125.09639	14.0
128.06177	1.2
129.07010	11.8
131.08554	24.1
133.06480	2.9
133.10107	21.5
135.08067	7.5
135.11693	12.8
137.09595	3.4
139.11128	1.6
142.07756	3.6
143.08524	8.6
145.10095	18.9
147.08133	2.1
147.11667	17.9
149.09619	6.1
149.13264	7.7
151.11121	2.8
155.08540	4.3
157.10143	10.9
159.07979	1.6
159.11665	12.1
161.09592	3.8
161.13232	8.8
163.11172	3.3
163.14821	2.5
165.12892	2.0
169.10138	4.8
171.11638	7.2
173.09578	2.2
173.13248	9.0
175.11145	6.5
175.14803	4.3
177.12669	1.9
179.14278	2.6
183.11697	3.4
184.07228	2.7
185.13278	4.7
187.14888	3.9
189.11246	9.8
189.16360	1.8
193.12209	27.5
195.11713	2.1
199.14893	3.9
201.16405	2.9
209.13260	2.0
211.13237	24.3
211.14931	2.7
212.20537	1.6
227.12717	9.9
247.17055	1.6
254.90819	1.5
257.22925	1.4
259.20343	1.5
261.19510	1.7
261.22156	11.6
267.15915	16.0
273.18604	1.8
275.20187	1.6
277.21600	2.8
279.23419	2.4
281.21378	1.6
285.22168	4.5
287.20108	1.4
299.23651	1.7
301.25198	14.4
303.23096	3.7
310.84930	1.6
317.24640	1.9
335.25885	12.3
417.31467	4.3
421.26108	2.6
435.27289	2.8
435.32620	7.6
453.33542	13.9
471.34808	8.2
509.36374	2.0
527.37292	44.4
528.37878	1.9
545.38330	100.0
546.38898	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
53.95839	1.4
55.01857	3.6
55.05508	26.5
57.03194	1.3
57.03437	9.8
57.07063	3.6
62.97876	1.3
65.03928	4.1
67.05499	69.8
69.03432	3.3
69.06783	1.3
69.07070	16.3
70.86636	2.3
70.86962	1.4
71.04998	7.1
71.08628	2.2
73.95789	1.3
79.05488	61.4
81.03413	43.4
81.07053	66.3
83.04980	10.0
83.08610	21.9
85.02902	20.9
85.06541	3.2
89.89227	1.3
91.05476	50.4
93.07039	60.1
95.04966	26.3
95.08604	39.5
97.02917	2.6
97.06518	5.9
97.10149	8.8
98.20858	1.4
99.08050	1.7
100.72000	1.3
105.07028	38.3
107.04966	6.7
107.08591	33.3
109.06494	6.7
109.10143	13.9
111.04418	2.7
111.08067	7.3
115.05487	1.8
116.06258	1.7
117.07025	12.2
119.08574	28.7
121.06501	3.3
121.10134	27.3
121.10995	1.9
123.08077	3.3
123.11718	5.3
125.09613	6.6
128.06187	2.1
129.07004	9.1
130.33585	1.4
131.08571	18.5
132.39612	1.4
133.06503	3.1
133.10120	17.7
135.08044	3.1
135.11682	10.3
137.09666	2.1
142.07713	2.2
143.08569	5.2
145.10106	10.3
147.08041	3.1
147.11684	14.1
149.09612	3.9
149.13292	6.8
151.11162	1.9
155.08591	2.8
157.10118	13.6
159.08078	1.5
159.11723	7.4
161.13257	5.2
163.11241	2.0
165.12770	3.5
169.10104	2.1
171.11769	2.1
173.13268	5.1
175.11156	9.8
181.10104	1.6
185.13199	2.6
187.14848	3.8
189.11194	3.7
189.12778	1.7
193.12239	39.6
197.13257	3.4
201.16452	1.7
211.13260	44.2
227.12816	4.5
259.20712	1.6
261.22153	8.8
267.15854	7.8
269.17548	1.6
301.25262	6.8
317.24847	1.7
335.25772	4.7
357.28436	1.5
417.31589	1.8
432.79456	1.5
435.32541	5.1
453.33597	6.1
471.34900	4.9
527.37317	24.7
545.38342	100.0
546.38513	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	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90334	1.5
51.71883	1.8
53.03930	4.3
55.01863	7.2
55.05255	3.0
55.05507	41.6
55.98069	1.9
57.03425	8.1
57.07072	4.8
59.04985	2.2
64.01852	1.6
65.03927	3.3
67.05502	75.7
69.03404	5.0
69.07063	21.0
71.04988	5.2
71.22242	5.2
72.63013	1.7
77.29673	1.8
79.05054	3.9
79.05489	48.4
81.03413	24.1
81.07054	71.8
83.04963	8.0
83.08614	26.1
85.02881	2.0
85.06550	4.3
91.05475	38.4
93.07034	43.7
95.04965	23.9
95.08601	44.3
97.06510	6.7
97.10155	28.2
101.09675	1.7
102.58853	1.9
105.07021	36.6
107.04942	9.8
107.08588	37.2
109.06522	8.3
109.10155	28.4
111.08081	7.0
116.40377	2.0
117.07005	17.2
119.08574	29.1
121.06486	11.3
121.10137	22.5
123.08070	6.3
123.11692	11.7
124.44621	1.7
125.09599	20.4
129.06996	11.1
131.08556	25.4
133.06532	3.2
133.10124	25.0
135.08075	7.0
135.11685	16.7
137.09628	4.3
137.13229	2.8
141.06935	2.9
143.08560	12.4
145.06517	3.2
145.10106	23.3
147.08069	6.1
147.11649	16.1
149.09615	5.3
149.13264	7.7
155.08548	4.3
157.10141	11.8
159.08035	2.9
159.11667	14.5
161.09608	2.9
161.13239	10.0
163.11189	5.3
163.14897	3.4
165.12755	1.7
169.10109	5.0
171.11711	7.9
173.09616	2.4
173.13225	11.9
175.11188	2.8
175.14795	6.2
177.12729	2.7
183.11705	4.9
185.13261	4.2
187.11113	2.3
187.13359	2.1
187.14682	9.0
189.11237	10.6
189.12709	2.0
189.16466	2.4
193.12189	10.3
197.13304	4.5
199.14946	3.9
201.16412	2.5
203.14246	2.0
211.15054	2.1
227.12683	17.1
233.15277	2.2
243.21167	2.7
247.16925	3.2
261.22153	11.6
261.86777	1.9
267.15927	21.5
279.23242	2.9
285.22107	5.7
299.23529	4.0
301.25244	24.1
303.23123	3.9
317.25021	2.4
335.25693	16.9
341.24658	2.1
359.25739	4.3
421.25931	4.3
435.27283	4.1
435.32626	8.7
453.33676	16.7
471.34830	16.8
509.36459	2.8
527.37311	63.5
545.38379	100.0
546.38800	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.9
53.03946	4.5
55.01866	6.9
55.05510	41.5
57.03170	1.8
57.03432	10.7
57.07068	7.8
64.70443	1.7
65.03931	2.8
66.02592	1.8
66.02955	1.8
67.05500	73.1
68.85593	1.8
69.03426	6.1
69.07059	24.0
69.56697	6.0
69.57119	10.2
71.04998	4.2
79.05486	47.7
81.03401	25.5
81.03770	1.9
81.07050	70.8
83.04977	8.0
83.08616	27.3
85.02902	2.3
85.06554	3.3
86.09702	2.9
87.71203	1.8
91.05476	45.6
93.07040	49.4
95.04960	22.6
95.08604	47.6
97.06518	9.5
97.10171	27.2
99.13762	2.1
103.05413	2.5
105.07023	34.9
107.04956	8.8
107.08588	28.1
109.06544	6.3
109.10151	26.3
111.08078	4.7
115.05459	2.3
117.07020	16.5
119.08578	31.2
121.06467	9.2
121.10135	21.4
123.08072	8.4
123.11688	10.2
125.09610	18.2
125.89660	1.8
128.06186	1.8
129.07022	12.0
130.07788	1.9
131.08551	28.7
132.32175	2.0
133.06505	4.9
133.10124	23.9
135.08047	7.3
135.11685	17.1
137.09639	4.2
141.07001	2.7
143.08563	10.6
145.06468	3.2
145.08986	3.1
145.10109	24.5
146.98178	6.1
147.08051	4.7
147.11688	17.1
149.09653	5.2
149.13290	7.5
151.11238	2.6
153.09129	3.1
155.08562	5.3
157.10101	11.0
159.11707	17.6
160.36578	1.8
161.09705	2.3
161.13316	7.4
163.11264	4.7
163.14839	4.2
165.12814	2.5
169.10176	4.1
171.11700	6.8
173.13231	12.5
175.11174	3.9
175.14867	5.8
183.01952	1.8
183.11732	5.4
185.13248	6.5
187.11288	2.7
187.14857	7.6
189.11200	11.4
193.12277	6.6
197.13345	3.7
199.14780	4.7
201.16399	2.8
211.14932	3.1
227.12767	19.3
233.15550	2.0
235.17110	2.3
243.16029	2.7
243.21263	2.0
247.17046	2.8
261.22086	12.8
267.15881	22.8
271.20605	1.9
277.21829	3.4
279.23270	3.0
285.22180	6.3
287.20169	3.0
295.22540	1.9
299.23795	3.7
301.22098	4.1
301.25208	23.4
303.23499	2.9
317.24756	2.4
329.21371	2.4
335.25790	15.7
359.25745	2.4
373.27197	2.3
402.94400	2.0
417.31479	3.6
421.26050	3.6
435.27438	4.2
435.32819	7.7
453.33597	16.3
471.35001	10.2
486.27078	6.2
509.36481	3.2
527.37250	65.6
545.38391	100.0
546.38446	3.9
570.00970	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	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16332	1.2
53.03934	4.4
53.62379	1.4
55.01867	5.7
55.05509	33.1
57.03429	9.0
57.07072	4.1
58.25214	1.4
65.03930	3.3
67.05500	63.3
69.03429	5.2
69.07063	16.5
70.74007	2.7
70.74374	2.9
71.04987	3.7
77.07505	1.5
79.05487	44.3
81.03409	23.0
81.07051	60.7
82.22745	1.4
83.04971	7.4
83.08618	18.9
85.02920	1.8
85.06544	2.7
91.05473	40.7
93.07036	39.5
95.04966	20.5
95.08601	38.8
97.06538	4.9
97.10177	18.6
105.07024	34.0
107.04949	4.9
107.08592	29.9
109.06512	7.3
109.10148	29.0
109.10827	2.6
111.08084	4.9
117.07012	17.6
119.08572	27.1
121.06521	6.2
121.10139	20.3
122.89169	1.4
123.08094	4.5
123.11670	7.9
125.09615	17.5
128.06210	1.5
129.07008	10.1
131.08560	25.8
133.06496	3.0
133.10106	19.2
135.08075	6.5
135.11671	12.0
137.09636	3.6
137.13286	3.2
141.06976	3.7
142.07814	2.2
143.08546	9.5
145.10127	18.0
147.08092	3.9
147.11697	15.0
149.09628	5.1
149.13184	7.4
151.11226	2.2
155.08583	2.6
157.10118	9.6
159.11664	11.6
161.09636	1.7
161.13231	8.5
163.11180	3.2
163.14857	3.4
169.10167	4.4
171.10326	1.8
171.11664	7.3
173.11850	2.5
173.13200	9.5
175.11198	4.7
175.14862	4.4
177.12761	2.4
177.23036	1.4
179.14270	2.0
181.10138	2.1
183.11734	4.5
185.13281	7.3
187.14807	3.9
189.11243	11.0
189.16437	1.6
192.42506	1.5
193.12265	10.4
197.13298	2.7
199.14882	3.3
201.16429	2.0
205.12230	1.8
211.13286	3.2
213.16467	3.0
225.16437	2.1
227.12790	12.8
233.15295	2.8
243.21155	3.7
247.17123	2.0
261.18515	1.4
261.19537	1.8
261.22141	12.2
267.15933	21.0
275.20187	1.6
277.21805	2.1
281.21213	2.7
283.24033	1.7
285.22223	3.6
287.20200	1.7
299.23657	2.9
301.25247	20.4
303.23306	2.2
315.23187	1.9
317.24799	1.8
335.25769	14.3
336.05212	1.8
355.26294	1.8
359.25967	2.8
403.24777	2.0
417.31503	2.7
421.25922	4.8
435.32684	8.0
453.33423	12.7
471.34744	13.1
509.35925	3.4
527.37299	58.0
528.38043	2.2
545.38367	100.0
546.38507	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	545.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	5.2
55.01863	9.1
55.05491	20.6
56.96535	7.1
57.03427	34.9
61.01133	8.3
61.02916	6.0
64.96528	5.3
67.05498	63.9
69.03407	14.7
69.07043	20.2
70.06582	100.0
71.04992	7.0
71.06909	5.4
72.08128	9.2
79.05476	33.7
81.03404	19.6
81.07059	44.7
83.04966	13.7
83.08593	13.8
84.08128	11.1
84.34335	5.0
85.02881	17.3
85.06519	15.7
86.09705	26.8
91.05460	36.0
91.58418	6.1
93.07029	29.5
95.04958	51.1
95.08597	25.6
97.02911	6.9
97.06542	29.6
97.10139	8.4
99.08099	6.5
103.14167	6.3
105.07008	23.1
107.04923	12.1
107.08573	22.1
109.02834	6.5
109.06530	35.3
109.10155	21.0
113.05992	47.0
117.06971	10.8
118.06876	30.9
119.08582	15.8
120.08092	8.7
121.10101	15.7
123.11664	11.3
125.19823	5.8
127.03808	6.7
129.06949	6.6
130.06485	7.7
131.08549	12.4
132.10184	7.9
133.10149	10.3
135.08023	33.8
135.11707	13.0
137.13130	6.4
142.93712	5.7
143.08557	8.0
143.11734	9.2
145.10133	12.4
146.06032	8.3
149.09634	10.8
152.52344	5.8
157.10123	8.9
159.08014	7.3
159.09148	30.4
161.09613	10.8
161.13138	5.9
173.01114	6.1
188.07048	18.2
189.12431	8.5
205.09705	13.1
217.15938	10.6
273.18387	10.4
274.12186	10.8
274.91757	5.7
285.10144	8.2
291.19522	54.8
314.66666	13.7
353.13754	16.1
365.23218	73.6
373.18726	9.3
517.35980	5.4
527.28546	6.3
545.29211	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	545.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.6
53.03942	11.8
55.01859	8.6
55.05495	4.0
56.68381	0.9
57.03432	8.2
61.02920	7.2
67.05505	6.0
68.99780	4.6
69.03422	58.5
69.07050	3.5
69.57205	1.8
69.57614	6.5
70.06579	1.7
71.01350	1.2
71.04973	7.3
73.02909	9.4
79.05491	3.5
81.03409	64.5
81.07028	5.1
83.01339	2.0
83.04966	3.1
85.02895	74.9
85.06529	1.4
86.09683	1.5
87.00819	29.4
87.04441	2.0
91.03944	3.3
91.05466	3.5
93.07034	3.9
95.04936	2.9
95.08604	4.9
97.02882	35.3
97.06522	5.9
99.04442	21.2
99.08093	1.1
101.02380	1.2
101.06039	1.2
105.01852	27.3
105.07026	3.4
107.08593	4.3
109.02866	59.7
109.06499	1.5
109.10160	3.8
111.04405	1.8
115.03907	3.0
117.01836	5.3
119.08568	4.1
121.06485	1.3
121.10137	3.0
123.11658	1.6
125.09644	1.0
126.34254	1.0
127.03902	100.0
129.01842	6.7
129.05534	1.3
131.08530	1.3
132.33032	1.1
133.10127	2.5
135.08040	1.8
135.11639	1.4
137.09578	1.2
141.40619	0.9
145.04947	33.7
147.02878	6.0
147.11664	2.6
149.09555	1.4
153.01877	1.5
159.02878	33.5
159.07985	1.1
159.11639	1.9
161.09683	1.2
163.03987	1.7
163.11174	1.5
167.78131	1.1
173.13258	1.2
175.11221	1.3
177.03932	2.0
179.10654	1.3
183.08087	1.1
187.06004	3.4
188.62979	1.1
189.03877	1.0
205.15843	2.7
209.11745	1.1
213.03877	4.1
215.06819	1.2
231.04971	19.4
249.18498	5.0
259.09671	1.1
261.18381	1.4
265.17957	1.5
267.19519	56.7
279.19547	3.2
281.21060	3.9
297.20718	1.3
353.13895	2.2
365.23294	1.2
469.14771	1.2
515.24915	14.9
545.17328	1.2
545.25586	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	1.0
53.03941	4.2
55.01848	3.2
55.05505	15.2
57.03424	3.5
57.07038	2.1
59.47152	0.7
65.03911	2.7
67.05500	39.9
69.03396	3.0
69.07063	11.4
69.93169	1.7
69.93563	2.1
71.04953	3.1
71.08623	0.9
73.02882	0.9
78.02081	0.7
79.05489	43.1
81.03425	4.5
81.07052	38.2
81.53061	0.7
83.04982	4.6
83.08219	0.7
83.08616	9.7
85.06522	1.6
88.44799	0.7
91.05475	27.3
93.07037	55.1
95.04442	1.0
95.04967	11.4
95.08601	42.4
97.02859	3.1
97.06524	5.5
97.10128	3.3
99.04426	3.3
99.08052	0.8
103.05450	1.6
105.04507	0.9
105.07019	18.4
107.04944	7.3
107.08588	35.1
108.45177	0.7
109.06466	2.8
109.10139	10.2
111.04435	0.9
111.08057	2.6
115.05392	1.3
117.07006	13.6
119.08575	15.2
121.06498	4.9
121.09319	1.5
121.10137	20.8
123.08052	1.8
123.11686	2.5
125.05968	2.3
125.09592	2.1
128.06229	1.4
129.06987	3.6
130.07753	1.6
131.08571	8.9
133.10133	8.3
135.08017	2.3
135.11687	42.3
137.13245	0.9
139.07520	1.6
143.08563	3.8
145.10107	25.8
145.11259	1.3
147.08025	1.1
147.11696	3.9
149.09586	1.4
149.13219	3.1
155.08517	1.9
157.10081	3.0
159.11693	4.8
161.13206	2.7
163.11169	52.7
169.10112	1.4
171.11670	2.5
173.09627	0.8
173.13208	3.8
175.14870	0.9
177.12746	0.9
181.12213	12.1
183.11642	1.6
185.13219	1.7
187.14862	1.9
189.11209	1.6
193.12271	0.9
195.11819	0.9
197.13354	1.0
199.14726	1.8
209.11655	1.0
209.13330	1.0
227.12764	100.0
242.81247	0.8
243.21071	1.0
261.22211	5.1
275.20026	1.5
283.15775	1.1
283.20593	1.1
283.92319	0.8
299.23721	2.9
317.24866	1.2
333.24408	1.1
350.46890	0.7
423.32565	1.0
433.31140	1.5
451.32098	2.9
469.32990	1.6
521.51453	0.8
525.35938	4.7
537.92310	0.8
543.36804	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.0
52.04785	0.6
53.03910	2.6
53.04129	0.6
55.01840	2.7
55.05508	14.3
57.03404	2.7
57.07064	1.2
59.77010	0.7
64.79190	0.6
65.03918	1.5
66.54158	0.6
67.05500	36.0
69.03410	2.2
69.06729	0.7
69.07063	9.8
71.04980	3.2
73.02864	1.0
79.05485	44.2
81.03428	3.2
81.07050	35.6
81.43423	0.6
82.07381	0.8
83.04977	4.7
83.08218	0.8
83.08614	9.2
85.06521	1.9
91.05475	22.2
93.07035	55.9
95.04437	1.0
95.04961	10.9
95.08600	40.7
97.02897	3.5
97.06526	3.4
97.10123	2.1
99.04416	3.7
99.08053	0.8
101.85078	0.7
105.04453	1.0
105.06373	1.1
105.07018	13.9
107.04955	9.6
107.08591	35.7
109.06484	2.7
109.10149	6.8
111.04439	1.0
111.08141	0.9
113.05958	0.9
115.05402	1.0
117.07011	11.0
119.08568	13.6
121.06506	4.6
121.10130	19.2
123.11661	1.4
125.05965	2.8
125.09605	1.1
128.06229	0.9
129.06999	1.2
130.07730	1.6
131.08562	7.7
133.06445	0.6
133.10117	7.0
135.07991	2.0
135.11685	45.3
139.07465	1.2
141.07005	0.8
143.08493	1.8
145.10115	29.8
147.11752	3.2
149.13277	3.9
149.14316	0.8
153.12668	1.2
155.08618	0.8
157.10115	1.2
159.11620	3.5
161.13239	2.3
163.11174	53.2
173.13205	2.2
175.14783	1.0
181.12218	12.1
187.14883	1.5
190.25397	0.7
201.16386	0.7
209.11659	1.7
227.12762	100.0
229.50932	1.2
243.21075	2.0
250.54805	0.7
261.22141	5.1
275.20081	2.0
291.63123	0.6
317.24805	1.9
352.82721	0.9
433.31396	0.7
451.32333	1.1
469.33356	1.0
525.35895	1.6
543.36786	51.5
544.36963	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	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.9
55.01852	1.1
55.05505	7.7
56.05001	0.7
57.03406	1.5
57.07060	0.7
60.08162	7.7
61.08483	0.9
65.03899	0.5
67.05499	12.4
69.03401	1.0
69.07066	3.2
69.68515	3.6
71.04962	1.0
71.07365	3.5
71.08616	0.6
72.07695	0.8
72.98837	0.5
79.05487	8.7
81.03410	3.4
81.07052	10.2
83.04937	1.4
83.08627	4.1
85.06486	0.5
86.09700	32.3
87.10026	6.8
89.04249	3.3
91.05481	7.9
93.06554	0.6
93.07041	7.5
95.04964	2.7
95.08065	0.4
95.08604	6.0
97.06545	1.1
97.10160	2.8
98.20801	0.7
98.98460	3.7
99.08100	0.5
104.10730	3.6
105.07023	7.1
105.11035	0.8
107.04929	1.4
107.08590	5.4
109.06494	0.7
109.10162	4.4
111.08086	1.0
117.07012	4.7
119.08583	4.7
121.06505	1.5
121.10131	2.8
123.08046	0.6
123.11675	0.5
124.99998	25.7
125.09624	3.0
126.00320	2.3
128.06207	1.2
129.06995	3.2
131.08549	6.9
131.48201	0.4
133.06471	0.9
133.10118	3.2
135.08034	1.0
135.11656	1.8
137.09587	0.5
141.06963	1.3
142.07750	1.0
143.08549	3.4
144.09261	0.5
145.06421	1.0
145.10110	6.1
147.08014	1.0
147.11707	2.2
149.09576	0.9
149.13280	1.3
150.12230	0.5
153.09059	0.5
155.08499	1.6
157.10117	3.5
159.08008	1.4
159.11678	3.5
161.09596	0.7
161.13232	1.7
163.11163	1.1
167.08626	1.1
168.09235	0.5
169.10097	2.3
171.08008	1.3
171.10335	0.6
171.11661	2.5
173.09657	0.7
173.11816	0.9
173.13249	2.6
175.11125	0.9
179.14314	1.3
181.10049	1.4
183.11661	2.4
184.07327	100.0
185.07689	21.3
185.09464	0.7
185.13179	2.6
186.07805	0.6
189.11205	1.3
193.10223	0.5
193.12163	0.8
195.11661	1.7
197.13237	1.5
199.11153	0.9
199.14861	1.0
202.62245	0.5
209.13190	1.1
211.14911	0.6
223.14825	1.3
225.12701	0.5
225.16350	0.5
227.12833	1.5
237.16364	0.7
259.20526	0.9
271.20331	0.4
275.20145	1.0
277.21616	1.6
281.22598	0.5
283.20596	0.9
297.22064	0.8
299.23688	3.2
301.21777	0.7
325.21533	0.7
339.23367	0.7
357.24200	0.5
371.26123	0.5
372.60666	0.5
415.29895	0.7
423.32767	0.7
433.30969	2.6
435.27805	0.6
451.22360	0.5
451.31989	3.9
452.31802	0.5
469.33368	2.0
507.34720	1.3
515.37506	0.9
525.36072	7.5
543.36823	40.2
544.37488	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	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01870	2.7
55.05257	1.6
55.05508	20.2
57.03431	3.8
57.07081	1.1
59.04998	1.3
62.28412	0.8
62.60913	0.9
65.03944	2.9
67.05501	32.7
69.03419	3.0
69.07066	11.3
70.56592	1.8
70.56988	1.7
70.82113	1.0
71.04996	2.6
71.08645	1.4
72.42336	1.0
79.05486	24.6
79.05952	1.3
81.03424	7.7
81.07052	28.2
83.04974	3.1
83.08611	10.7
85.02930	1.3
85.06548	2.3
91.03956	0.8
91.05473	21.2
93.07032	18.2
95.04954	9.2
95.08604	17.6
97.06522	4.2
97.10165	10.8
99.08118	1.3
103.05470	1.1
105.07022	20.2
107.04958	3.7
107.08578	15.7
109.06522	3.5
109.10148	10.7
111.08089	1.5
115.05405	1.8
115.49030	0.8
117.07012	13.1
119.08564	15.2
121.06503	4.3
121.10128	6.9
123.08069	2.4
123.11720	2.3
125.09617	9.2
128.06236	2.3
129.06989	9.8
131.08556	17.3
133.06494	1.6
133.10129	11.0
135.08058	4.9
135.10724	0.9
135.11626	4.8
137.09627	1.8
139.11162	0.9
141.06969	3.1
142.07765	1.9
143.08559	11.0
145.06476	3.7
145.10107	14.1
146.97458	1.5
147.08055	2.3
147.11678	6.5
149.09618	2.7
149.13286	2.1
151.11145	1.1
153.07104	1.1
153.09207	1.0
155.08565	5.5
157.10136	9.1
159.08006	4.5
159.11694	10.9
161.09612	1.8
161.13266	3.5
163.11179	3.2
165.06949	1.1
167.08609	3.3
168.09399	1.1
169.10110	6.1
171.08083	1.0
171.11665	8.5
173.09657	3.3
173.11841	1.8
173.13190	7.6
175.11223	2.3
175.14844	1.6
177.12740	1.9
178.74554	0.9
179.08601	1.1
179.14307	2.1
181.10129	3.8
183.11671	6.9
185.09650	2.1
185.13281	6.7
187.11176	2.4
187.14868	2.9
189.11183	4.8
191.14384	0.9
193.12302	2.3
195.11688	3.8
197.13222	4.7
199.11156	1.4
199.14874	3.1
201.12730	1.1
201.16342	2.1
207.11653	1.1
209.13263	3.8
211.14879	2.6
213.16441	1.2
215.17889	1.1
217.15729	1.1
221.13319	1.2
223.14810	1.7
225.16522	1.9
227.12508	4.1
237.16397	1.9
241.15874	1.3
241.19597	1.4
246.04474	1.0
247.16884	1.9
257.19122	1.3
259.20648	2.4
265.19556	1.4
267.15897	1.9
271.16943	1.1
271.24219	1.2
275.20139	2.2
277.21518	2.6
283.20557	2.6
285.10110	1.1
297.22079	1.2
299.23666	8.6
301.21674	2.2
313.21771	1.1
315.23123	1.6
321.21994	1.1
325.21591	1.6
333.24371	1.3
339.23273	1.7
352.37369	1.2
357.24216	1.4
403.24557	1.1
415.29837	4.0
417.26279	1.3
420.88708	1.0
421.25497	1.5
433.31006	8.8
438.88910	1.0
451.32230	12.4
459.31329	1.0
469.33215	7.1
487.33884	1.4
507.34763	1.8
515.37128	1.1
525.35706	24.6
537.91711	2.3
543.36774	100.0
544.36987	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	543.132
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90710	4.1
85.02855	1.2
97.02913	1.1
98.97595	0.9
119.01907	0.9
131.01918	0.9
139.00774	1.0
143.01958	0.9
145.00758	1.1
160.01315	1.6
161.02928	1.0
169.01773	0.9
173.03030	1.1
180.71233	0.7
181.01768	0.9
181.50793	0.7
185.02943	1.4
190.02319	1.3
190.71112	0.7
196.02422	0.9
197.03180	0.8
202.02399	1.1
211.02699	1.1
232.03456	2.6
245.05107	1.6
247.76042	0.7
262.83063	0.8
283.05011	1.1
335.11945	0.7
336.17490	0.7
363.06863	2.9
381.07846	16.8
441.86578	0.8
455.84296	1.0
474.51624	0.9
543.13190	100.0
544.13635	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	543.132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75463	1.3
56.96570	2.0
61.02905	1.5
69.03412	2.7
69.31639	7.4
69.32063	7.4
73.02901	1.5
80.76349	1.4
85.02895	5.9
95.16386	1.4
97.02880	2.9
103.45963	1.4
120.05334	1.6
127.03880	2.6
132.95813	2.0
145.05008	1.5
146.99638	1.5
149.01227	2.1
150.96954	1.9
159.16702	1.6
173.02913	1.7
232.41533	1.5
277.00070	4.7
289.65903	1.4
381.07907	16.4
401.03845	1.8
543.13202	100.0
544.13965	2.0
568.60474	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	543.3678
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03946	2.2
55.01866	2.6
55.05258	1.4
55.05506	18.1
57.03427	3.9
57.07070	1.6
59.05011	0.8
65.03947	1.8
67.05497	28.2
69.03427	1.8
69.07062	9.6
69.81758	3.4
71.04984	2.2
71.08624	1.0
79.05083	0.5
79.05479	19.8
81.03413	7.6
81.07050	24.8
83.04968	2.9
83.08610	8.5
85.02914	1.2
85.06538	1.8
91.05473	19.2
93.07033	18.4
93.07619	1.3
95.04954	7.2
95.08591	14.8
97.06521	2.8
97.10165	8.3
98.21466	1.4
99.08073	0.9
105.07022	18.6
107.04952	2.8
107.08591	12.0
109.06517	2.6
109.10150	8.5
111.08114	2.3
115.05485	2.1
117.07016	12.4
119.08568	13.4
121.06509	3.0
121.10129	6.2
123.08102	2.0
123.11703	2.9
125.09601	6.0
126.19818	0.6
128.06226	2.5
129.06993	10.9
130.07774	0.8
131.08560	17.3
133.06465	1.7
133.10117	9.2
135.08041	1.7
135.11702	3.4
135.12582	0.6
137.09641	1.0
141.06967	3.3
142.07805	2.5
143.08546	9.8
145.06485	2.7
145.10109	13.2
147.08044	2.6
147.11684	6.7
149.09616	2.1
149.13225	1.5
151.11203	1.3
153.06966	1.3
153.09145	1.2
155.08565	6.6
156.09386	1.3
157.06577	0.9
157.10117	8.5
159.08066	3.5
159.11694	9.0
161.09607	1.6
161.13261	2.5
163.11160	1.5
163.14857	0.9
167.08574	2.4
169.10110	6.6
171.08073	1.9
171.11670	9.1
173.09677	2.8
173.11845	1.3
173.13226	5.7
175.11218	2.2
175.14806	1.5
179.08559	1.0
179.14351	1.6
181.10081	4.7
183.11665	5.4
184.12222	1.0
185.09653	2.1
185.13249	6.0
187.11221	2.0
187.14838	2.7
189.11208	2.5
193.10150	2.0
193.12254	2.2
195.08011	0.8
195.11606	3.3
197.09659	0.9
197.13284	4.2
199.11223	1.3
199.14799	4.5
201.12784	1.6
207.11717	1.2
209.13336	3.1
211.13135	1.1
211.14830	2.3
213.12782	1.4
215.14343	1.3
221.13347	1.1
223.14856	2.7
227.12825	3.3
229.14398	1.7
231.21005	1.0
239.18106	0.8
241.15997	1.1
241.19475	1.4
247.16937	0.8
259.20502	4.1
260.25827	0.7
265.19489	1.4
267.15927	2.5
271.17032	0.8
271.20563	0.8
275.20135	1.5
277.21716	2.2
283.20538	2.7
285.22086	0.7
297.18845	0.7
297.22153	2.9
299.20297	1.2
299.23734	5.6
301.21747	1.9
313.21539	1.2
315.23328	1.2
325.21591	1.6
327.23471	1.6
329.21225	0.9
333.24347	1.2
339.23264	1.9
357.24356	1.9
405.31680	1.1
415.30020	3.2
421.25894	0.9
423.32700	2.1
433.30945	7.0
451.31964	10.6
469.33057	5.9
471.31650	0.9
487.33740	1.4
507.34717	1.4
509.80826	0.8
515.37305	1.9
525.35693	21.6
543.36743	100.0
544.37640	1.0
544.81604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.1
55.86116	1.1
57.07072	34.6
67.05495	5.3
69.07053	3.3
69.30158	14.7
71.08629	25.7
73.06563	9.7
75.26062	1.4
79.05487	4.2
81.03390	1.5
81.07047	3.9
83.08600	2.7
85.10175	16.4
87.04459	3.6
89.06028	100.0
91.05466	3.3
93.07028	3.0
95.04985	1.6
95.08604	2.4
97.10172	4.3
98.20647	2.3
99.11719	5.4
100.65170	1.3
105.07015	1.7
107.07048	4.6
107.08607	2.0
109.10117	1.5
113.13316	1.6
117.09126	4.9
119.08531	3.8
129.06960	1.1
130.08641	3.1
131.07062	2.0
131.08528	2.0
133.08601	50.8
135.10091	1.6
135.23714	1.5
145.10098	1.6
155.17929	5.4
157.10092	1.9
177.11217	19.3
196.68755	1.4
199.20534	6.7
221.13899	3.3
239.14735	1.8
240.23221	2.2
243.23178	9.0
275.19968	1.6
283.17636	1.5
287.25735	4.8
327.20349	2.2
371.18320	1.4
371.22781	6.5
424.81946	1.5
525.40302	8.7
542.35272	3.0
543.36829	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	543.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
53.12275	0.7
55.05498	2.4
55.93515	4.2
56.94295	1.1
67.05499	2.5
69.03436	4.0
69.07068	1.6
70.06582	6.0
70.15742	1.7
70.16149	2.5
70.95855	3.2
71.04980	0.9
72.08141	2.5
72.93784	8.8
74.95295	0.8
79.05486	3.0
81.03421	4.0
81.07056	3.6
82.07397	0.9
83.04980	1.2
84.08125	2.2
85.02880	2.3
85.06544	0.9
86.09706	4.0
88.96877	1.4
90.94807	6.2
91.05470	2.9
93.07038	5.4
95.04971	2.1
95.08575	2.8
97.02885	1.9
98.20882	0.8
99.08093	0.9
104.96375	0.8
105.03391	1.8
105.06993	4.0
107.08593	7.8
108.95857	1.3
109.02858	4.0
109.06516	3.9
109.10159	3.5
116.96308	1.1
119.08595	6.3
120.08085	2.1
121.02908	1.0
121.06506	4.2
121.10151	2.9
123.08056	15.1
125.09640	1.1
128.96349	1.8
131.08531	1.8
132.95824	21.5
133.10138	1.9
134.97351	1.9
135.04431	0.7
135.08087	4.5
135.11664	4.5
136.07573	0.9
137.05998	1.3
137.09581	2.6
138.98415	0.8
142.97908	1.0
144.95769	5.1
145.06429	0.9
145.10127	1.0
146.97379	2.7
147.11664	0.7
148.07538	1.3
148.99001	1.4
149.00267	0.7
149.13223	2.3
150.96890	14.8
151.07545	1.0
157.10129	2.5
158.97426	3.5
159.11679	5.4
161.13243	2.4
162.96855	6.6
163.11180	0.9
164.99989	1.8
166.97940	1.4
168.95869	2.1
170.97380	1.4
171.13875	0.9
174.96884	15.7
176.98448	2.7
177.12778	4.7
179.01537	4.2
180.99411	3.6
183.01028	1.2
183.98203	0.9
184.99051	1.1
186.96954	4.1
188.98421	1.0
192.97906	3.5
192.99525	2.1
194.00258	2.1
194.02242	0.7
194.97356	0.9
195.01031	19.3
197.02649	6.7
197.99797	0.9
198.96913	2.5
199.00519	3.8
199.06253	1.9
200.94930	1.1
200.98489	1.0
203.05183	2.3
204.97859	1.0
205.12164	2.2
207.01018	2.7
208.98965	1.9
209.02625	3.0
209.96162	1.0
210.03281	1.0
211.00523	3.3
212.01324	2.6
213.02081	9.1
216.97974	5.2
217.06688	1.1
218.95912	1.2
221.02536	1.6
223.00536	1.4
223.04179	0.9
224.98325	0.8
225.01985	2.2
227.00008	1.8
227.03680	0.9
229.01579	3.8
231.04680	1.5
233.06229	3.4
234.98988	3.3
235.04140	2.1
236.03706	0.9
237.02042	4.2
239.03645	1.1
241.01463	1.8
249.02119	2.3
249.05724	3.8
251.03693	1.3
251.07275	2.2
253.05148	1.0
254.09550	0.8
255.03157	0.8
259.02621	1.1
260.40170	0.8
260.96796	1.7
262.03055	1.0
263.03635	1.2
265.05142	2.1
267.06827	3.1
275.04517	0.9
275.07257	2.7
277.00089	1.2
277.05203	2.8
278.05893	0.8
283.02600	2.0
291.06665	1.1
293.08411	5.6
295.06247	25.2
308.26691	0.9
311.05814	1.1
311.09427	2.1
313.07330	21.9
318.07928	1.4
319.06201	2.7
331.08536	5.3
336.08878	0.8
337.07303	64.7
349.07285	9.1
351.08777	1.1
355.08353	31.7
361.07379	1.7
363.05289	1.0
367.08264	4.1
369.09610	1.1
373.07407	2.8
378.09906	3.1
379.08313	7.3
381.05960	1.7
385.09424	3.0
391.08472	3.0
397.09555	4.2
399.07220	1.6
403.08160	1.4
409.09415	1.2
421.09409	2.7
423.07538	1.1
439.10327	6.1
457.11530	100.0
458.11453	1.7
466.14694	0.8
475.12827	5.2
498.13977	4.2
499.12759	1.0
543.17999	3.2
543.25067	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	542.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
53.55006	0.6
55.01867	0.9
55.05513	1.2
56.05024	1.6
56.96555	0.7
57.03433	1.2
60.04510	0.8
60.15155	0.5
61.01167	0.7
61.02894	1.1
65.03928	0.9
67.05517	3.7
69.03424	4.4
69.07050	1.4
70.06586	23.0
70.88576	0.9
70.88923	1.4
71.04983	1.1
71.06908	0.8
71.50900	0.7
72.08144	3.5
73.02889	0.6
79.05476	2.7
81.03406	3.1
81.07055	3.3
84.04488	2.7
84.08140	15.0
85.02897	8.5
85.06531	1.3
86.09698	8.8
88.03995	0.8
91.05461	4.7
93.07030	2.0
94.04164	3.1
95.04969	2.3
95.08601	1.8
96.08115	1.8
97.02892	6.0
97.06503	0.7
99.04482	0.8
102.05537	1.5
103.05479	6.0
105.07030	4.3
106.06541	3.7
107.04929	2.0
107.08567	2.1
108.08101	2.0
109.02866	5.3
109.06501	2.2
109.10142	5.6
110.07128	1.9
112.07568	1.0
114.53465	0.6
115.08688	0.9
117.06991	1.1
119.04935	0.8
119.08591	2.0
120.08099	2.2
121.06506	4.1
121.10109	1.6
122.03659	5.5
123.04437	0.6
123.08069	1.2
124.07590	2.6
127.03884	3.8
129.06993	1.1
129.10234	5.5
130.10527	0.8
131.04919	8.0
132.95804	0.9
133.06483	17.2
134.05994	2.6
134.41917	0.7
135.08031	6.1
136.07550	3.5
137.05965	100.0
137.09581	11.6
138.09082	1.2
143.04915	1.0
143.08557	1.5
143.11702	0.7
145.04942	1.7
145.06494	4.4
145.10098	0.9
147.04407	0.9
147.08014	2.2
149.05981	1.4
151.07544	5.2
152.05823	1.0
152.07034	7.3
155.10634	1.1
157.06458	1.5
163.07532	27.0
164.07048	1.4
165.07510	0.9
165.09094	12.0
170.08099	5.0
171.08072	2.8
174.06924	1.0
174.96942	1.2
175.07524	2.8
176.08067	0.7
177.09160	0.9
177.71704	0.7
181.05986	0.8
183.10152	2.0
183.14941	1.1
187.07555	1.1
188.08240	0.8
189.09096	2.9
201.11140	3.4
203.10645	4.4
207.42665	0.6
217.08203	0.9
235.11174	1.1
252.15808	1.4
260.96909	0.8
263.10645	1.9
291.12335	0.8
295.13235	12.4
309.13293	1.2
327.15958	18.5
345.17093	0.8
428.18988	0.7
457.11151	0.7
494.23895	0.7
505.38184	1.0
506.24008	3.7
524.24841	7.0
542.25641	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	541.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.2
53.03942	6.6
55.01863	3.8
55.05507	30.1
57.03441	4.6
57.07056	4.2
65.03941	6.8
67.05499	88.2
69.03416	3.2
69.07062	18.6
69.34967	15.1
71.04988	4.0
71.08624	2.3
73.06575	2.4
79.05486	100.0
81.03404	9.7
81.07050	72.8
83.04968	13.7
83.08615	10.9
85.06532	3.5
91.04895	2.7
91.05064	1.6
91.05473	74.9
93.07034	86.0
95.04955	26.1
95.08598	41.2
97.06515	4.8
97.10167	5.8
103.05379	1.5
105.04517	3.6
105.07019	50.5
107.04941	7.2
107.08579	34.0
109.06521	6.1
109.10139	12.3
111.08097	3.5
115.05433	2.1
117.07000	14.1
119.08568	33.0
119.09347	2.6
121.06500	3.1
121.10128	22.4
123.08086	5.6
123.08915	1.7
123.11691	3.7
127.07590	1.7
128.06219	4.0
129.06999	15.7
130.07745	1.7
131.08533	12.0
133.06569	1.5
133.10143	16.9
135.11676	12.8
141.06984	1.7
143.08553	10.5
145.10092	15.5
147.08165	2.1
147.11671	32.7
149.13284	4.0
155.08549	2.4
156.09349	1.7
157.10164	3.4
159.11705	5.3
160.61424	1.5
161.09651	5.2
161.13246	10.8
163.11179	2.0
169.10150	3.6
171.11673	23.5
173.11768	2.9
173.13188	3.4
177.16415	1.6
183.11752	2.5
185.13202	2.6
187.14885	3.3
189.12805	8.4
207.13789	19.6
211.14839	1.7
225.14967	4.1
261.22217	5.1
281.17407	1.6
339.82382	1.6
411.34570	1.7
449.34769	2.6
485.36804	1.8
541.38989	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46917	2.6
53.03933	4.4
53.18512	3.6
55.01863	6.6
55.05503	17.4
56.05026	4.9
57.03435	6.2
57.07073	15.3
59.05019	5.1
61.02922	5.0
65.03937	3.1
67.05502	48.7
69.03424	30.6
69.07062	41.1
69.38539	29.0
70.06199	2.7
70.06584	55.1
71.04984	11.5
71.06908	3.3
72.08143	9.0
73.02926	4.2
79.05486	19.3
81.03419	10.0
81.07052	96.2
83.04985	6.2
83.08630	17.6
84.04495	6.4
84.08136	31.5
85.02876	18.3
85.06538	84.2
86.09697	23.6
88.03979	5.6
91.05468	11.2
93.07034	55.5
94.06580	2.9
95.04967	7.3
95.08596	76.6
97.02886	9.0
97.06532	14.7
97.10161	4.7
98.85761	3.2
99.08107	15.0
105.07012	27.2
107.08584	58.2
108.08109	3.7
109.03137	5.2
109.06515	6.1
109.10152	69.6
110.07176	6.6
110.09624	3.2
111.08074	33.6
119.08562	18.4
120.08076	7.0
121.06469	3.8
121.10139	31.3
123.08087	3.1
123.11693	70.7
125.09612	79.8
127.03870	6.3
127.11174	7.8
129.10237	15.4
130.08638	5.3
133.10081	8.7
135.11697	28.2
136.07567	6.0
137.05992	6.2
137.09589	7.8
137.13248	13.6
138.09137	4.1
139.11179	13.5
145.10080	7.1
147.11662	16.8
149.13258	9.6
150.05511	3.1
151.11176	8.9
152.07033	3.4
153.12689	18.5
153.38997	2.8
159.11679	8.1
161.13272	9.0
163.11162	3.3
163.14804	10.9
165.09184	3.5
165.12775	11.4
169.12224	20.5
171.13779	100.0
173.13252	4.6
175.14813	7.6
177.16389	3.6
179.14339	5.3
181.70470	3.0
189.16385	3.3
191.17926	6.1
196.09717	5.3
203.18036	5.3
211.11520	2.7
212.35989	2.9
215.17958	7.2
220.84277	3.0
225.67909	3.3
228.12631	5.7
233.19026	4.7
239.20131	3.5
243.08789	3.9
251.20105	7.0
257.12909	16.2
271.24237	6.0
277.25235	11.8
287.05563	5.4
289.05252	5.7
289.25180	32.7
295.26328	12.0
307.26358	40.4
308.09253	3.3
313.27493	13.1
325.27399	17.6
343.28314	29.3
361.29337	18.9
405.45105	3.0
541.23010	20.1
541.32745	6.5
542.24597	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	541.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99591	6.0
53.03939	13.6
55.01870	12.3
55.05503	34.1
56.05029	7.6
56.96559	14.2
57.03435	12.0
57.07071	10.1
61.02912	15.7
67.05505	38.8
69.03435	42.8
69.07067	27.5
69.30735	60.6
70.06592	65.3
71.05001	7.9
72.08167	20.7
73.02914	11.3
79.05485	33.8
80.05835	8.5
81.03407	44.3
81.07044	60.6
83.04981	26.6
83.08615	14.6
84.04519	9.9
84.08148	33.7
85.02909	49.2
85.06540	34.5
86.09710	21.2
87.00803	10.4
91.05447	32.2
93.07049	51.4
95.04976	31.4
95.08600	44.9
97.02346	6.1
97.02853	34.0
97.06544	41.9
97.10152	7.8
98.20779	15.5
99.04488	8.8
99.08106	10.2
105.01893	13.6
105.07034	42.9
107.08603	39.7
109.02890	16.5
109.06543	19.5
109.10175	51.7
110.07188	12.9
110.09633	6.5
111.08071	19.3
113.09636	9.4
117.07059	10.9
119.08597	42.9
120.08109	15.8
120.93623	6.1
121.06506	23.6
121.10138	56.5
122.06020	6.6
123.04417	28.6
123.08094	12.5
123.11704	19.4
125.05971	7.0
125.09612	17.2
126.89039	7.2
127.03912	24.9
127.07568	8.6
129.07045	8.6
129.10205	10.0
131.08569	12.0
133.06487	7.5
133.10110	25.2
135.08055	19.0
135.11719	20.7
136.07600	9.0
137.06000	16.4
137.09630	21.5
139.11166	11.9
143.08597	7.7
145.04941	10.3
145.10144	37.7
147.11708	21.0
149.09569	31.4
149.13254	9.8
150.11603	7.0
151.07571	7.9
151.11156	12.0
153.09097	29.2
157.10150	7.7
159.02844	8.7
159.08113	6.6
159.11710	20.5
161.09680	11.1
161.13248	8.1
163.03885	14.8
163.11195	16.1
165.09100	12.9
171.11665	11.1
173.02417	10.1
173.09717	13.2
173.13255	27.2
179.10675	17.4
184.52060	7.1
187.14842	21.9
189.12801	8.4
191.14363	11.9
193.12260	11.3
197.13208	9.5
201.12737	15.1
205.12247	9.6
207.13794	10.5
212.13136	5.8
215.07083	12.4
219.13849	8.3
243.75514	7.7
257.19003	25.4
259.09735	29.0
275.20068	98.5
293.21088	100.0
414.28674	6.6
455.16895	7.1
487.23599	9.4
497.23645	21.3
541.21826	22.7
541.29395	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	541.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01860	0.8
55.05492	1.0
56.05019	0.5
56.96545	0.8
57.03413	0.8
60.44059	0.4
61.02913	0.9
67.05518	2.2
69.03412	1.8
69.07051	1.5
69.36528	4.2
70.06590	4.5
71.04983	0.7
72.08145	1.5
79.05467	1.9
81.03403	2.0
81.07069	3.0
83.04989	0.8
83.08596	0.8
84.04446	0.5
84.08145	2.8
85.02892	2.0
86.06909	0.4
86.09688	1.9
91.05461	1.8
93.07028	2.2
95.04950	1.3
95.08588	2.0
97.02881	1.3
97.06516	1.5
105.07020	1.7
107.04976	0.7
107.08572	1.8
109.02849	0.8
109.06470	0.8
109.10152	1.6
110.07136	0.6
111.08057	0.6
119.08567	1.8
120.08064	1.2
121.06520	0.8
121.10140	1.7
123.08020	0.5
125.09618	0.7
127.03909	0.8
129.04065	0.5
129.06972	0.5
129.10237	2.1
131.08607	0.8
133.10135	1.0
135.04419	0.5
135.08101	0.9
135.11703	0.7
137.05969	0.7
139.11055	0.5
145.10118	1.3
147.04364	0.6
147.11681	0.9
149.09619	0.7
157.10234	0.5
160.11214	1.0
161.06577	1.7
161.11604	0.7
161.13142	0.5
163.03954	0.9
187.11104	0.5
193.12343	0.5
215.07082	0.5
239.10970	0.5
249.16924	3.5
258.08878	0.7
259.09467	1.5
271.04224	1.7
275.16083	1.5
285.10010	0.7
289.05261	1.0
293.17236	100.0
294.17514	1.5
311.17020	9.4
334.18875	0.8
353.18042	1.0
361.23444	0.9
379.00009	0.5
379.24213	1.3
419.18954	0.9
455.22348	1.6
497.23605	22.1
523.21667	0.7
541.22510	69.8
541.29822	10.0
542.22766	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	541.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.9
56.05028	1.8
56.96283	2.7
56.96559	40.5
59.06094	1.3
59.80928	1.1
67.05521	2.0
69.03425	2.6
70.06240	2.2
70.06592	29.3
71.59341	1.2
71.95262	2.5
72.08150	5.1
74.06071	2.3
81.03408	1.7
81.07055	1.5
82.06594	1.4
84.04498	3.7
84.08143	12.5
84.96031	14.2
85.02895	3.6
86.09711	8.4
88.04021	2.2
90.64519	1.3
91.05499	4.5
92.76883	1.3
93.07029	2.7
95.08633	1.3
97.02838	1.6
98.06015	1.4
98.97575	97.3
99.12073	1.5
102.05554	1.8
102.97070	3.5
105.07058	2.2
108.03039	1.3
110.07159	2.6
110.97582	1.9
112.99113	6.3
116.98614	100.0
119.04891	1.6
119.08485	1.2
120.08123	1.5
122.31762	1.1
127.03873	1.6
128.98598	5.1
129.10211	9.3
130.04982	1.3
131.00150	28.3
132.64175	1.2
133.10132	1.5
134.99646	64.3
136.07591	2.6
137.05922	1.4
140.00186	3.0
141.10385	1.2
142.96501	4.0
143.00182	1.4
144.98129	2.8
146.99637	6.8
147.04416	4.7
149.01207	38.8
153.00706	8.5
158.01253	3.0
158.99638	33.2
159.00845	2.4
160.97560	11.6
161.01222	6.0
162.99162	7.8
165.00763	1.8
167.02281	7.1
167.03619	1.5
172.02829	1.7
173.01218	32.0
174.96880	2.7
175.02733	1.3
175.11195	4.8
177.00702	62.2
177.05482	1.5
178.98691	5.4
179.02298	2.8
184.97548	2.8
185.04828	6.4
186.14204	1.2
189.00600	2.5
191.02271	44.1
195.01785	11.7
197.04926	2.4
200.02306	4.2
201.00653	11.6
202.98615	25.5
203.05930	2.3
209.03319	3.8
213.04294	2.1
214.03853	4.0
219.01738	23.0
219.10182	4.5
220.10429	3.9
220.99730	8.3
225.07950	2.9
226.98669	1.6
227.05698	1.6
231.01900	3.1
231.07016	2.4
239.09256	1.2
244.99704	58.1
249.02611	1.3
249.07933	18.4
263.00754	21.5
265.05087	1.9
265.07629	2.4
267.06281	2.6
267.09042	40.5
275.05972	4.4
281.01709	2.2
281.06918	1.7
285.10071	11.3
286.02536	2.1
289.05334	2.2
293.06955	14.6
295.08517	3.9
305.01898	4.0
309.10056	3.6
311.08035	19.1
323.02881	5.2
329.08978	3.1
335.07965	74.3
339.07327	1.7
347.07965	2.3
349.09921	7.2
353.09064	86.8
365.09244	3.1
367.10742	8.0
376.10614	7.6
377.09052	22.9
379.10004	2.2
395.10120	26.5
407.10184	2.7
421.08047	13.2
481.10223	2.1
497.15067	2.1
541.13208	30.3
541.22229	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	541.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54698	0.7
55.05521	1.0
55.93509	1.4
56.05022	1.8
56.94300	2.6
56.96558	0.8
57.03428	0.9
60.04525	1.3
61.61455	0.7
63.02278	0.8
67.05482	3.4
69.03421	2.9
69.07052	3.7
69.77276	1.3
69.77688	3.6
70.06593	14.9
70.95850	1.5
71.04971	3.0
72.08137	4.4
72.93779	7.9
73.94581	0.7
74.06073	0.9
75.15057	0.6
79.05488	3.8
81.03415	2.7
81.07054	7.7
83.04964	1.0
83.08607	1.2
84.04497	3.1
84.07758	0.8
84.08150	8.0
85.02898	5.6
85.06543	3.8
86.09706	6.8
90.94822	8.1
91.05511	3.9
93.07057	5.4
94.06571	0.9
95.04964	2.2
95.08604	5.3
97.02882	2.7
97.06533	2.2
98.21470	1.7
102.05547	1.3
104.96366	1.3
105.07017	4.7
107.08598	6.1
108.95842	4.0
109.02872	2.2
109.06482	1.7
109.10139	3.8
110.07136	1.7
111.08093	0.9
114.94117	0.9
114.94838	2.9
115.07607	0.9
116.96371	3.3
117.06994	1.4
118.63905	0.8
119.04948	1.2
119.08572	3.5
120.08111	1.9
121.06506	1.1
121.10107	3.8
122.97403	0.9
123.08078	2.5
123.11705	2.5
124.07603	1.1
125.09606	1.6
127.03951	1.7
128.96371	1.1
129.10201	4.6
131.08583	1.5
132.95830	61.7
133.06519	0.9
133.10123	2.5
134.97374	3.5
135.11702	1.3
136.07581	8.1
137.05988	1.8
137.09578	0.9
139.11176	2.0
142.07721	0.9
143.08473	1.2
144.95839	12.1
145.10110	2.1
146.97394	2.4
147.08075	0.9
147.11650	2.9
150.96884	54.2
151.11113	0.9
152.07094	2.0
153.12714	0.9
155.97400	2.4
157.10123	2.7
158.97340	1.7
159.11646	2.2
162.96881	21.0
164.07042	7.3
164.08194	0.8
169.12178	1.3
170.97360	1.1
173.98428	1.2
174.96886	100.0
175.11157	3.0
176.98479	1.0
182.07910	1.0
185.98547	1.0
186.96866	6.5
188.98526	1.5
192.97974	17.7
192.99527	0.9
194.00204	1.0
195.01057	2.6
198.96883	3.7
200.94806	15.0
203.10675	0.9
204.97951	2.6
209.02649	1.6
215.99577	4.2
216.97992	6.8
218.95869	15.1
219.04738	1.3
227.00043	1.0
230.95874	3.4
233.02686	1.2
234.98924	4.9
236.01476	1.6
237.02010	10.3
239.20093	2.4
239.62978	0.8
241.97519	1.2
242.95903	7.2
246.98860	0.8
247.04184	1.8
248.96909	2.2
249.02193	1.9
251.20078	8.0
253.00087	3.3
254.02446	1.0
260.96933	34.9
268.16556	0.8
269.21152	2.0
278.97958	9.0
287.05579	1.7
287.13809	2.0
289.05246	1.8
290.98047	0.9
291.06693	2.5
292.04166	0.7
293.04593	4.6
301.99579	2.5
307.26321	1.6
309.08228	1.2
311.05704	3.4
314.64780	0.8
320.98956	6.6
325.27328	2.9
335.05740	63.1
339.00052	1.0
343.28568	1.2
347.05734	13.3
353.06824	4.0
361.03616	5.2
361.29358	0.9
365.06961	2.2
376.08496	3.1
377.06781	3.9
379.04523	1.8
395.07922	2.1
421.05716	6.0
455.09811	1.0
497.23523	1.2
541.22754	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	539.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01867	6.8
55.05510	29.7
57.03431	9.6
57.07072	53.2
65.03937	4.6
67.05505	44.0
69.03437	6.4
69.07056	18.4
71.05006	4.8
71.08627	38.2
71.60983	5.0
73.02897	4.2
79.05484	32.4
81.03400	11.3
81.07053	50.7
83.04965	13.3
83.08604	31.1
85.02876	12.3
85.10193	23.9
85.55287	3.4
87.04432	5.5
89.06020	6.5
91.05473	16.1
93.07027	20.6
94.56349	4.4
95.04945	11.9
95.08604	42.0
97.06493	6.4
97.10171	20.4
105.07030	12.7
106.81219	4.1
107.04948	5.7
107.08569	15.2
109.02934	8.7
109.10146	18.3
111.04432	17.5
111.11741	4.4
119.08549	8.2
121.10117	7.7
123.08072	4.8
123.11708	11.3
125.09609	9.7
131.08524	8.6
133.10112	4.8
135.11684	14.4
145.10049	9.7
153.12779	5.0
163.11136	11.8
176.34261	4.0
181.12196	6.7
191.10757	8.2
202.67203	4.5
204.68936	4.1
207.99451	4.1
209.11708	58.3
227.12761	22.9
239.23637	14.4
283.15433	25.3
312.46201	5.0
313.27469	18.5
382.98047	4.0
521.38159	13.1
539.27570	6.7
539.39423	100.0
561.87207	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	539.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
54.14315	1.3
55.01857	3.7
55.05506	13.9
57.03425	6.4
57.07072	20.7
58.10018	1.5
66.65418	1.5
66.83557	1.4
67.05499	19.0
69.03411	3.7
69.07062	7.7
69.67474	2.6
69.67894	8.1
71.04964	1.7
71.08631	14.3
72.99545	1.9
79.05485	19.3
80.15250	1.4
81.03400	4.4
81.07049	28.3
83.04968	6.5
83.08611	10.6
85.02890	3.9
85.10168	7.3
89.06031	3.6
91.05473	10.7
91.93070	1.3
93.07040	15.3
95.04964	3.6
95.08608	15.0
97.02915	7.2
97.06529	3.4
97.10162	5.9
99.04464	1.8
105.06997	4.3
107.04961	3.8
107.08572	8.3
108.95737	1.5
109.02889	2.7
109.10162	9.2
111.04443	26.9
117.07008	4.8
119.08558	3.1
121.06396	1.6
121.10133	7.5
123.11711	4.2
131.08565	3.2
133.08638	2.8
135.11684	4.3
144.37700	1.3
145.10123	6.9
153.43204	1.6
163.11191	4.4
173.09578	2.5
181.12245	2.4
191.10643	4.6
209.11728	100.0
215.60703	1.4
227.12769	24.1
232.99632	1.5
239.23668	9.3
245.13890	2.7
257.24854	1.6
265.01395	1.5
282.59464	1.4
283.15405	25.8
313.27371	17.5
320.96988	1.6
341.26782	1.9
521.38531	10.1
539.29596	2.4
539.39337	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82322	2.0
53.00295	2.3
53.03936	5.9
54.55473	2.0
55.01863	13.4
55.05503	36.8
57.03434	13.9
57.07072	70.5
61.02910	2.5
65.03924	4.3
67.05499	54.1
69.03419	7.6
69.07070	23.2
71.04990	5.0
71.08628	46.9
73.02909	7.1
75.84492	2.4
79.05478	31.7
81.03411	8.8
81.07049	54.2
83.04971	18.6
83.08614	26.5
85.02888	15.4
85.06538	3.0
85.10173	23.7
89.00104	2.1
89.06053	3.2
91.05486	21.0
93.07032	28.2
95.04938	10.4
95.08599	55.3
96.49442	2.0
97.02892	7.0
97.06556	6.3
97.10164	19.9
99.04459	6.9
99.11776	2.4
105.07028	9.6
107.04939	9.8
107.08575	19.3
109.02877	11.4
109.10155	21.5
111.04424	32.5
111.08067	5.3
111.11742	3.7
113.05975	2.0
117.07014	7.8
118.76291	2.3
119.08530	10.8
121.10138	14.8
123.08012	3.1
123.11715	8.7
125.09624	13.3
127.03921	8.4
127.14488	2.3
129.07014	4.3
131.08545	11.1
132.99579	3.6
133.10124	2.4
135.11658	14.9
137.13272	4.0
143.10667	2.4
145.10094	16.4
147.08011	2.9
147.11612	2.2
149.09607	3.8
153.12773	8.7
155.08545	5.5
156.71071	2.4
163.11151	18.9
173.09644	8.8
181.12253	19.0
188.92406	10.2
191.00154	5.9
191.10674	17.9
199.13347	7.3
201.54346	2.4
206.93562	3.1
209.11736	23.0
214.94052	3.1
226.94073	8.5
227.12714	22.3
239.23715	25.2
244.95219	6.7
245.13953	3.6
257.24835	3.4
265.14462	3.4
283.15372	24.0
300.97614	2.9
301.16742	3.1
313.27344	28.9
404.63000	2.3
521.38037	8.3
539.29358	7.5
539.39380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36905	3.7
53.03937	5.4
55.01868	7.6
55.05508	33.1
57.03430	12.7
57.07074	53.2
67.05225	4.3
67.05510	55.7
69.03408	6.2
69.07068	19.8
70.96564	4.5
70.96883	9.6
71.08627	35.0
79.05499	53.4
80.08650	4.8
81.03414	8.9
81.07056	57.4
83.04979	12.8
83.08607	24.9
85.02893	6.4
85.10187	17.7
89.05967	4.7
91.05489	34.7
93.07050	49.4
95.04958	12.2
95.08606	63.9
97.06500	6.4
97.10158	18.1
99.04443	5.6
105.07044	26.2
107.04942	13.5
107.08598	34.1
109.02892	5.2
109.10144	28.3
111.04414	11.8
111.08081	5.8
117.07028	15.6
119.08582	18.1
121.06555	7.7
121.10143	16.3
123.11679	4.6
125.09634	8.6
129.06978	7.8
131.08563	12.4
133.10117	12.4
135.11678	41.6
141.07002	5.7
142.07837	4.6
143.08551	9.4
145.10121	32.7
147.11662	4.7
153.12724	5.3
155.08549	14.1
157.10144	12.4
163.11227	35.2
167.08580	5.4
167.59200	4.7
169.10069	11.5
171.11719	11.3
181.10182	12.6
181.12268	12.5
183.11615	10.4
185.13168	7.9
191.10728	8.6
195.11734	8.5
197.13155	6.1
199.13252	5.4
209.11670	11.5
209.13376	6.0
212.92061	4.7
219.11754	4.6
221.13193	5.5
227.12779	93.3
283.15378	44.8
313.27368	81.1
447.32385	22.0
521.38062	42.3
539.37604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	8.0
55.05508	33.5
57.03426	14.0
57.07071	82.5
57.46299	3.7
66.28451	3.1
67.05493	69.8
69.03427	7.0
69.07062	35.0
69.34627	16.1
69.35055	21.8
71.04981	8.5
71.08630	55.9
72.62580	3.4
79.05482	49.4
81.03397	13.7
81.07050	77.0
82.24644	3.7
83.04974	16.3
83.08599	27.4
85.02879	5.5
85.10164	27.4
89.17644	3.6
91.05470	32.0
93.07047	63.0
95.04971	19.0
95.08608	62.4
97.02895	7.8
97.06544	6.6
97.10155	21.0
98.20754	6.4
105.07019	19.8
107.04949	16.2
107.08583	33.9
109.02895	7.5
109.06525	3.7
109.10146	30.0
111.04410	19.7
111.08095	4.2
111.11680	7.3
117.07013	15.7
119.08574	16.9
121.06493	11.8
121.10131	27.4
121.56707	3.7
123.11700	11.2
125.09586	7.2
127.03912	4.4
129.06946	3.7
131.08539	9.8
133.10135	8.8
135.08070	4.7
135.11688	47.8
137.13211	4.1
139.11183	4.7
145.10133	36.0
149.09633	6.6
153.12735	5.3
163.11169	52.8
173.09569	10.4
181.12241	16.7
182.51540	3.7
191.00067	3.8
191.10716	7.8
209.11710	57.1
227.10504	5.9
227.12752	98.2
228.28799	4.1
239.23683	16.4
245.13992	4.8
261.46021	4.0
276.70013	4.9
283.15372	58.5
285.10245	5.4
293.21066	4.9
313.27304	77.2
320.12827	3.9
341.26895	6.8
521.38324	58.4
535.41705	3.7
539.39380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.7
53.03937	11.5
55.01870	22.1
55.05505	35.8
57.03179	2.5
57.03432	26.6
57.07071	100.0
61.02918	6.3
62.71414	1.6
65.03932	2.6
67.05500	57.8
67.72711	1.6
67.73132	1.5
69.03422	49.3
69.07062	28.2
71.01346	2.3
71.05007	8.2
71.08624	69.7
73.02911	47.0
75.04470	3.3
79.05488	26.2
81.03416	41.6
81.07052	70.6
83.04967	15.3
83.08608	45.6
85.02901	39.4
85.06517	3.2
85.10168	40.6
85.10649	3.1
91.05470	16.3
93.03406	2.7
93.07037	18.0
95.04965	7.0
95.08601	73.8
97.02886	21.7
97.06506	4.6
97.10162	24.3
99.04440	26.7
99.11710	2.4
103.03946	4.3
104.60081	1.8
105.07010	7.2
107.04964	3.7
107.08572	13.8
109.02868	65.3
109.06527	2.4
109.10158	40.9
110.03654	7.9
111.04432	78.7
111.08049	2.5
111.11707	6.9
112.73119	1.5
113.06022	1.7
115.03913	3.0
117.06986	5.5
119.08612	4.2
121.06532	1.9
121.10139	7.2
123.11692	24.2
125.09597	2.4
125.13249	5.3
127.03908	38.6
127.14887	1.9
129.07063	1.9
131.08563	6.1
132.99533	23.8
133.10117	6.3
135.08066	2.1
135.11697	5.8
137.13264	11.4
139.14761	2.1
145.10139	9.2
149.09610	4.6
151.00613	8.6
151.14833	6.7
155.08601	2.1
163.11163	6.6
164.59558	1.6
165.16368	4.2
167.00085	1.9
169.01662	2.0
172.99031	4.8
173.09612	2.8
181.12288	2.1
188.92447	4.3
191.00073	37.1
191.10695	5.2
197.01195	2.7
209.01154	11.5
209.11710	94.2
219.77007	1.6
221.22618	7.1
226.93964	3.1
227.12759	26.7
239.23677	97.6
244.95056	4.1
257.24725	12.0
265.03836	8.4
283.15366	33.1
298.27280	3.7
313.27322	69.1
355.28348	3.5
421.94031	2.3
521.38336	13.2
539.30701	86.3
539.39441	46.6
540.28918	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	539.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.4
55.01845	0.6
55.05457	1.1
56.04995	0.5
66.49079	0.4
67.05491	1.8
67.63630	0.4
69.03390	0.8
69.07015	1.2
69.92822	2.3
70.06585	4.2
72.08124	0.7
79.05420	1.2
81.03365	1.2
81.07056	2.5
82.06518	0.4
84.04467	1.1
84.08136	4.1
85.02843	1.6
85.06497	0.6
86.09652	1.1
90.90945	0.4
91.05412	1.2
93.06989	1.3
95.04935	0.5
95.08532	1.6
97.02837	1.1
97.06482	0.8
98.21429	0.6
99.04398	0.5
102.05483	0.7
105.06982	1.2
105.40438	0.5
107.08543	1.2
109.02809	0.7
109.06474	0.7
109.10094	1.6
110.07127	0.7
119.08483	0.8
120.08063	0.7
121.06527	0.7
121.10074	1.0
123.08015	0.7
123.53915	0.4
127.03872	0.6
129.06853	0.4
129.10181	1.7
133.10056	0.9
135.07983	0.5
135.11635	0.6
136.07542	1.0
137.05930	1.0
137.09572	0.6
138.09093	0.5
145.10045	0.5
147.04407	0.6
149.09433	0.4
163.03880	0.6
163.07408	0.4
164.28374	0.4
165.16237	0.5
166.08623	0.5
201.12651	0.5
217.08319	0.5
229.17944	0.7
230.18192	0.6
259.09665	0.5
273.18243	0.4
359.21906	1.0
377.22958	100.0
378.23306	1.9
411.17694	0.4
433.88834	0.5
539.28271	61.4
540.28717	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	538.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
53.59769	0.5
55.01869	0.9
55.05514	3.2
56.05017	2.2
56.96516	0.6
57.03442	2.9
58.06602	1.1
60.04517	0.6
61.02910	0.9
65.03931	0.6
67.05479	2.6
68.05015	0.9
69.03126	0.6
69.03426	6.4
69.07047	0.9
69.79133	0.6
70.06589	24.0
70.76986	1.9
71.04976	0.8
71.06925	1.1
72.08147	4.8
72.69109	0.5
73.02905	0.9
74.06072	1.1
75.04465	2.6
77.03929	0.6
79.05066	1.0
79.05488	17.0
81.03412	9.4
81.07047	4.5
82.06564	1.2
83.04952	0.7
84.04506	3.6
84.08138	17.3
85.02906	5.5
85.06533	0.7
85.08472	1.0
86.09698	7.3
87.04465	0.8
88.03980	1.8
91.03966	0.7
91.05472	16.3
93.07035	62.1
94.06593	0.6
95.04961	10.0
95.08597	1.9
96.08130	1.0
97.02895	3.9
97.06529	1.3
99.04423	1.2
102.05539	2.9
102.53764	0.6
103.05421	1.5
104.05330	0.9
105.04552	0.6
105.07028	7.7
107.04926	1.2
107.08582	11.0
109.02857	4.8
109.06534	1.3
109.10126	1.6
110.07166	3.9
111.04477	0.7
111.08096	2.0
116.07052	0.7
119.04930	9.8
119.08552	3.5
120.08116	2.0
121.06522	3.4
121.10132	47.7
123.04414	24.1
123.05315	1.3
123.08046	1.1
123.11674	1.4
125.05999	0.8
126.61362	0.5
127.03933	2.8
127.04862	0.6
129.01782	0.8
129.06995	0.6
129.10237	7.9
131.04868	0.6
131.08531	4.4
135.08000	0.7
135.11697	0.7
136.07553	2.1
137.05937	1.5
137.09586	1.4
139.11171	2.3
145.04955	0.8
145.10056	0.9
147.04388	9.5
149.08406	1.6
149.09598	13.0
152.05664	1.5
163.03885	0.7
164.10699	19.8
165.05469	20.6
165.06873	1.2
165.09099	0.8
167.10657	3.0
180.09932	0.6
210.11234	100.0
211.11485	1.0
217.08170	1.3
226.15677	0.7
293.13757	5.0
311.15002	3.6
326.15973	0.7
372.16458	1.6
474.24771	2.4
492.25452	1.1
520.25464	18.3
528.67816	0.6
538.26611	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	537.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	7.5
55.05487	20.0
57.03418	9.6
57.07071	42.3
59.13909	4.4
67.05500	57.2
69.07053	16.1
69.40799	31.4
69.41220	17.6
71.08630	29.6
79.05482	52.0
81.07050	48.7
83.04972	14.5
83.08578	15.3
85.10164	16.7
90.83332	6.0
91.05472	51.2
93.07024	61.2
95.04954	20.7
95.08592	41.8
97.06466	6.3
97.10153	6.5
98.20802	11.3
100.15465	6.4
105.07007	38.9
107.08591	14.1
109.10133	22.8
110.98204	4.5
117.06985	9.5
119.08558	21.4
121.71449	5.1
125.69932	5.4
129.06985	15.9
133.10088	8.2
143.08588	5.8
145.10143	7.1
147.11670	36.4
161.09608	8.7
161.13150	9.1
171.11725	32.4
189.12733	17.4
199.17294	5.6
207.13824	36.5
245.50552	5.9
276.49652	5.1
281.17441	61.3
281.29285	5.3
286.24692	5.2
296.34799	5.1
313.27280	62.4
323.04599	6.0
519.40387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01846	0.5
55.05494	1.2
56.96552	0.9
59.04992	0.6
67.05493	2.1
69.07056	1.9
70.06572	3.6
71.04983	0.7
72.08150	0.7
79.05487	2.3
81.03397	1.8
81.07040	2.9
82.06575	0.7
83.08595	0.7
84.04464	0.6
84.08133	3.8
85.02895	1.3
86.06065	1.1
86.09689	1.7
91.05467	3.1
93.07034	3.3
94.06566	4.2
95.04950	1.7
95.07338	2.7
95.08607	2.3
96.08127	4.1
96.08664	0.6
97.02871	0.9
97.06523	2.4
98.21497	1.3
105.07028	1.6
106.06584	0.7
107.04942	0.9
107.08582	1.6
108.04455	1.1
108.08099	5.0
109.10138	1.2
110.09678	6.1
111.08099	0.8
119.04941	0.7
119.08599	0.8
120.04456	4.1
120.08090	7.1
121.06493	1.0
121.10143	1.5
122.06015	1.7
122.09672	1.2
122.87455	0.7
124.07587	3.7
129.10252	1.0
132.08076	2.1
133.10126	0.8
134.05986	1.3
135.06717	0.5
135.08018	0.7
135.11652	0.9
136.07559	7.5
138.09129	10.6
145.10086	0.9
146.06000	3.7
146.09589	0.7
147.06723	0.7
148.07541	2.5
150.09108	1.4
151.06236	0.8
152.07040	4.0
152.10629	0.7
158.06102	0.8
159.11801	0.9
160.07529	1.6
162.09114	1.1
163.03999	0.8
163.11147	0.7
164.07037	1.8
166.08617	11.6
176.07039	0.7
176.10782	0.7
177.07851	1.1
178.08681	0.9
180.10167	1.1
182.08183	1.3
182.09683	1.3
182.11765	1.5
183.09158	0.8
184.09897	0.7
185.10730	1.2
188.07027	1.2
190.08554	0.7
192.06522	1.0
192.10188	1.8
194.08086	3.0
196.09824	1.2
197.10739	3.5
198.11493	0.9
199.12360	1.5
202.08784	0.6
206.08218	1.2
209.10710	1.5
210.11406	1.0
211.08549	0.9
211.12267	1.6
212.09395	0.8
213.10204	2.0
213.13910	1.4
218.08159	0.7
220.09787	0.8
221.10834	1.0
222.07887	0.7
222.11229	3.5
223.08728	1.0
223.12299	0.6
224.09335	1.3
225.10217	6.2
226.10973	2.6
227.11662	2.8
233.06888	1.1
233.10832	0.7
236.09268	2.3
237.10213	3.7
238.10959	1.7
239.11766	6.8
241.09660	0.7
241.13364	1.0
245.12808	0.9
248.09135	15.0
249.10185	2.7
250.10939	1.5
251.08163	1.3
251.11879	2.6
252.12596	1.0
253.09709	6.8
253.13316	1.4
255.11290	1.2
256.12048	0.7
259.09689	0.9
259.14426	1.2
261.10242	1.2
261.16125	0.6
265.09772	3.7
267.11343	5.3
268.12076	1.4
269.12903	1.3
271.10742	1.5
273.12195	1.0
277.09702	0.9
278.10513	1.6
279.08383	0.7
279.11157	4.1
280.12082	1.4
281.12741	3.1
282.13965	0.6
283.10693	2.9
283.13864	0.6
285.12292	3.2
286.13089	1.4
287.13861	5.7
289.09698	1.4
291.11130	1.0
293.09634	0.7
293.12943	1.9
294.10092	1.1
295.10736	2.6
296.11542	0.7
297.12335	2.0
298.13089	1.2
299.10370	0.7
299.13882	1.1
301.15475	2.4
309.12308	2.5
311.10135	2.5
311.13861	1.9
313.11813	9.4
313.15433	3.9
314.12369	0.9
323.13831	1.4
326.12589	4.2
327.13306	3.1
328.14163	6.6
329.14932	15.9
335.10095	2.7
339.13358	16.1
340.10623	1.0
341.14938	12.1
354.12048	1.8
355.12790	5.1
367.12823	10.4
374.18634	0.8
387.83887	0.6
444.19000	0.9
452.22055	1.1
462.20261	2.6
466.23126	0.9
476.21756	0.9
479.20264	0.9
488.18225	5.0
492.21295	1.0
494.22800	100.0
495.22989	1.4
520.20776	27.8
538.27753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	3.8
53.03935	2.8
55.01860	4.1
55.05257	1.8
55.05507	21.2
57.07071	40.4
59.05001	1.7
59.99257	0.9
65.03918	2.1
67.05500	28.1
67.67072	0.9
69.03422	2.8
69.07063	13.6
71.01347	1.6
71.08624	30.6
71.13026	2.0
79.05489	13.0
80.87723	1.1
81.03429	6.5
81.07049	36.5
83.04974	2.7
83.08604	21.4
85.02920	1.1
85.06544	1.3
85.10180	17.8
88.32336	1.1
91.05471	21.0
93.07033	15.3
95.04954	6.9
95.08596	28.6
97.02878	4.2
97.06508	2.7
97.10149	9.6
99.00806	15.5
99.08083	1.3
99.11714	1.9
105.07018	17.3
107.04940	4.7
107.08560	6.2
109.02864	8.2
109.06519	2.5
109.10142	17.2
109.10831	1.7
111.08092	2.9
111.11687	1.2
115.03996	1.7
117.06998	3.7
119.08572	10.0
121.06533	5.4
121.10157	1.6
123.04420	2.3
123.11703	10.8
127.03898	1.7
128.06180	2.0
133.06470	1.7
133.10127	30.4
134.10471	1.4
135.08023	1.1
135.11700	1.4
137.05988	1.8
137.13271	3.2
139.07535	2.2
143.08551	4.7
145.06444	1.4
147.08112	1.3
151.11191	8.5
151.14799	1.2
161.09604	18.0
162.09933	1.1
171.08022	2.1
179.10654	13.7
189.09056	12.9
197.11713	5.0
207.10120	5.8
210.07155	1.1
221.22562	1.5
225.11191	18.4
239.23630	10.2
243.12396	2.8
281.13663	4.8
313.27390	1.5
319.21194	1.1
484.82190	1.2
537.37823	100.0
538.38660	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.2
56.05036	0.7
56.37848	0.2
57.03429	0.3
58.06612	0.4
60.08158	5.2
60.08466	0.3
67.05504	0.9
69.07073	0.2
70.06591	0.2
71.05485	0.4
71.07373	3.1
71.66885	0.2
79.05501	0.5
81.03399	0.3
81.07040	0.7
85.02935	0.2
86.09699	31.5
91.05440	0.4
93.07023	0.5
95.08596	0.6
98.98463	3.3
104.10739	3.3
105.07007	0.2
107.08599	0.2
109.58194	0.2
111.17116	0.2
121.10155	0.2
123.71339	0.2
124.99994	21.5
131.08531	0.2
143.01045	0.5
169.20804	0.2
174.89807	0.2
184.07326	100.0
185.07642	0.4
258.10898	0.3
263.98560	0.2
283.02658	0.2
291.19635	0.2
328.90750	0.2
387.92130	0.2
500.31012	0.7
518.25671	0.3
518.32422	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	536.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01867	3.4
55.05505	7.6
56.05032	2.6
57.03426	2.8
57.98799	1.0
58.99585	16.3
60.04499	1.3
64.94897	0.9
67.05495	8.8
69.03431	4.5
69.07054	3.9
69.53365	8.2
70.06586	14.2
70.64022	0.9
71.04984	4.0
71.06916	0.9
72.08155	6.1
73.02907	1.1
74.00658	3.6
74.06074	1.4
76.02223	88.9
76.04000	5.8
79.05489	9.4
80.04997	1.7
81.03412	27.2
81.07056	11.6
82.06560	1.6
83.04974	7.2
83.06103	2.7
83.08611	10.4
84.04498	28.1
84.08139	7.2
85.02914	4.8
85.04012	5.8
85.06535	1.9
86.09689	6.9
86.99030	6.1
88.02200	1.7
88.03961	1.3
91.05469	10.4
92.01687	2.8
93.07016	5.9
94.06565	1.2
95.04957	11.8
95.08595	3.6
97.01103	3.3
97.02884	3.5
97.06516	2.7
97.10167	2.0
99.08092	1.6
102.05534	1.8
103.05463	1.1
104.07201	1.0
105.07026	8.4
106.06581	1.4
107.04906	2.2
107.08588	3.7
109.02888	1.1
109.06520	1.5
109.10157	2.1
110.07165	1.2
111.02663	1.1
111.08037	4.8
112.03951	1.7
113.03463	1.6
114.03748	1.3
115.05499	1.0
116.01668	24.2
116.02481	1.4
119.08570	6.7
120.08105	6.2
121.10159	3.2
123.08072	2.5
125.09612	1.5
127.03944	1.2
129.06931	4.6
129.10211	4.5
130.04993	21.5
131.04510	4.7
131.08582	3.5
133.10124	3.4
135.08078	1.6
135.11638	1.3
135.36575	1.0
136.07614	3.0
137.05949	1.5
137.09604	1.3
140.10701	1.4
142.03212	8.7
142.07751	1.2
144.01131	13.4
145.06145	1.5
145.10086	1.9
147.07951	1.5
147.11662	5.2
149.09628	2.4
154.08607	2.5
155.08252	1.4
157.10097	5.1
160.00648	1.1
162.02193	44.1
163.11177	1.1
170.02711	3.5
173.09477	0.9
175.11153	5.7
177.03294	17.2
179.04843	100.0
185.03798	2.5
187.00681	1.1
187.05402	2.5
193.10556	0.7
193.12221	20.9
199.07281	1.0
200.70483	0.9
201.12370	1.4
211.13277	37.6
215.04860	2.4
231.04277	2.1
233.05891	27.1
245.05869	5.4
250.12628	1.3
268.13431	2.0
286.14624	2.1
287.05502	1.9
288.06262	2.8
290.07990	1.9
291.06436	3.6
303.05002	1.7
306.07791	2.1
308.09088	87.0
371.16309	1.5
425.16681	1.1
431.52420	1.2
461.19202	1.6
498.71744	0.9
518.21722	2.1
536.24030	1.4
536.31458	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2879
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05497	1.0
57.03436	0.8
57.83867	0.4
60.08152	0.9
65.03905	0.5
67.05500	2.5
69.03385	0.5
70.06584	0.7
70.52479	0.6
70.52867	0.7
71.07365	0.5
77.84806	0.4
79.05489	1.5
81.03429	2.6
81.07046	2.8
83.05001	0.8
83.08604	1.3
84.08125	0.5
84.60558	0.4
85.02886	2.1
86.09719	3.3
87.10044	0.8
91.05473	1.9
93.07035	1.7
95.00805	0.4
95.04970	1.8
95.08597	1.2
97.06544	0.7
104.10732	1.0
105.07024	1.8
107.08581	0.6
109.10163	1.0
117.07001	0.5
119.08590	1.2
121.10163	0.8
125.00002	2.7
129.05508	0.5
129.06943	0.4
131.08617	0.7
133.10165	0.9
147.11687	1.0
157.10144	0.9
184.07338	11.6
184.08963	0.6
185.07678	2.9
211.13121	0.6
240.90796	0.7
251.12546	7.6
269.12375	0.9
285.16940	0.6
306.91916	0.8
307.15201	7.1
488.86539	0.6
493.88303	1.1
517.30194	0.4
535.28778	100.0
536.29236	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	536.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20489	1.4
53.03947	2.6
55.01866	10.4
55.05506	13.0
56.05029	4.4
57.03440	3.7
58.99583	9.0
60.04512	2.1
61.02913	2.1
61.37814	1.4
64.11481	1.6
65.03928	2.1
65.57241	1.5
67.05503	16.9
69.03415	5.1
69.07063	7.1
70.06588	43.3
70.84716	4.6
71.04987	7.0
71.06940	1.8
72.08141	11.2
74.00662	9.1
74.06075	2.2
76.02220	47.3
76.04002	5.8
79.05480	14.9
80.05016	3.6
81.03412	30.6
81.07053	19.3
82.06566	2.8
83.04981	8.8
83.06099	4.6
83.08624	11.8
84.04504	24.6
84.08134	21.0
84.53178	1.4
85.02908	7.2
85.04018	2.3
85.06539	4.0
86.06072	3.1
86.09705	25.4
86.99051	2.2
89.67954	1.4
91.05463	17.3
93.07026	13.3
94.06590	3.6
95.04967	16.4
95.08614	7.7
96.04527	2.1
97.01105	4.3
97.02886	5.4
97.06533	29.6
97.10164	8.0
98.76763	1.7
99.02680	4.4
99.05602	1.7
101.00576	2.3
101.07169	1.5
102.05540	2.2
105.07033	15.8
107.04990	3.9
107.08582	6.7
108.08128	1.6
109.06513	4.7
109.10139	4.3
110.07172	3.8
111.02634	1.7
111.04419	2.4
111.08067	7.5
112.08698	1.8
113.00619	5.2
113.04221	1.9
113.09438	1.3
115.02197	2.8
115.08692	2.2
116.01671	15.3
116.07081	5.9
116.10731	1.8
117.06979	2.2
117.27024	1.4
119.08575	10.3
120.08061	7.2
121.06514	1.6
121.10141	6.0
123.08065	5.5
124.03899	2.1
125.09631	6.6
127.02116	3.1
127.07487	1.7
129.03694	4.1
129.06921	6.3
129.10201	9.3
130.05009	13.9
131.04704	1.8
131.08543	9.4
133.10100	10.3
135.08099	3.1
135.11728	3.3
136.07590	5.1
136.08617	1.6
137.06046	2.1
137.09586	2.7
142.03217	4.1
142.08681	2.0
144.01115	7.1
145.07605	3.9
145.10147	3.7
147.07993	2.1
147.11649	7.3
149.09584	4.5
151.11169	1.8
153.06673	2.6
154.08661	4.8
155.08278	2.4
157.10083	8.2
159.11504	2.1
162.02187	30.0
162.03442	2.8
163.11203	5.4
164.98460	1.7
165.12758	2.1
166.38387	1.5
170.02765	2.1
171.94344	1.6
173.09476	2.9
175.11176	9.3
176.06955	1.8
177.03329	8.9
179.04837	64.1
179.08975	2.7
180.92094	1.7
181.06241	2.8
185.03831	6.5
187.05389	2.2
189.12717	1.8
191.10626	2.5
193.12231	31.6
193.13855	2.6
199.07118	1.8
209.11716	10.6
211.13283	100.0
213.12399	3.8
213.14894	2.5
215.04800	2.2
215.14003	1.6
217.15938	1.6
225.09500	6.6
228.15984	1.6
231.04352	12.1
233.05956	16.2
243.10443	14.8
245.05838	2.4
250.12497	2.6
268.13715	5.3
269.12146	3.9
286.14606	10.7
287.13101	3.6
288.06686	2.0
304.15671	2.3
308.09085	45.3
371.16364	4.7
389.17368	71.7
407.18457	2.8
461.19501	8.5
464.29868	2.6
482.31094	3.4
518.21490	6.9
536.15863	1.9
536.23975	7.5
536.32440	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	535.2877
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05512	0.5
56.41111	0.3
56.96556	1.7
57.03413	0.5
60.08145	1.0
67.05503	1.6
69.07088	0.4
70.48044	1.4
71.07351	0.9
79.05453	0.8
81.03411	0.5
81.07047	1.1
85.02907	0.6
86.09699	3.6
87.10048	0.4
91.05458	0.8
93.07028	0.7
95.08586	0.7
95.47207	0.4
98.21601	0.3
98.97566	1.5
104.10733	7.0
109.10173	0.7
116.98614	1.3
119.08587	0.4
121.10198	0.4
125.00019	1.8
131.00174	1.1
133.10092	0.4
134.99652	0.9
135.11659	0.4
138.52977	0.7
146.99626	0.4
149.01196	1.7
158.99725	0.6
177.00739	1.0
184.07353	4.9
185.04305	0.4
191.02126	0.5
203.05249	0.9
278.63864	0.7
291.19559	0.4
293.05444	0.6
299.18570	1.1
315.16187	2.2
316.16806	0.4
333.17297	0.4
373.23370	0.5
500.31244	0.8
534.78595	1.2
535.28772	100.0
536.29047	2.1
547.92010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.7
56.96554	1.3
57.03437	0.8
57.07066	1.0
61.02913	0.8
67.05501	4.5
69.03422	3.0
69.07052	2.0
70.00608	4.4
70.06584	5.9
71.04969	2.2
72.08144	2.2
73.02898	1.1
79.05486	2.8
81.03421	3.6
81.07055	5.0
83.04960	1.6
84.04499	1.1
84.08134	2.8
85.02915	4.4
85.06528	1.7
86.09702	4.3
87.00841	0.9
87.04456	1.1
91.03984	1.2
91.05466	2.8
93.07024	3.5
94.06509	0.8
95.04960	2.1
95.08580	2.6
97.02875	4.7
97.06529	2.3
97.10137	0.7
99.04476	1.3
99.08120	0.7
105.07019	2.4
107.04938	1.2
107.08608	2.7
109.02888	2.4
109.06512	1.6
109.10135	2.3
111.04410	0.9
117.07022	0.8
119.08552	2.4
120.08099	1.9
121.06496	0.9
121.10144	1.7
123.08039	0.8
123.11715	1.1
124.03943	1.4
125.09608	1.3
127.03909	2.8
129.07042	0.9
129.10249	1.3
131.08562	1.4
133.10133	2.4
134.99628	0.7
135.08095	1.2
135.11699	1.7
136.07616	1.8
137.06020	1.8
137.09613	0.8
143.08551	0.8
145.10126	1.4
146.06126	0.8
147.11673	2.0
148.07596	0.9
152.62427	0.8
153.01834	1.1
157.10121	0.8
159.02873	0.8
159.11670	0.9
161.05983	1.0
161.09596	0.8
163.03978	0.9
163.07458	1.2
163.11148	1.0
166.08595	0.8
167.10713	0.8
171.11667	0.9
173.13094	1.0
177.00780	1.0
177.05486	0.8
180.80623	0.8
193.12221	0.8
211.10831	1.3
215.17836	1.2
251.19981	1.5
267.09103	2.8
269.21100	2.3
280.05908	0.7
281.95288	0.7
285.10077	3.7
287.05490	13.5
287.08459	1.2
303.05157	0.9
393.00272	0.8
422.19739	0.8
480.22800	0.8
485.16943	2.5
493.88611	0.8
535.21527	100.0
536.22076	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	535.215
Annotation	piperaquine
Peak:m/z	Relative Intensity
53.03920	0.8
56.05018	1.4
56.96556	0.7
57.03431	0.7
58.99572	1.6
59.05001	0.9
61.02901	0.7
67.05502	2.9
69.03429	1.3
69.07052	1.9
70.06591	12.5
71.04971	1.4
71.06918	0.9
72.08153	3.3
73.02870	0.7
74.00655	2.5
76.02214	5.6
76.03988	1.7
79.05476	2.1
81.03403	2.7
81.07052	3.4
82.36411	0.6
83.06133	0.7
83.08600	1.3
84.04519	5.4
84.08123	5.0
85.02898	3.0
85.04008	1.6
85.06527	1.1
86.09700	5.4
89.05984	0.7
91.05474	2.3
92.01711	1.3
93.07040	3.2
95.04936	1.0
95.08602	2.2
96.04494	0.6
97.02898	1.6
97.06499	1.6
99.04424	1.1
102.05558	0.9
103.07559	0.8
105.07018	1.2
107.04957	1.1
107.08600	2.0
109.02866	1.9
109.06514	1.2
109.10145	1.5
110.07166	1.8
113.03469	1.3
113.09032	0.7
116.01662	1.7
116.07032	0.8
117.07013	1.3
119.08583	1.8
120.08135	3.2
120.08868	0.8
121.06527	1.3
121.10135	1.7
123.04429	0.7
125.09655	0.9
127.03907	0.8
129.10217	3.4
130.05020	3.7
131.00130	1.1
131.04526	2.0
131.05397	0.8
131.08621	1.0
133.06406	1.0
133.10120	1.1
134.99597	0.7
135.11697	0.9
136.07588	3.3
137.05974	1.4
137.09627	1.0
140.01633	0.8
142.03172	0.8
145.10115	1.8
147.17741	0.8
149.01221	0.9
149.09621	1.1
152.07097	0.7
155.08157	0.8
157.10005	1.0
162.02187	3.3
163.02509	0.9
163.11174	1.5
173.09566	0.7
177.03268	7.9
178.03584	2.1
179.04868	2.8
185.03786	1.1
227.12753	1.1
228.13232	1.1
231.04463	1.2
243.17146	1.1
267.09085	2.0
273.04190	2.0
285.10083	3.3
285.13101	1.2
299.05734	0.8
302.14090	1.1
303.05188	0.9
303.14642	1.6
309.10281	0.9
312.12808	1.5
313.12955	3.0
327.04999	0.8
361.10901	1.5
402.78580	0.7
405.16953	1.4
406.17194	2.9
416.28799	0.8
460.18176	1.9
485.16858	2.1
493.88770	1.0
535.21503	100.0
536.21875	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	535.1082
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03933	0.7
55.01853	0.3
57.03422	0.5
61.02908	0.5
64.61810	0.1
67.05500	0.2
68.99793	0.6
69.03422	5.6
70.06574	1.1
70.16950	0.8
71.04984	0.5
72.08134	0.4
73.02907	0.6
79.05459	0.4
81.02979	0.3
81.03411	3.4
81.07040	0.4
83.01295	0.2
84.04489	0.3
84.08124	0.6
85.02409	0.3
85.02892	3.4
86.09690	0.5
87.00818	3.8
91.03946	0.5
93.07018	0.2
95.04968	0.4
97.02887	3.0
97.06528	0.2
99.04454	0.8
102.05515	0.2
103.03947	0.2
105.01859	2.1
105.03353	0.4
105.06993	0.2
107.04913	0.4
109.02857	2.6
109.10139	0.2
111.00797	0.6
111.04411	0.2
117.01838	0.8
119.08617	0.2
120.08106	0.2
121.02847	2.1
127.03905	3.6
129.10222	0.2
133.02844	0.4
136.07484	0.2
137.02342	0.6
145.04883	0.8
145.06491	0.2
147.04424	0.6
153.01817	4.0
157.06499	0.3
159.02882	3.2
159.04164	0.1
165.01788	1.9
171.02762	0.2
183.02875	0.8
185.05975	0.4
197.06117	0.2
213.03696	0.3
213.05539	1.1
225.06613	0.2
231.04747	1.7
231.06865	0.4
241.04887	0.7
245.04404	0.2
258.05219	1.0
259.06000	0.2
273.04245	0.2
287.05463	100.0
288.05679	0.9
313.03323	0.2
315.05521	0.2
329.06485	0.4
331.04459	0.3
395.07623	0.3
535.14673	0.2
535.21820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	22.5
57.03427	6.4
57.07058	10.6
67.05500	86.3
67.17979	3.7
69.03437	8.3
69.07066	22.1
69.58389	27.3
71.08625	6.2
79.05498	22.0
80.60313	3.6
81.03400	8.6
81.07054	100.0
83.08607	16.3
85.02896	6.3
85.06522	4.2
91.05467	26.3
93.07034	30.8
94.07038	3.2
95.08600	75.3
97.06544	6.9
97.10149	9.9
98.20765	7.1
103.88706	3.8
104.10719	9.9
105.07037	17.1
105.85335	3.1
107.08592	21.7
109.10144	34.4
111.08112	3.7
119.08585	16.1
121.10142	12.9
123.11693	15.2
133.10117	17.4
135.11703	10.3
136.54784	3.4
137.13217	7.4
144.22823	3.7
147.11667	9.6
149.13252	9.4
151.14833	4.9
161.13220	11.1
163.14844	6.9
165.16393	6.5
175.14824	9.7
184.07321	9.4
189.16364	6.1
221.98247	3.8
227.20036	9.3
245.22607	34.4
250.32402	3.2
263.23666	56.1
289.54059	3.1
306.92047	4.3
321.24051	4.7
332.29617	4.2
337.27322	24.7
371.25919	10.4
389.26773	9.5
407.27768	7.2
425.29190	4.6
492.87854	7.9
547.28900	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
55.05495	11.6
56.96552	5.6
57.03437	4.6
61.02912	6.4
62.21526	2.5
65.24741	2.6
67.05505	19.8
69.03418	10.8
69.07059	20.3
70.06583	10.7
70.08329	11.2
70.38093	2.5
71.04986	18.5
71.08622	2.5
72.08142	5.5
79.05501	19.1
81.03408	15.1
81.07049	36.4
83.04987	4.5
83.08601	5.9
84.08125	5.2
85.02901	10.1
85.06548	4.6
86.09682	6.9
87.00813	2.3
91.05471	19.9
93.07038	28.5
95.04974	15.1
95.08604	30.5
97.02885	11.0
97.06535	20.5
97.10146	4.3
98.20814	3.6
99.04460	5.3
99.08094	6.0
105.07018	24.9
107.04949	4.8
107.08598	22.0
109.02886	3.9
109.06518	7.6
109.10143	52.6
111.08092	4.3
111.11700	3.9
117.07002	4.9
119.04955	2.6
119.08574	24.4
120.08102	6.1
121.06505	9.2
121.10133	46.5
122.09621	3.7
123.04433	4.7
123.08061	5.5
123.11708	8.4
125.09612	14.3
127.03907	7.5
127.07613	2.7
127.11233	4.1
129.07030	3.3
131.08546	9.8
133.10124	27.5
135.04417	3.5
135.08093	6.1
135.11649	18.5
136.07533	18.9
137.05984	6.9
137.09624	25.7
137.13243	4.1
139.11153	23.4
141.12761	3.7
143.08560	6.6
145.06500	3.1
145.10100	16.8
147.04477	3.1
147.08020	8.5
147.11670	8.2
148.07549	4.3
149.09641	8.3
149.13205	2.8
151.11165	5.3
153.12767	5.6
155.08548	4.1
155.10603	2.7
157.10124	10.8
159.08044	4.8
159.11682	10.4
161.09592	24.0
161.13248	5.4
163.03915	10.3
163.11195	11.9
165.09062	15.6
169.10135	6.2
171.11705	11.6
173.09628	9.8
173.13272	13.6
175.11165	18.7
175.14824	5.9
185.13329	6.5
187.07515	2.6
187.11211	6.4
187.14861	10.7
189.09200	3.5
189.12735	5.1
193.12135	2.5
193.15976	3.7
197.13206	12.1
199.11131	3.8
199.14865	3.7
203.14305	7.8
212.15614	3.2
213.12756	10.6
213.16348	14.9
214.18019	6.7
215.07092	3.8
215.14244	19.6
227.14401	2.8
231.17410	17.1
233.15388	6.1
234.89919	2.8
240.90919	8.3
241.19563	3.2
250.14417	2.7
259.09653	11.8
265.19452	4.3
268.16202	4.4
273.21793	4.6
276.90933	5.6
281.91278	6.8
283.20493	26.5
301.21600	100.0
306.92047	8.2
319.22629	82.0
324.93188	3.6
337.23859	3.8
459.76999	2.6
488.28918	3.7
492.88214	12.0
516.29279	5.2
534.29572	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	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.2
56.05032	0.3
58.06635	0.5
59.07379	0.2
60.08162	6.3
60.08469	0.3
67.05494	0.5
68.51983	0.2
69.07067	0.2
70.14509	0.3
70.14906	0.4
71.07371	2.8
79.05489	0.2
81.07051	0.2
84.10438	0.1
86.09700	31.2
91.05447	0.2
93.07022	0.3
95.08607	0.2
98.98460	3.1
104.10739	4.0
104.52861	0.1
107.04972	0.2
107.08583	0.2
114.07088	0.2
124.99997	21.7
143.01030	0.5
174.13162	0.2
184.07329	100.0
185.07628	0.2
208.42229	0.2
323.12091	0.2
516.30469	0.7
529.86603	0.2
534.32159	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	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05032	0.6
56.96561	0.1
58.06329	0.2
58.06632	0.5
59.07385	0.2
60.08161	7.1
66.44408	0.1
67.05499	0.4
69.03429	0.2
69.07055	0.3
70.05769	0.7
70.06594	0.3
71.07367	3.4
78.47249	0.1
79.05479	0.5
81.03401	0.2
81.07062	0.4
84.08122	0.2
85.02911	0.1
86.09702	31.8
91.05478	0.4
93.07025	0.4
95.08601	0.2
98.98460	3.3
102.95948	0.2
104.10741	3.1
105.07050	0.2
106.43601	0.1
107.08576	0.4
109.10144	0.2
110.94363	0.1
119.08574	0.2
121.10190	0.1
121.28487	0.1
124.99998	22.8
127.04023	0.1
133.10106	0.2
143.01010	0.5
183.19173	0.1
184.07329	100.0
185.07716	0.6
189.41164	0.1
196.36629	0.2
240.90887	0.6
258.10977	0.3
264.90869	0.2
276.90979	0.2
281.91147	0.4
282.92068	0.2
306.91925	0.7
318.91873	0.2
322.91458	0.1
324.92831	0.3
337.25858	0.1
365.93317	0.2
492.87970	0.8
493.44968	0.1
493.88336	0.2
498.29477	0.6
516.30853	3.2
551.89386	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	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72342	0.3
53.03945	0.3
53.64063	0.3
55.05495	0.9
56.05024	0.9
57.03406	0.4
58.06598	0.5
60.07873	0.5
60.08153	6.4
60.49451	0.3
67.05482	1.3
69.03418	0.9
69.07044	0.5
69.32254	0.8
69.32645	3.3
71.07366	2.6
73.02897	0.5
73.56709	0.3
79.05466	1.1
81.03394	1.1
81.07031	1.4
83.04941	0.5
84.02035	0.3
85.02881	1.5
86.09695	29.8
91.04006	0.3
91.05462	1.2
93.07030	1.6
95.04942	0.4
95.08579	0.9
97.02883	1.1
97.06524	0.6
98.98454	2.9
104.10732	3.2
105.06998	1.0
107.08556	0.8
109.10140	1.0
119.05069	0.3
119.08561	0.8
121.10165	0.4
124.99986	20.8
145.04932	0.7
145.10057	0.4
149.13239	0.4
163.03894	0.6
184.07318	100.0
198.63687	0.3
226.33577	0.4
229.07326	0.4
240.90916	0.4
322.91525	0.4
492.87933	0.8
498.29675	0.8
516.30609	3.1
534.26685	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	533.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01861	1.7
55.05507	1.0
56.96599	0.9
57.03440	1.6
59.80804	0.6
65.03925	1.0
67.05481	1.4
68.29574	0.7
69.03415	3.9
70.06587	7.6
70.85329	1.0
70.85667	1.2
71.04988	1.1
72.08143	1.3
73.02919	1.4
78.04707	2.3
79.05489	9.1
81.03403	2.4
81.07037	1.0
83.04983	1.3
84.08144	1.5
85.02917	7.0
86.09698	3.4
91.05469	5.5
93.03414	1.1
93.07040	1.8
95.03979	0.8
95.04977	3.6
95.08608	1.6
97.02873	2.7
97.06481	1.0
99.04437	1.0
101.05990	0.8
103.05470	2.7
105.03394	0.7
105.07030	10.0
106.04168	2.5
107.04951	12.4
107.08528	1.0
109.02863	1.9
109.10194	0.9
115.05444	4.0
117.06980	1.4
118.04166	0.9
119.04926	2.9
119.08578	2.1
120.05323	0.9
120.08112	1.0
121.06518	4.0
122.06797	1.0
123.04421	5.2
124.05214	3.7
125.06007	1.9
127.03898	2.1
128.06201	3.4
129.07011	7.3
129.10243	1.2
131.04936	3.0
131.08586	1.5
132.05701	3.4
133.06502	5.3
133.10063	0.9
135.08054	1.1
136.07562	2.0
136.90924	0.8
137.05963	2.3
138.02982	0.8
139.07585	1.0
141.07016	0.8
144.05687	1.4
145.04951	1.5
145.06488	2.8
147.03346	1.2
147.04402	11.6
147.08038	3.3
147.11688	1.1
148.04744	4.2
149.05901	1.4
151.03949	1.4
151.11162	0.9
152.04733	1.7
153.05504	1.9
155.07111	1.1
156.05746	1.8
157.06429	1.3
159.04477	0.9
159.08057	6.1
160.05270	2.1
161.05986	10.6
163.03850	0.9
165.06949	1.1
167.07037	100.0
168.07449	0.8
169.06511	1.3
171.08075	2.1
172.05260	1.8
175.07539	22.9
176.04694	1.1
177.05476	1.9
178.07787	1.7
184.05197	1.4
187.05910	2.0
187.07532	22.6
187.09151	1.5
189.07210	0.8
189.09038	3.6
190.07831	2.1
191.07063	7.7
191.08569	1.2
199.07518	9.2
201.12074	0.8
202.07808	1.6
203.08556	2.6
205.06642	1.3
205.08513	1.2
206.07286	3.1
207.08124	0.9
209.08076	2.9
209.15347	1.2
215.08572	1.8
216.09190	0.9
217.08441	1.7
218.07321	2.5
219.08047	2.6
221.09543	3.1
225.69566	0.8
229.06708	1.4
229.14287	0.8
231.08102	2.2
232.08871	1.3
233.09544	3.9
234.06769	2.7
235.07500	2.3
243.08023	1.4
246.06807	1.5
247.07568	1.5
249.09102	5.6
250.09749	1.3
251.07053	1.5
259.07529	1.1
260.08344	1.4
261.09155	4.9
263.06995	2.4
265.08752	0.8
266.09314	1.0
275.07108	1.6
277.08551	2.3
278.09348	1.7
281.11725	8.5
284.12927	1.8
285.13132	2.5
288.07941	0.8
289.08554	5.7
290.09399	1.7
291.10196	2.1
293.11801	3.3
294.08908	1.5
294.80789	0.7
306.08926	1.4
307.09561	1.6
309.11270	8.2
310.11932	1.0
311.09387	1.1
321.11160	10.0
322.12106	1.2
325.14331	1.3
326.11499	2.0
341.06976	1.4
341.13831	17.5
343.70328	0.8
353.13852	12.9
387.14731	0.9
533.21295	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	533.1288
Annotation	Kaempferol 3-(3'',4''-diacetylglucoside)
Peak:m/z	Relative Intensity
53.03738	0.2
53.03942	2.3
55.01859	0.5
55.05495	0.4
56.96564	0.3
57.03419	0.6
61.02909	0.7
65.03934	0.2
67.01846	0.3
67.05488	0.6
68.99776	0.7
69.03069	0.3
69.03423	4.2
69.07035	0.7
70.06572	0.7
70.21553	0.4
70.21949	0.4
71.01353	0.3
71.04974	1.3
72.08141	0.2
73.02902	0.3
76.35600	0.2
79.05505	1.1
80.51517	0.2
81.03410	15.0
81.07033	0.6
84.08127	0.3
85.02899	6.5
86.09673	0.4
91.05469	0.6
93.07020	0.4
95.04935	0.4
95.08597	0.6
97.02878	3.3
97.06533	1.5
97.10125	0.2
99.04440	2.1
103.03923	1.0
105.03379	0.5
105.07024	0.8
107.04954	0.7
107.08578	0.2
109.02872	11.0
109.10126	0.5
111.00779	0.9
111.04397	0.4
115.03918	0.7
115.82513	0.2
117.06980	0.3
118.67326	0.2
119.08566	0.6
120.08107	0.2
121.02860	3.2
121.06448	0.4
121.10125	0.3
127.03909	9.4
131.04877	0.2
131.08577	0.3
133.02835	0.6
133.06537	0.2
133.10110	0.4
135.04417	0.3
137.02304	1.0
137.05930	0.3
137.09569	0.7
145.02841	0.3
145.04951	0.5
145.06378	0.4
145.10162	0.2
147.04373	0.9
147.11661	0.2
148.07590	0.6
149.09740	0.2
153.01817	4.2
157.06483	0.5
159.11613	0.3
161.02396	0.2
161.06029	0.3
163.03882	0.8
165.01825	1.9
165.09178	0.3
168.31522	0.2
169.04951	0.9
171.04338	0.4
173.02361	0.2
183.02953	0.9
185.05962	0.7
187.06013	2.5
189.06639	0.4
203.10658	0.2
213.05420	1.4
229.04878	0.3
229.07068	3.1
231.06519	0.9
240.90987	0.4
241.04909	0.9
247.08049	0.9
258.05170	0.9
259.06091	0.5
259.09637	1.0
283.10577	0.3
287.05466	100.0
288.05807	1.8
295.10718	0.5
299.05475	0.8
307.03000	0.2
311.05460	0.2
325.07028	0.3
339.08978	0.3
349.07181	0.5
353.06491	0.3
377.06482	0.5
395.07520	0.8
437.08609	0.7
492.88089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35675	0.1
55.05512	0.4
56.05030	0.5
58.06630	0.5
60.08160	6.5
60.37652	0.1
67.05504	0.7
68.76967	0.1
69.03419	0.2
69.07040	0.3
69.15263	0.1
70.06583	0.6
71.04974	0.2
71.07371	3.2
71.60212	0.1
79.05481	0.4
81.03413	0.4
81.07050	0.6
84.04467	0.2
84.08133	0.3
85.02894	0.4
86.09699	31.4
91.03957	0.1
91.05476	0.5
93.07045	0.5
95.04963	0.4
95.08586	0.2
97.02876	0.2
97.06514	0.2
98.98454	2.6
102.62009	0.2
104.10738	3.8
105.07014	0.4
107.04972	0.3
107.08594	0.2
109.02845	0.2
109.10159	0.2
116.98562	0.2
119.08582	0.2
121.06473	0.2
124.99996	22.2
126.79977	0.2
127.03880	0.2
131.08540	0.3
133.10097	0.3
143.01019	0.6
184.07327	100.0
185.07764	0.3
250.57654	0.2
267.09540	0.2
275.19919	0.2
361.92218	0.2
391.24362	0.2
514.29462	1.2
532.30396	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	533.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92675	0.2
53.03943	2.0
55.01856	0.4
55.05504	0.5
57.03429	0.4
61.02911	0.6
62.29374	0.2
65.03911	0.3
67.01844	0.5
67.05489	0.7
68.99789	0.6
69.03427	9.3
69.03808	0.5
69.07049	0.6
69.27740	1.9
69.28172	0.7
70.06594	0.5
71.01330	0.3
71.04972	1.1
72.08143	0.4
73.02901	0.5
73.19016	0.2
79.05492	0.7
80.90017	0.2
81.03416	13.6
81.07072	1.2
83.04971	0.3
84.08128	0.5
84.33288	0.2
85.02904	7.8
86.09702	0.5
91.05481	0.7
93.07037	0.9
95.04977	0.6
95.08607	0.4
97.02277	0.5
97.02892	8.5
97.06525	1.5
98.97578	0.3
99.04445	2.5
103.03939	0.3
103.05513	0.3
105.03391	0.4
105.07023	0.5
107.04937	0.4
107.08553	0.4
109.02876	18.7
109.06532	0.4
109.10140	0.3
110.07142	0.3
111.00806	0.7
114.89886	0.2
115.03928	0.9
117.07002	0.2
119.08601	0.6
120.08054	0.3
121.02862	2.4
121.06528	0.3
123.04422	0.2
127.03915	11.0
129.01898	0.3
129.10120	0.3
131.08492	0.4
133.02869	0.5
133.10124	0.5
135.04417	0.3
135.08020	0.8
137.02315	1.0
137.05954	0.5
137.09619	0.8
139.03909	0.7
145.04948	1.0
145.06543	0.4
145.10106	0.3
147.04425	0.6
147.11731	0.4
151.03880	0.2
153.01813	3.9
157.06409	0.4
157.10086	0.2
161.06029	0.3
163.03877	0.7
163.11185	0.2
165.01831	2.1
167.07069	0.2
169.04971	1.5
171.04407	0.4
171.11761	0.3
183.02898	0.9
185.05986	0.6
187.06017	7.4
191.14307	0.8
203.06886	0.3
213.05382	1.3
215.07071	0.5
217.12399	0.4
229.05000	0.4
229.07042	1.3
231.06503	0.5
235.47137	0.2
240.90909	0.7
241.04955	0.8
247.08174	1.0
257.04410	0.3
258.05142	1.4
259.05994	0.5
259.09644	0.7
269.04446	0.3
276.90955	0.3
281.91119	0.5
282.91824	0.3
285.03812	0.3
286.04758	0.6
287.05487	100.0
288.05801	1.3
306.91928	0.6
315.04965	0.3
324.93304	0.3
329.06439	0.7
339.34943	0.3
370.31961	0.3
395.07617	0.3
492.88303	1.3
533.26654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67604	0.2
51.02375	0.2
51.55602	0.2
53.03936	0.7
55.01867	0.4
55.05524	0.2
56.05034	0.3
57.03431	0.6
61.02916	0.5
65.03938	0.8
68.99785	0.3
69.03426	3.1
70.06580	1.7
70.70013	0.2
70.70454	0.2
71.04987	0.4
71.07586	0.4
72.08141	0.6
73.02911	0.6
79.05479	0.3
80.11797	0.2
81.03423	2.9
81.07055	0.4
84.04487	0.4
84.08132	0.9
85.02896	4.2
86.09714	1.1
87.00822	1.3
89.08022	0.2
91.05473	8.9
93.07044	3.3
95.04956	0.8
95.08582	0.3
97.02876	1.5
99.04452	0.9
101.02364	0.2
103.03945	0.2
103.05469	1.9
105.01858	1.0
105.07048	0.5
109.02872	2.5
110.07158	0.3
117.01884	0.4
119.04936	16.9
120.08099	0.4
121.06495	26.2
127.03909	2.8
129.01801	0.3
129.10249	0.4
131.72382	0.2
136.07620	0.3
138.09134	2.6
145.04982	1.1
147.04398	100.0
148.04761	0.7
159.02893	0.6
160.07558	0.3
164.07045	1.5
189.05516	0.3
213.38498	0.2
231.06657	2.1
251.08728	0.2
273.07562	0.8
284.12787	29.3
300.14563	0.4
332.11356	0.3
386.14407	13.0
395.09518	0.4
413.10675	0.5
433.36411	0.3
532.18158	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	532.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60944	0.2
53.30872	0.2
55.01864	0.3
56.05030	0.6
58.06351	0.3
58.06627	0.7
60.08162	7.0
61.02913	0.4
62.61493	0.2
67.05502	0.7
69.03420	0.3
69.07056	0.5
70.06588	0.4
71.00410	0.4
71.00760	0.4
71.07368	3.5
79.05487	0.7
81.03413	0.3
81.07047	0.5
85.02884	0.3
86.09699	31.4
91.05470	0.7
93.07037	0.5
93.56547	0.3
95.08593	0.4
97.02877	0.2
97.06490	0.3
98.98454	3.5
104.10735	3.6
105.07033	0.6
107.08583	0.3
109.10140	0.4
119.08547	0.4
119.60661	0.2
121.10126	0.3
124.99993	22.0
127.03895	0.2
127.22870	0.2
133.10117	0.4
143.01031	0.6
168.93643	0.2
184.07326	100.0
185.07608	0.3
258.10971	0.4
267.08804	0.3
313.75085	0.2
316.53049	0.3
514.28699	0.8
532.30298	4.4
537.47992	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	530.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.2
55.01873	4.1
55.05506	21.1
56.64081	1.8
57.03430	18.3
58.94195	1.8
59.04988	2.6
65.03933	3.5
67.05505	30.5
67.05836	4.0
67.40549	1.7
69.03429	5.6
69.07052	12.3
69.45233	9.5
69.45655	6.9
70.06556	2.0
71.04977	5.8
79.05484	32.6
81.03413	88.9
81.06577	2.8
81.07051	40.4
83.04971	26.7
83.08154	1.8
83.08616	28.7
85.02893	36.0
86.09700	2.1
91.05471	50.3
93.07037	24.4
95.04959	35.4
95.08577	13.5
97.02895	7.0
97.06511	8.8
97.10174	5.0
105.07026	31.9
107.04921	10.2
107.08600	7.7
109.06513	7.1
109.10123	7.4
111.04426	3.5
111.08073	16.0
113.06031	3.9
115.05402	2.1
117.06966	2.3
119.08585	22.0
121.06499	2.3
121.10145	12.1
123.08072	3.2
129.07001	19.1
131.08560	13.1
133.06497	4.7
133.10115	15.2
142.07703	2.4
145.10118	3.2
146.97450	8.6
147.08040	4.3
147.11658	22.6
149.09628	6.0
157.10100	18.4
163.97733	7.4
164.97845	2.2
165.12718	5.1
175.11166	17.0
181.98737	3.2
186.74557	1.8
193.12228	77.1
195.67262	1.9
205.98784	9.5
211.13268	100.0
224.87794	3.0
225.88615	6.5
234.89899	23.7
235.90002	2.2
248.87840	6.5
250.89325	5.9
258.89960	3.1
265.91931	2.8
266.88992	9.3
267.15909	32.8
274.89401	2.4
276.90967	38.8
277.91049	2.6
285.16931	96.4
289.91797	9.5
296.95370	2.1
299.92661	4.9
300.91071	4.3
316.90314	2.3
318.91904	21.8
319.92154	3.2
331.92859	10.7
337.93753	3.2
341.93665	2.2
355.92804	5.4
361.93887	3.8
459.27469	12.8
476.61343	2.2
476.71280	2.2
477.28085	9.3
495.29541	36.3
506.89807	4.1
524.89972	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	530.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91560	5.8
52.71108	5.4
53.03945	5.2
55.05511	34.1
57.03423	8.9
57.07068	8.3
61.02916	11.3
61.14121	4.5
67.05170	7.5
67.05502	90.5
69.07052	22.1
69.45772	50.1
71.05000	8.8
71.08599	5.1
73.02934	6.6
76.27946	5.6
79.05068	6.1
79.05492	84.4
81.07058	100.0
83.04956	5.3
83.08627	8.0
85.02889	12.4
85.06543	8.2
91.04958	8.4
91.05476	91.3
93.07037	79.4
95.04957	17.8
95.08600	66.9
97.06525	13.5
97.10143	6.3
99.08086	9.0
105.07027	90.3
107.08592	50.0
109.10139	30.4
117.07006	29.6
119.08580	79.1
121.10129	56.1
123.11679	9.1
123.18698	5.3
129.06975	20.8
131.08569	48.8
133.10121	71.3
135.08018	9.9
135.11693	32.8
143.08565	20.1
145.10106	28.8
146.97443	5.4
147.11674	45.4
149.09616	9.7
149.13213	29.4
157.10091	19.1
159.11703	36.3
161.13225	76.7
163.11163	13.1
163.14841	16.6
169.81859	5.7
171.11668	38.5
173.13234	23.7
175.11241	5.3
175.14790	63.7
177.12732	8.3
185.13225	26.5
187.14746	8.1
189.12645	10.0
199.14789	23.9
205.98688	10.9
213.16383	8.8
225.88741	9.5
231.17322	7.6
231.21132	12.9
234.89908	17.3
241.19487	92.0
250.89238	6.9
259.20538	95.1
264.35092	5.3
266.88898	9.7
276.91016	33.9
277.21606	24.5
289.91809	5.7
293.19107	5.3
294.31171	6.0
318.91965	21.7
331.92886	10.9
333.24026	13.7
336.93036	5.7
351.25262	32.0
414.14145	7.2
469.14240	9.6
528.37860	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	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.1
55.01873	24.2
55.05505	35.4
57.03433	21.8
59.04994	6.4
61.02919	46.3
65.03943	4.6
67.05499	72.9
69.03433	30.8
69.07060	30.4
70.06578	8.1
70.45219	8.4
70.45610	6.3
71.01347	4.2
71.04977	6.6
71.74474	3.4
72.63515	3.3
73.02914	20.0
79.05485	66.2
79.10635	4.0
81.03415	24.4
81.07048	100.0
83.04961	18.2
83.08608	17.7
85.02901	45.7
85.06521	5.3
86.09686	3.9
91.03951	21.2
91.05470	57.3
93.07032	55.7
95.04949	31.5
95.08585	42.2
97.02899	38.0
97.03465	6.4
97.06520	55.8
97.10181	10.4
99.04431	6.5
99.08079	7.5
101.02341	6.2
103.03900	5.0
103.05434	5.2
105.07014	51.7
107.04964	13.4
107.08591	39.3
109.02829	7.1
109.06506	20.5
109.10158	22.6
111.04431	7.8
111.08067	8.8
115.03932	4.8
117.07015	15.1
119.08576	40.6
121.06500	12.3
121.10108	22.0
123.08051	7.8
123.11752	7.4
125.09634	10.4
127.03902	11.7
128.06166	3.6
129.05481	4.7
129.06999	12.4
131.08566	21.7
133.06493	5.1
133.10112	31.5
135.04507	4.2
135.05629	3.8
135.08035	9.0
135.11694	15.8
137.06055	3.6
137.09589	9.4
139.03889	4.1
141.06981	5.6
143.08594	7.4
145.06541	4.3
145.10130	21.2
146.97462	6.2
147.04366	4.5
147.11685	19.4
149.09589	21.8
149.13255	13.4
155.08562	4.2
157.10098	11.5
159.11667	17.7
161.05904	5.7
161.09647	4.6
161.13208	6.1
163.11212	13.6
165.12784	4.3
169.10068	5.7
171.10191	7.4
171.11612	6.0
173.05914	5.4
173.09566	4.8
173.11766	5.6
173.13228	11.1
175.11140	4.6
177.12761	9.0
183.11613	5.0
185.09554	4.5
187.07491	3.8
189.09282	5.1
189.11179	7.6
195.13782	6.5
199.07568	4.8
205.98743	6.0
213.09001	4.0
227.12666	9.0
229.14368	7.8
229.19545	5.2
234.89909	13.3
239.17943	6.4
241.08519	9.5
245.13997	4.6
247.20660	4.4
253.17995	4.0
257.18997	12.5
266.88785	7.0
267.15985	4.7
269.17429	12.5
275.20047	69.6
276.91074	18.9
293.21143	8.2
309.14713	7.4
318.92111	8.4
337.14117	20.0
349.23718	52.8
355.08136	5.1
355.15384	13.1
367.24667	35.6
391.24329	4.6
399.10632	4.3
463.87961	5.7
522.96417	3.9
529.20575	6.2
529.28754	10.2
529.36115	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	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01865	8.0
55.05508	20.1
56.96560	3.2
57.03426	11.0
58.78654	2.8
61.02923	17.4
67.05492	34.8
69.03426	21.4
69.07067	23.8
69.90842	13.5
70.06600	3.5
71.01343	4.4
71.05006	7.4
71.08620	20.8
72.59103	2.9
73.02906	9.1
79.05492	20.3
81.03429	28.6
81.07053	38.4
83.04987	8.3
83.08616	15.3
85.02896	23.6
91.03935	8.7
91.05487	19.8
93.07029	21.8
95.04962	17.3
95.08612	15.2
97.02887	20.9
97.06515	9.5
97.10144	14.3
99.08086	13.0
101.02380	7.8
103.03940	4.3
105.07027	16.4
107.04942	9.5
107.08571	16.6
109.02855	8.3
109.06503	5.0
109.10147	12.9
111.08067	5.4
115.03922	3.5
117.07004	9.4
119.08588	13.9
121.06476	4.8
121.10142	5.7
123.11718	3.8
125.09634	9.9
127.03907	10.8
129.06996	5.6
129.26732	2.9
131.08525	8.8
133.10135	9.4
135.08015	5.2
135.11658	4.5
143.08519	3.7
145.10123	4.1
147.11635	4.3
149.09604	5.0
153.15381	3.1
159.11632	3.4
163.11224	7.4
165.09155	2.8
173.11656	3.2
177.12733	6.0
179.29671	3.1
189.11191	7.6
193.12282	5.9
196.49113	3.4
211.13187	3.4
215.00201	2.7
225.88530	4.5
227.12729	3.9
229.07295	3.6
234.89902	7.7
235.13298	2.9
266.88919	3.5
269.10568	5.6
275.20004	16.0
276.91000	11.4
285.16739	4.8
287.11511	4.4
293.21106	100.0
313.03568	3.3
318.92001	7.1
331.15552	4.5
331.92917	6.4
349.16818	8.2
349.23773	16.0
367.17813	10.7
367.24799	16.3
398.16238	3.2
456.35095	3.3
481.89078	4.1
529.29291	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	528.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
55.05506	2.2
56.05022	2.4
57.03417	3.1
67.05483	5.8
69.03404	4.3
69.07054	4.4
69.77037	6.1
69.77454	4.2
70.06240	2.8
70.06586	34.7
71.04975	2.8
72.08153	14.6
74.06062	2.0
79.05476	5.0
80.04998	2.9
81.03402	6.7
81.04533	3.4
81.07051	5.0
82.06578	1.9
83.04964	2.0
84.04491	4.8
84.08132	15.2
85.02897	7.2
86.09702	18.6
91.05460	8.4
93.07047	13.6
94.06557	14.0
95.04967	5.7
95.07314	10.1
95.08584	4.8
96.08126	25.8
97.02871	5.0
97.06530	3.9
98.06031	3.0
98.21469	3.3
99.04417	1.9
101.07177	1.6
105.07043	3.9
107.04952	1.7
107.08598	4.0
108.04445	3.0
108.08101	13.6
109.02854	1.8
109.06450	2.6
109.08909	1.8
109.10146	1.9
110.06001	1.8
110.07202	3.6
110.09673	45.7
114.26459	1.8
118.06526	2.8
119.08533	2.8
120.08096	35.7
121.06467	1.7
121.10188	1.5
122.06049	2.9
122.07117	6.5
123.08073	4.9
125.13063	1.7
126.53776	1.5
127.03881	4.0
129.10211	6.3
130.06560	1.7
136.07520	8.0
138.05482	5.4
138.09131	57.5
140.08159	3.6
145.10144	1.9
146.05972	3.0
148.07544	17.8
149.09610	1.8
152.07045	2.1
154.08641	1.9
158.62383	1.5
163.11136	5.4
166.04970	2.7
166.08623	100.0
169.08603	4.4
193.12120	1.9
199.08786	2.1
203.10201	1.9
206.08107	2.2
211.08717	2.3
212.09358	2.2
213.10271	3.1
224.09407	2.1
225.10214	5.8
227.12248	3.0
239.11737	5.9
241.09761	3.0
242.10515	2.0
249.10025	1.7
253.07312	1.6
253.09741	6.4
255.11418	6.0
262.14496	3.2
265.09659	2.9
267.11316	8.5
268.12119	2.3
283.10834	6.4
287.05511	5.7
288.05338	1.9
295.10703	10.5
301.11789	45.3
313.11798	49.6
323.12320	4.1
327.09796	6.2
339.09503	3.0
353.16083	2.9
361.02457	2.1
402.82037	2.0
438.20404	2.5
448.18887	7.7
464.17908	6.0
466.19733	55.2
467.19946	1.8
492.17529	9.9
499.13144	1.6
516.58234	1.9
528.19281	1.6
528.27631	13.1
535.28479	1.6
549.73547	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	528.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
53.44987	0.1
55.01874	0.8
55.05506	0.2
56.96547	0.2
57.03149	0.2
57.03434	2.8
59.04984	0.6
60.04511	0.1
61.02639	0.3
61.02922	3.2
67.05475	0.3
69.03423	9.8
69.65469	1.0
70.06584	2.8
71.01340	0.6
71.04604	0.1
71.04982	2.1
72.04884	0.1
72.08142	0.3
73.02908	1.7
79.05474	0.3
81.03413	3.1
81.07035	0.2
81.50728	0.2
83.01316	0.2
83.04978	0.3
84.04494	0.3
84.08136	0.8
85.02899	9.6
85.05075	0.1
86.09695	0.6
87.04447	1.1
91.03946	0.8
91.05468	0.7
93.07059	0.3
94.06590	0.2
95.04942	0.3
97.02267	0.3
97.02884	4.4
98.21548	0.3
99.04439	2.3
101.02380	0.2
101.07088	0.2
105.07001	0.2
106.06540	1.0
107.04933	0.3
108.08115	0.4
109.02876	1.7
109.10207	0.2
115.03927	0.2
116.04954	0.2
116.98637	0.1
117.05495	0.4
118.05279	0.2
118.06512	0.2
119.04922	0.5
120.08109	0.4
121.06515	0.2
124.07565	0.2
127.03905	2.2
129.10228	0.5
130.06505	0.3
130.08592	0.2
133.07602	5.4
134.05969	0.3
135.09166	0.9
136.07549	0.4
145.04924	0.9
145.07591	0.5
146.06094	0.2
147.04417	1.6
147.09146	1.0
148.04697	0.2
148.06302	0.4
148.07568	0.4
157.07588	0.3
159.09242	0.2
160.08934	0.2
161.07094	9.1
162.07904	1.0
163.08653	15.5
164.09085	0.2
170.08301	0.2
173.07057	0.4
175.08656	6.2
176.05760	0.3
176.07056	0.3
176.09467	0.7
177.10304	0.3
186.07774	0.2
187.08627	0.3
189.06757	0.4
189.10191	0.7
190.07350	0.1
191.08176	0.8
199.08646	0.4
200.09431	0.4
201.10214	2.0
202.10966	0.4
203.08127	1.2
203.11763	0.7
204.06551	0.3
205.06087	0.5
205.09697	0.7
206.06816	0.5
207.07631	66.2
208.07936	1.0
213.10297	1.0
213.12029	0.2
215.08157	0.8
215.11737	1.2
216.08861	0.2
217.09735	0.8
219.07651	0.5
219.11218	0.2
227.08115	0.3
229.09683	1.4
231.11278	1.4
232.07130	6.7
237.08762	0.2
241.09697	0.8
243.07707	0.2
243.11282	0.4
245.09140	0.3
247.10741	0.5
249.08684	0.6
249.12317	0.4
259.10648	0.4
261.08746	0.5
261.12155	0.3
275.10150	0.3
279.13358	7.6
287.10175	0.6
292.13834	0.4
293.11478	0.2
305.11276	3.7
322.11639	0.3
323.12335	32.0
324.12549	0.5
366.12912	100.0
367.13193	1.8
378.12900	0.1
528.18073	6.2
528.31433	0.2
529.18073	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	527.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92129	0.7
55.05510	2.8
57.03430	2.6
57.07075	15.8
58.99584	1.2
63.02721	6.4
67.05511	5.8
69.07084	3.8
69.34710	8.3
69.78292	0.8
71.08633	10.9
74.01920	14.3
79.05495	2.9
81.07054	5.6
83.08605	2.3
85.10182	5.2
86.09718	2.7
87.10051	1.4
89.04255	100.0
89.06036	3.9
91.05502	1.9
93.07022	1.7
95.08605	5.3
97.10169	1.4
98.98463	4.2
104.10735	6.5
105.07033	2.7
105.11078	2.9
107.05299	20.0
107.08582	1.7
109.10159	3.2
111.11703	0.8
116.53481	0.8
119.08604	1.9
123.11639	1.2
124.99074	1.5
125.00002	31.0
125.09657	0.8
128.07016	0.8
131.08556	1.9
133.08585	1.8
143.01022	0.9
143.08524	1.5
145.10117	1.7
155.08565	0.9
157.10136	1.3
159.11818	0.9
163.01472	1.0
181.02594	1.1
181.10158	0.8
184.07359	4.1
185.07780	2.1
185.13268	1.0
186.07870	2.2
187.01863	11.3
199.03711	2.2
248.42018	0.7
261.66141	0.8
265.25528	0.8
311.29364	1.3
328.20337	0.9
341.30496	39.5
342.30658	1.3
435.32373	0.8
447.28616	8.5
527.31073	3.1
527.37512	8.1
534.08032	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	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.5
55.01865	6.5
55.05268	1.9
55.05512	26.7
56.96525	1.4
57.03432	9.7
61.02637	2.1
61.02926	24.7
65.03922	1.7
65.21684	1.4
65.43816	1.6
67.05164	2.9
67.05502	41.2
69.03429	12.7
69.07069	16.0
70.06580	4.3
70.14558	6.3
71.04980	5.7
72.08163	1.9
73.02927	8.0
79.05495	37.0
81.03408	11.1
81.07054	48.8
83.04987	8.9
83.08632	8.6
84.08164	3.2
85.02907	19.9
85.06525	4.1
86.09721	4.0
87.73677	1.5
91.03939	9.2
91.05479	59.2
93.07044	34.5
95.04955	13.0
95.08606	26.7
97.02899	13.4
97.06517	12.4
97.10153	5.5
99.04457	3.1
99.08098	3.5
101.02399	2.5
105.07034	43.0
107.04948	7.4
107.08582	20.5
109.02873	3.7
109.06528	14.3
109.10146	14.0
111.04482	2.3
111.08076	4.8
115.05450	6.5
116.06235	2.3
116.16068	1.8
117.07019	29.3
119.08578	28.9
121.06509	9.0
121.10145	9.8
123.04401	2.0
123.08095	9.7
123.11673	2.0
125.05982	4.0
125.09620	4.9
127.03920	4.8
128.06233	14.0
129.07005	19.1
130.07764	5.0
131.08565	58.3
133.06523	6.8
133.10146	20.3
135.08031	6.1
135.11674	5.5
137.09587	4.2
139.11185	3.8
141.07004	9.6
142.07751	4.4
143.08557	59.5
145.05045	2.2
145.06441	3.4
145.10123	52.7
147.08034	12.1
147.10600	1.5
147.11700	8.2
148.63010	1.6
149.09602	4.6
149.13220	3.5
151.07556	3.3
151.11147	2.2
155.08580	8.3
157.10109	17.0
159.08063	6.0
159.11694	16.6
161.09610	15.3
161.13235	3.9
163.03905	3.2
163.11212	6.5
165.09103	2.6
167.08592	3.3
169.10121	14.0
171.07953	2.2
171.11653	12.7
173.05972	2.0
173.09598	5.3
173.11804	2.6
173.13216	3.0
175.11220	9.5
177.12715	6.6
179.08458	2.2
181.10124	8.2
181.12265	2.2
183.11667	7.8
185.09688	2.2
185.13301	5.1
187.11172	3.4
191.10710	2.7
193.10033	1.9
195.11684	19.0
197.13268	3.4
199.11208	2.3
199.14812	2.5
203.12608	2.8
209.13377	2.2
213.12805	3.2
227.17914	6.8
237.16347	19.1
245.19046	5.5
255.17499	24.0
259.42142	1.8
273.18469	53.3
291.19504	3.9
347.22174	100.0
365.23077	4.9
399.09213	1.5
527.29230	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	527.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.9
55.01859	17.0
55.05499	25.3
57.03430	33.6
61.02924	28.4
67.05169	7.0
67.05504	100.0
69.03432	32.5
69.07075	22.9
69.74683	29.5
71.01376	5.0
71.04985	10.9
71.68473	4.3
73.02920	13.1
79.05489	53.0
81.03413	46.7
81.07056	89.4
83.04974	22.6
83.08607	15.4
85.02901	40.8
85.06545	6.8
91.03963	14.5
91.05476	73.8
93.07034	51.6
93.79062	4.9
95.04979	31.4
95.08611	38.8
97.02901	36.8
97.06522	11.1
97.10151	8.8
99.04456	10.8
99.08120	4.8
101.02384	8.8
105.07020	68.4
107.04935	25.2
107.08588	51.9
109.02893	22.1
109.06543	13.2
109.10152	67.3
111.04429	8.0
111.08096	4.7
115.03938	4.6
117.07027	18.1
119.08556	23.6
121.06517	11.0
121.10139	20.1
123.08068	8.2
123.11693	8.0
127.03918	15.6
129.05525	5.3
129.06982	5.0
131.08566	29.4
133.06500	13.4
133.10123	82.2
135.08078	15.8
137.09578	5.8
143.08566	7.7
145.04950	7.3
145.10112	11.9
147.08025	8.4
147.11662	4.9
149.09601	14.4
151.11188	61.2
157.06586	5.3
157.10100	6.8
159.08008	5.2
159.11807	5.6
161.09612	12.6
163.11174	9.9
169.12242	15.4
171.11693	7.5
173.04506	5.2
173.11769	10.2
175.11142	6.5
177.09137	6.0
179.10677	6.8
183.06409	4.6
183.11784	4.9
193.12242	9.8
193.93822	4.6
196.42339	4.8
211.13364	5.6
215.12848	7.9
253.14346	35.4
263.20010	6.2
273.18494	20.4
291.19528	15.9
317.89731	6.4
339.70361	4.7
347.22110	10.2
365.23199	35.6
388.66086	6.0
509.26831	5.8
527.27960	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
55.01871	7.2
55.05259	1.7
55.05510	29.7
57.03434	16.3
59.05000	2.4
61.02923	15.2
65.03947	2.4
67.05501	45.8
69.03427	25.8
69.07063	25.4
69.60901	9.1
70.06571	1.9
71.01344	4.7
71.04980	5.8
73.02911	10.6
79.05052	2.0
79.05492	30.3
81.03418	30.2
81.07053	33.6
83.01359	1.4
83.04974	10.3
83.08617	16.2
84.47134	1.2
85.02418	1.9
85.02901	24.1
85.03410	1.2
85.06535	2.5
90.94827	1.3
91.03970	7.1
91.05481	21.9
93.07041	21.7
95.04977	15.9
95.08602	15.9
97.02884	28.2
97.06532	7.0
97.10173	19.3
98.81519	1.1
99.04453	6.5
99.08089	1.9
101.02379	5.7
103.03928	2.8
103.05430	1.3
105.03366	1.5
105.07030	15.9
107.04955	9.3
107.08584	17.4
109.02874	8.7
109.06501	4.4
109.10152	20.7
111.04435	4.2
111.08066	5.6
115.03922	1.4
115.05450	1.6
117.07009	11.0
119.04906	1.2
119.08574	16.4
121.06505	4.1
121.10155	8.8
123.04446	1.9
123.08054	6.1
123.11705	1.4
125.09627	17.3
127.03919	13.3
129.05467	3.9
129.07019	4.5
131.04927	1.6
131.08568	10.0
133.06473	3.9
133.10132	8.9
135.08038	5.4
135.11717	4.0
137.05934	1.7
137.09622	3.5
138.19046	1.1
141.07068	1.4
143.08514	5.6
145.04967	2.8
145.06551	1.3
145.10095	6.9
147.08073	8.1
147.11668	6.3
149.09612	3.9
149.13161	1.9
151.07567	1.4
153.09140	2.2
157.10107	5.0
159.07997	1.6
159.11714	2.2
161.09633	2.3
161.13150	1.5
163.11160	5.8
165.09091	3.7
171.10173	2.2
171.11650	2.0
173.09619	1.7
173.11708	4.1
173.13182	1.7
175.11179	4.4
177.12758	2.5
181.12224	1.3
183.06512	3.2
185.13353	1.9
189.11224	12.1
191.10611	1.4
193.12236	10.2
195.11716	1.2
199.11267	1.3
201.07654	2.8
205.12236	2.0
208.09692	1.1
209.11642	2.2
211.13239	6.5
216.09305	1.4
223.13281	20.3
227.12804	5.2
227.17940	1.3
229.14349	3.2
235.13339	1.9
245.04770	3.9
245.13879	1.4
249.14850	3.7
255.17560	1.5
261.18335	1.4
267.15988	3.6
273.18491	20.4
283.15402	2.0
291.19516	100.0
292.20020	1.8
301.07336	2.3
325.14307	1.8
331.22198	1.5
347.22098	5.1
365.23218	27.8
383.24069	1.4
393.22696	2.5
402.69977	1.4
407.24164	1.4
435.23770	1.5
491.26450	1.9
495.16071	2.1
509.27026	2.6
527.28284	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63113	0.4
53.03952	1.7
55.01871	1.3
55.05510	2.0
57.03451	0.8
67.05498	14.8
68.35680	0.4
69.03421	3.0
69.07076	1.2
70.06590	0.8
70.52045	1.0
70.52437	1.4
71.04987	0.9
79.05460	2.5
81.03413	12.3
81.07046	9.3
81.14797	0.5
83.04998	0.9
85.02907	2.1
85.06531	0.6
91.05486	3.2
91.15008	0.5
93.07053	3.3
95.04970	2.8
95.08603	6.5
97.02888	3.7
97.06499	0.9
99.04421	2.4
99.08092	0.5
105.07012	0.8
107.08592	2.9
109.02872	11.1
109.06521	2.1
109.10150	41.7
111.04431	1.6
119.04925	2.4
119.08582	3.5
121.02864	0.7
121.10119	1.2
123.04472	0.9
125.05976	2.3
127.03907	6.2
135.08034	1.5
136.07590	0.5
137.09608	95.3
138.09982	0.9
147.04398	9.7
147.08051	1.3
155.10655	6.1
165.09103	100.0
166.09416	0.9
177.05534	0.5
183.10155	7.5
201.11209	10.3
244.09567	0.7
245.11633	1.2
263.12701	1.1
273.11111	0.9
291.12256	6.8
291.99170	0.5
309.13300	31.0
324.88501	0.6
327.14285	9.7
345.15170	1.1
355.82819	0.5
368.79568	0.5
375.90839	0.5
508.17407	0.7
526.25897	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	526.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79247	0.9
56.96552	0.9
62.53876	0.8
66.48954	0.9
70.06581	2.4
71.59222	0.8
71.59618	1.1
74.82175	0.9
75.48181	0.9
82.62920	0.9
91.05412	1.1
93.07027	1.3
103.05475	4.7
107.04968	0.9
119.04948	0.8
120.08094	100.0
131.04919	2.4
136.07639	0.9
147.04398	2.1
149.05939	2.1
158.52538	0.9
160.55493	0.8
166.08627	53.4
201.29433	0.9
219.01802	1.0
255.04436	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01859	2.6
55.05499	3.1
56.13734	1.0
56.96555	2.3
57.03429	2.6
58.33913	1.1
61.02930	1.7
65.03931	1.9
67.05168	1.5
67.05500	22.5
69.03429	8.4
69.07047	1.6
69.62029	8.3
70.06589	13.8
71.04980	3.1
72.08153	1.7
79.05487	4.2
81.03413	20.0
81.07042	12.2
83.04958	1.0
84.08136	2.7
85.02898	9.1
86.06062	4.6
86.09687	2.7
87.00809	2.2
91.05466	12.5
93.07026	5.6
95.01324	1.1
95.04955	12.2
95.08604	8.6
97.02899	8.3
97.06511	1.9
98.21496	1.5
98.97591	2.0
99.04444	4.2
102.05463	1.4
103.05439	1.6
105.07003	1.5
107.04961	5.7
107.08569	2.6
109.02873	12.3
109.06491	2.8
109.10149	43.2
110.10481	1.1
111.04357	1.2
112.07549	1.1
116.98660	2.2
117.06944	1.1
119.04926	18.4
119.08558	3.5
120.04456	4.7
120.08106	2.0
120.54757	1.0
121.06490	3.3
123.04424	29.5
125.02350	1.2
125.04703	1.2
125.05965	2.4
127.03934	11.0
128.07042	1.3
129.10217	1.9
134.99625	1.4
135.08034	1.4
136.07564	66.8
137.09607	97.8
145.04956	2.4
147.04390	11.6
155.10696	5.8
159.02954	1.4
165.05469	51.5
165.06889	2.6
165.09102	64.6
166.04965	13.7
178.08664	2.6
182.08118	100.0
183.08612	1.4
183.10120	5.1
201.11136	6.9
212.19812	1.0
213.12361	1.2
224.09213	7.0
244.09680	2.1
259.09692	1.9
272.09146	3.8
287.05359	1.9
297.10129	9.6
309.13199	6.2
315.11011	2.1
318.16965	1.8
321.01495	1.1
325.10623	1.2
327.14307	10.2
339.02689	2.5
339.10986	2.5
339.52576	2.6
340.02896	1.9
423.54669	3.4
424.04971	1.6
441.13959	1.6
472.19785	3.5
483.15524	1.5
490.20438	2.1
508.21814	2.2
526.22504	2.2
527.15234	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	525.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.3
57.07074	51.9
65.03952	3.1
67.05499	93.7
69.07064	15.6
71.04989	71.0
71.08624	36.3
71.61060	2.3
71.61450	3.4
79.05488	23.7
81.07052	39.9
83.04978	13.5
83.08620	12.8
85.10195	18.7
91.05473	26.8
93.07040	34.9
95.04939	3.3
95.08600	42.1
97.06536	6.9
97.10166	8.1
98.80492	2.3
107.08600	12.2
109.10148	80.4
117.07047	3.8
119.08571	20.5
121.10146	6.3
123.11710	4.9
130.60948	2.6
135.11671	20.3
137.09605	30.9
137.13245	3.1
141.32135	3.0
145.10141	10.3
145.93216	2.1
155.10710	6.6
163.11223	7.7
169.12177	11.2
173.11731	4.8
181.12231	6.9
187.13380	3.0
239.23639	7.9
271.15518	4.8
321.08667	2.5
339.29108	4.3
341.26956	3.7
398.61685	2.5
481.38803	36.9
493.28683	2.9
523.13397	3.1
525.41589	100.0
526.41815	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	525.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.9
55.05499	10.6
56.05033	3.4
56.96555	4.5
57.03410	3.5
57.07067	3.5
59.49828	3.3
65.67999	3.0
67.05490	20.9
69.03408	9.3
69.07063	15.2
69.40345	12.1
69.40770	16.6
70.06587	20.7
71.04980	3.2
72.08151	12.3
73.02918	3.4
78.89545	2.6
79.05472	14.1
81.03410	15.4
81.07047	36.0
83.04996	6.4
83.08627	4.8
84.04490	3.9
84.08144	10.4
85.02905	11.4
85.06552	5.9
86.09705	11.5
89.73447	3.8
91.05485	15.2
91.35042	3.2
93.07039	22.0
95.04959	10.0
95.08611	22.5
97.02899	9.1
97.06528	13.0
97.10168	4.0
99.04476	4.6
99.08088	3.4
105.07050	10.6
107.04973	3.4
107.08543	15.4
109.02877	4.8
109.06522	3.7
109.10136	16.8
111.08126	3.9
111.11771	3.0
117.07030	2.6
119.08571	11.6
120.08117	13.5
121.06487	8.3
121.10171	13.4
123.08085	3.3
123.11694	7.9
125.06032	3.2
125.09663	4.4
127.03944	6.0
129.10182	3.0
131.08507	3.2
135.08023	3.3
135.11707	7.5
136.07582	6.9
137.05937	5.2
137.09579	4.1
137.13281	6.4
143.08540	3.7
145.02806	3.2
145.04926	3.6
145.10143	5.5
146.97411	3.5
147.04300	3.6
147.08041	4.1
147.11575	3.1
147.29721	2.8
148.07544	21.5
149.09599	7.8
149.13258	7.1
157.10168	4.2
159.08185	3.9
159.11746	2.9
163.03862	4.3
163.11212	4.4
165.09087	4.1
167.14374	3.8
170.09686	3.0
175.14708	3.2
177.05431	5.1
188.07071	5.5
198.09135	3.5
203.05313	4.6
212.10634	14.2
217.43538	2.8
220.14069	2.9
226.08609	5.8
240.10275	7.1
252.08783	11.3
279.26797	3.3
286.10678	14.8
291.26709	5.6
305.16476	6.9
307.57498	2.9
309.27826	6.0
329.43997	2.8
345.24057	6.6
347.17645	7.2
347.25430	13.5
398.84012	3.5
407.19370	5.7
421.17502	4.5
435.18970	7.7
479.18234	15.8
480.18808	3.6
507.17584	11.2
510.35632	2.8
525.10797	3.1
525.23407	13.7
525.30383	100.0
526.30511	4.7
537.91687	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	525.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.5
57.03429	2.6
57.04516	1.0
57.07072	3.2
58.99615	1.2
60.08155	1.3
63.02721	5.3
67.05500	8.6
67.23678	0.9
68.21277	0.9
69.07066	12.9
71.08633	2.1
71.61051	1.4
74.01922	12.2
79.05494	3.8
81.07043	8.5
83.08612	9.3
86.09698	2.7
87.10021	1.5
89.04250	100.0
89.62878	0.8
91.05465	2.0
93.07082	4.6
95.08601	8.9
97.06538	1.3
97.10155	3.8
97.86635	0.9
98.98466	4.9
104.10746	3.6
105.07048	2.2
105.11084	1.6
106.27900	0.8
107.05282	20.1
107.08559	2.1
109.10154	3.3
111.08032	1.7
113.74920	1.0
119.08538	1.7
121.10133	3.6
123.11716	1.1
124.99998	36.8
131.08607	1.6
133.10112	0.9
135.11707	1.7
135.89439	1.0
145.10132	1.6
149.09599	1.0
157.10144	1.1
163.01587	1.9
169.10188	1.0
170.03244	1.1
171.11932	1.0
183.11685	1.3
184.07381	3.3
184.59534	1.0
185.07751	1.2
186.07825	2.3
187.01892	15.0
197.13213	1.5
199.03644	1.5
239.97499	1.0
240.09468	1.0
265.25232	1.2
283.40414	1.1
339.28922	36.6
382.67389	1.0
433.30853	1.0
445.27203	6.9
507.34943	1.5
525.29224	4.3
525.36700	6.4
548.73053	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	525.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.2
57.03430	1.7
57.07070	1.4
58.99589	1.0
61.01139	0.6
63.02705	2.4
67.05502	3.7
69.07064	4.9
69.27065	2.3
69.27493	2.7
71.04984	0.5
71.08633	0.9
74.01916	9.1
75.41615	0.5
77.29978	0.5
79.05492	2.0
81.07051	3.5
83.08623	3.0
86.09719	2.6
87.10068	0.7
89.04247	97.1
89.86269	0.5
91.05476	1.0
93.07060	2.3
95.08580	3.1
97.10166	1.8
97.14402	0.5
98.98458	13.6
104.10732	1.4
105.07026	0.8
107.05309	1.2
107.08582	1.5
109.10134	1.6
118.55582	0.4
119.08537	0.6
121.10137	1.4
124.99994	89.1
127.00455	0.6
129.06963	0.6
131.08505	0.7
135.11668	0.8
143.01051	2.4
157.10147	0.8
166.02676	1.1
169.10078	0.5
171.11681	0.5
176.94450	1.0
181.10126	0.8
183.11655	0.8
184.07327	4.3
185.07666	2.0
186.07762	1.7
187.01874	100.0
201.17935	0.5
339.28937	13.8
415.29688	0.5
433.30948	1.1
445.26987	1.0
451.32141	0.7
469.18729	0.5
507.34314	0.6
525.36340	4.5
525.81061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03983	0.4
55.05507	3.3
57.03437	1.5
57.07074	1.3
58.99576	0.7
59.04996	0.4
59.33624	0.4
60.08153	0.6
63.02714	2.9
67.05505	4.3
69.07063	5.4
69.46401	1.3
69.46828	3.1
71.08631	0.9
74.01922	8.4
79.05497	1.5
81.07056	3.5
83.08620	2.7
86.09704	2.5
87.10037	0.6
89.04250	95.4
91.05470	1.3
93.07053	2.5
95.04953	0.5
95.08622	3.2
97.10182	1.5
98.98459	13.2
105.07035	1.3
107.05282	1.2
107.08590	1.7
108.42652	0.5
109.10160	1.3
111.06782	0.4
119.08612	0.6
121.10154	1.9
122.45866	0.5
124.99998	100.0
126.00404	0.5
127.00444	0.6
131.08577	0.8
135.11635	0.6
143.01047	2.0
143.08511	0.8
145.10132	0.5
155.08447	0.6
155.76437	0.6
157.10092	0.7
166.02695	0.7
169.10164	0.9
170.30110	0.6
172.95181	0.7
181.10080	0.7
184.07301	4.9
185.07695	2.4
186.07738	2.4
187.01881	86.8
207.11572	0.6
223.14888	0.7
284.73685	0.5
331.23981	0.6
339.28922	13.3
340.29477	0.7
433.31027	0.9
445.26941	0.7
525.36334	3.6
543.10809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30033	2.2
51.95494	2.1
53.03934	3.3
53.33001	2.2
55.05507	18.5
57.03417	8.7
57.07074	35.5
67.05497	27.1
69.03423	2.9
69.07057	13.5
69.28484	13.3
69.28918	13.4
71.04995	4.1
71.08626	27.2
73.66442	2.1
79.05485	16.8
81.03414	37.2
81.07055	32.8
83.04971	5.6
83.08614	26.2
85.02890	24.9
85.10169	10.5
91.05469	22.9
93.07032	11.5
95.04949	14.8
95.08030	4.2
95.08604	32.1
97.10170	8.3
105.07014	15.5
107.04929	3.4
107.08592	5.4
109.10142	11.5
111.08077	8.7
112.54962	2.3
117.61521	2.3
119.08591	12.3
121.10140	6.0
123.11722	4.9
129.06993	4.5
131.08562	8.8
133.10109	8.6
137.13222	2.6
147.11687	7.9
149.09637	4.4
155.10764	2.5
157.10133	6.3
175.11143	7.8
193.12242	47.4
211.13275	49.8
239.23788	3.6
266.06485	3.2
267.15851	9.3
309.92462	2.7
313.27396	7.4
473.74539	2.7
505.39221	5.3
523.31488	4.6
523.39899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3709
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05496	0.5
56.05037	1.2
57.03432	0.7
57.07065	2.8
58.06584	1.3
59.07371	0.4
60.08158	16.0
67.05483	1.0
69.07056	0.9
69.29580	0.5
69.29974	2.6
70.06612	0.2
71.07365	7.3
71.08613	1.6
81.03400	0.5
81.07045	1.0
83.08608	0.8
85.10168	0.9
86.09697	51.0
91.05453	0.2
93.07018	0.3
95.08604	1.2
97.10169	0.4
98.20773	0.5
98.98463	4.0
104.10734	100.0
105.11041	0.3
108.58530	0.3
109.10130	0.5
119.08605	0.3
121.97200	0.2
124.99992	27.9
163.01566	0.8
166.02672	0.3
184.07323	98.8
193.12299	0.3
196.83934	0.3
238.49828	0.2
258.10974	1.2
293.67624	0.3
314.27795	0.3
341.30569	1.5
344.38791	0.3
396.60956	0.2
428.09711	0.2
506.36014	9.0
524.37061	27.6
525.37378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3712
Annotation	PAF C-16
Peak:m/z	Relative Intensity
55.05500	0.4
57.07058	1.1
58.06592	0.5
60.08159	6.0
65.88054	0.3
66.37729	0.3
67.05495	0.5
69.47479	0.6
69.47885	2.0
71.07362	2.5
71.08598	0.5
81.07039	0.5
86.09702	26.5
93.58159	0.3
95.08615	0.7
98.20675	0.6
98.98457	3.0
104.10730	2.8
105.59833	0.3
109.10160	0.4
125.00000	19.4
184.07330	100.0
185.07719	0.5
197.99324	0.3
258.10934	0.4
314.27719	0.6
429.60162	0.4
506.35608	0.8
513.88568	0.3
524.37006	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	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	19.7
57.03433	17.9
57.07074	53.7
67.05496	32.3
68.63556	5.8
69.07059	15.4
70.73809	11.3
70.74149	13.7
71.08635	33.3
71.14651	6.0
72.79165	5.5
79.05482	17.4
81.03408	100.0
81.07059	30.1
83.04943	7.5
83.08623	26.1
85.02880	9.0
85.10166	17.2
91.05484	18.9
93.07047	12.6
95.04961	36.5
95.08598	35.9
97.10163	8.0
104.10729	6.8
105.07022	16.6
107.08596	7.2
109.06524	6.0
109.10146	15.2
111.08098	8.9
119.08587	21.1
121.10098	8.3
146.02388	7.0
147.11615	8.5
149.09572	7.1
157.10152	7.2
175.11143	10.1
193.12224	65.3
211.13246	9.7
217.98924	5.9
239.23764	6.5
267.15869	82.5
304.72049	7.2
313.27307	71.3
387.70547	6.0
422.97559	7.7
505.38626	52.6
523.39453	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	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01558	1.0
51.48378	1.0
53.03945	2.7
55.01861	2.1
55.05503	15.0
55.67518	1.0
57.03421	5.9
57.07071	43.3
59.42197	1.3
67.05497	25.8
69.03410	1.9
69.07062	12.1
69.58038	6.0
69.58461	3.0
71.04978	1.7
71.08628	27.1
79.05484	13.8
81.03413	40.7
81.07046	32.4
83.04966	5.8
83.08612	27.9
85.02901	21.9
85.10180	13.1
91.05474	17.4
93.07040	10.7
95.04963	16.0
95.08600	29.9
97.02817	1.2
97.06556	1.7
97.10162	7.3
98.20801	2.4
100.44064	1.1
105.07028	14.3
107.04945	2.2
107.08586	4.5
109.06488	1.9
109.10154	13.6
111.04492	1.5
111.08067	8.1
112.28677	1.1
119.08563	11.8
120.66792	1.2
121.10140	4.2
121.55315	1.3
123.11702	5.2
125.13258	1.6
129.07033	7.0
131.08592	6.6
133.10136	5.5
137.13237	1.8
142.07816	1.4
145.10136	1.6
147.08031	1.3
147.11708	10.5
149.09604	3.7
157.10121	7.6
162.87096	1.1
165.12703	2.2
175.11174	10.4
193.10875	0.8
193.12227	41.3
211.13278	54.4
211.85875	1.2
214.00304	1.2
235.08409	1.2
239.23695	5.5
267.13361	1.3
267.15839	7.0
310.99152	1.1
313.27444	3.7
324.34766	1.3
473.55499	1.1
505.38980	2.3
523.39923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01862	4.3
55.05307	1.2
55.05511	13.4
56.96553	1.4
57.03416	4.1
57.07062	4.5
58.03354	1.1
61.02916	2.4
65.03946	2.0
67.05167	2.3
67.05498	33.5
68.05370	1.4
68.99774	3.4
69.03423	18.9
69.07062	16.9
70.06564	3.9
70.17723	5.4
71.04957	2.6
71.08624	2.4
72.08150	2.3
73.02895	2.5
78.76553	1.4
79.05482	13.7
81.03414	15.1
81.07050	40.5
82.03781	1.4
83.04967	5.6
83.08618	9.7
84.08154	1.3
85.02903	16.7
85.06533	3.9
86.06057	5.4
86.09690	2.9
87.00834	7.7
91.05471	11.0
93.07035	20.7
95.04993	5.8
95.08598	100.0
97.02869	9.3
97.06517	4.7
97.10129	3.5
98.21362	1.8
99.04449	3.8
99.08046	1.3
103.05488	1.7
103.21303	1.5
105.01851	4.8
105.07014	15.1
107.04949	3.7
107.08585	17.7
109.02866	7.8
109.06503	8.9
109.10151	21.0
110.06022	1.1
111.04443	3.0
111.08083	4.9
111.11710	2.8
113.05978	1.7
115.03921	3.3
117.01811	2.1
117.06979	3.5
119.08556	11.2
120.08098	12.9
121.06467	2.1
121.10130	11.8
123.04446	2.4
123.08048	3.6
123.11703	14.2
125.09608	3.5
127.03895	8.4
129.07005	2.9
131.08554	5.1
133.10098	7.7
135.08051	5.1
135.11684	10.6
137.05969	3.0
137.09590	4.7
137.13205	7.2
141.09021	1.6
143.08540	2.5
145.04909	3.1
145.10123	6.4
147.08025	2.2
147.11678	5.0
149.09595	3.1
149.13283	9.5
149.85637	1.1
151.07484	2.9
151.11200	2.3
151.14801	1.7
153.09047	2.0
157.10130	2.9
159.02879	5.0
159.08054	1.9
159.11722	4.0
161.09583	2.5
161.13251	3.4
163.07599	1.5
163.11139	2.4
163.14828	5.1
165.09096	2.9
165.12686	1.9
169.10164	1.5
171.11684	1.9
173.13205	3.5
175.11140	1.7
175.14835	2.4
177.12807	1.8
177.16339	2.9
185.13329	2.6
187.14671	2.7
189.12769	1.4
191.10695	1.7
199.14871	1.9
209.11690	1.3
217.19431	1.5
229.11858	1.5
231.04948	3.0
239.14746	1.4
239.17833	1.7
257.18924	6.7
259.33264	1.4
287.27512	1.5
383.29279	4.6
390.58313	1.4
401.30457	3.6
419.31299	3.0
487.30365	4.1
505.31015	3.4
523.25116	2.8
523.32654	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	523.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01860	0.2
55.05259	0.3
55.05508	4.6
55.48152	0.2
57.03438	1.7
57.07064	0.5
58.99580	1.3
59.81103	0.2
60.08157	0.9
60.15635	0.2
61.01138	0.8
63.02708	5.8
63.58261	0.2
65.03929	0.5
65.83498	0.2
67.05498	12.9
69.07059	6.3
69.35640	0.9
69.36071	1.1
71.04980	0.2
71.07323	0.3
71.08617	0.2
73.01174	0.4
73.70413	0.2
74.01914	13.7
75.02689	0.8
79.05487	4.0
81.02131	0.2
81.07047	12.0
83.04977	0.4
83.08614	2.8
85.06531	0.3
86.09697	2.1
87.10031	0.8
89.04245	100.0
90.04577	0.5
91.05476	2.4
93.07034	3.8
95.04963	0.4
95.08595	9.0
97.06521	0.6
97.10162	1.0
98.21579	0.3
98.98453	5.2
99.08114	0.3
104.10729	3.7
105.07029	1.5
105.11057	1.3
107.05282	16.8
107.08594	1.6
109.06519	0.2
109.10138	3.1
111.08053	0.3
111.11694	0.3
119.08556	1.2
121.10137	1.7
123.11680	1.5
124.99992	34.3
126.00336	0.4
127.00419	0.4
127.16498	0.2
131.08514	0.3
133.10118	1.2
135.11668	1.0
137.13266	0.4
143.01035	0.5
147.11690	0.6
149.13234	0.5
151.14833	0.2
155.01064	0.4
161.13271	0.4
163.01547	1.4
163.14798	0.6
181.02597	1.0
184.07310	2.0
185.07718	1.2
186.07829	1.3
187.01877	13.1
193.25284	0.2
199.03641	2.3
245.22668	0.3
261.06003	0.2
263.23697	0.5
307.26297	0.6
319.26233	0.3
337.27328	29.7
338.27444	0.5
443.25534	6.7
505.27286	0.8
505.33932	0.5
523.28296	3.4
523.34906	1.1
526.13043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27915	0.2
51.86169	0.1
54.65713	0.2
55.05507	0.4
56.05013	0.4
56.67520	0.1
57.03429	0.2
58.06589	0.2
58.88756	0.1
60.08160	5.8
69.07061	0.6
69.35585	1.3
71.07367	3.1
81.07053	0.2
83.08629	0.2
86.09701	27.7
87.10042	0.2
93.07037	0.2
95.08594	0.2
98.98450	2.7
104.10733	2.8
104.80367	0.1
107.08582	0.2
124.99998	18.6
136.27707	0.2
136.34515	0.2
143.01033	0.3
148.75081	0.2
173.52327	0.2
181.57010	0.2
184.07330	100.0
185.07675	0.2
258.11014	0.2
339.28735	0.2
504.34531	1.0
522.35376	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	522.3549
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05505	1.8
56.05025	1.0
57.03423	0.6
57.07061	0.9
58.06594	1.5
60.08157	16.3
67.05480	1.3
69.07062	2.3
69.92391	1.5
69.92807	0.6
71.07365	6.4
81.07057	1.0
83.08603	1.4
86.09695	48.3
87.09404	0.5
87.10018	0.5
93.07019	0.5
95.08578	1.4
98.21375	0.8
98.98451	3.4
104.10732	100.0
105.11040	0.7
107.08585	0.4
109.10132	0.8
116.77843	0.4
121.10135	0.6
121.65572	0.3
124.99992	25.1
125.50489	0.4
133.71761	0.3
136.42378	0.5
154.94136	0.6
163.01526	0.4
168.90179	0.4
172.95219	0.8
184.07320	98.0
185.07607	0.6
190.96214	0.5
228.97816	0.4
258.11096	1.2
339.28958	0.8
445.27130	0.5
504.34421	8.5
522.35541	28.8
523.22858	0.7
523.35657	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	523.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.05500	2.7
57.03422	1.5
57.07094	0.3
58.99577	0.9
60.08156	1.7
61.01146	0.6
61.08485	0.4
63.02697	2.7
67.05495	5.7
69.07064	2.8
69.35053	2.5
71.07356	0.4
72.07696	0.4
74.01910	9.0
75.02688	0.3
75.07423	0.2
78.97305	0.2
79.05490	1.7
80.97397	0.3
81.06574	0.4
81.07047	5.6
83.04973	0.3
83.08606	1.3
86.09692	7.1
87.09502	0.4
87.10025	2.8
89.04243	92.0
91.05479	0.7
93.07032	1.5
95.08593	3.6
97.06493	0.4
97.10147	0.4
98.98452	14.1
100.98900	0.4
104.10728	0.5
105.07017	0.7
107.05276	0.7
107.08558	0.6
107.17858	0.3
109.10152	1.4
116.99496	0.4
119.08548	0.8
121.10163	0.5
123.08040	0.3
123.11703	0.4
124.99987	100.0
126.00313	1.2
127.00406	1.6
133.10086	0.7
135.11580	0.4
137.91734	0.3
140.01057	0.3
143.01036	1.8
145.41876	0.3
147.11670	0.4
166.02625	0.5
174.80113	0.2
177.12274	0.2
184.07314	13.3
185.07680	6.3
186.07765	8.8
187.01863	81.4
187.08105	1.8
199.03638	0.4
249.66779	0.2
261.05554	0.5
337.27338	11.3
338.27551	0.5
369.13086	0.2
421.71796	0.3
443.25275	1.0
456.64243	0.2
469.43817	0.3
504.85699	0.2
505.33017	0.4
523.28027	0.7
523.34802	0.6
546.66174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01873	4.0
55.05507	12.5
56.05026	2.8
56.96571	3.6
57.03426	3.8
58.06591	2.2
60.04520	3.8
61.02913	3.0
67.05497	9.9
69.03434	22.4
70.06590	51.8
71.04982	18.5
71.58807	2.2
71.59237	2.6
72.08147	16.0
73.02886	2.6
79.05487	7.9
81.03405	14.4
81.07047	5.9
83.04980	8.0
84.04494	7.6
84.08146	25.1
85.02895	30.9
86.09697	8.3
87.00813	8.4
87.05570	3.3
91.05489	9.3
93.07025	8.4
95.04968	10.3
95.08611	25.7
97.02895	19.6
97.06529	24.4
98.97568	2.4
99.04440	50.1
102.05564	2.9
103.05476	3.3
105.01860	10.2
105.07043	8.1
107.05006	2.5
107.08568	14.6
109.02889	12.6
109.06510	12.2
109.10117	2.7
110.07129	4.0
115.08666	2.9
119.04943	7.4
119.08574	6.7
120.08125	5.7
121.06468	14.0
123.08060	96.8
125.05988	4.1
125.09612	4.1
127.03917	21.4
129.10207	11.7
131.04942	7.4
131.08542	5.5
132.05240	3.0
133.06366	3.4
133.10115	9.2
135.08052	63.9
136.07571	4.8
137.05977	6.5
137.09578	3.9
139.07564	9.4
141.09108	33.1
143.11813	3.1
145.04926	6.6
146.00734	2.3
147.04398	20.3
147.08122	2.4
147.11670	6.2
149.09625	22.4
151.03899	4.3
151.07521	6.6
151.11099	2.7
157.10120	3.9
159.02911	3.2
159.08067	4.6
159.11644	4.9
161.09586	16.4
163.03912	5.0
163.07550	17.0
165.09116	2.9
166.38818	2.2
167.07120	2.9
175.11171	18.1
177.09056	25.5
177.10394	2.6
177.12743	2.8
179.10693	19.5
193.12218	20.2
203.10605	11.6
210.11356	2.5
213.04054	2.9
221.11713	100.0
231.05092	4.2
239.12781	47.2
240.15508	4.4
402.85764	2.9
404.10751	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	522.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72593	2.6
53.03932	6.2
53.80752	3.0
55.01845	5.6
55.05504	7.5
57.03420	5.2
61.02907	2.9
63.09235	2.6
66.37413	3.1
66.47758	3.0
67.05505	13.8
68.36152	2.7
68.63846	2.7
69.03427	36.9
69.07054	3.3
69.99911	14.4
70.06577	5.1
70.64366	2.6
71.04987	10.1
76.02203	3.2
76.98320	2.7
79.05472	6.0
79.37427	3.0
81.03423	15.1
81.07037	11.7
83.04980	3.9
85.02897	20.1
85.06520	3.7
86.00642	2.8
91.05472	9.1
93.07041	7.3
95.04942	8.1
95.08601	60.0
95.09164	2.2
97.02883	8.4
97.06530	75.6
98.20745	5.7
99.04459	35.7
105.06997	9.3
107.08607	23.3
109.02859	11.1
109.06506	13.6
109.10194	4.2
111.04433	3.5
113.09625	3.0
115.05541	3.6
117.07003	5.0
119.08581	7.9
121.06514	11.7
122.02721	6.2
123.08055	81.2
125.05974	4.7
127.03912	25.1
131.08549	4.0
132.01147	12.0
133.10138	10.1
135.08057	60.8
135.09091	4.1
137.05939	5.7
141.09100	100.0
147.04414	4.3
147.11656	4.9
149.09584	10.1
151.07523	10.6
151.11206	4.5
159.11696	8.5
161.09595	20.2
163.07564	15.8
173.04434	27.9
174.05817	3.4
175.11185	11.3
177.09119	21.0
177.12732	8.1
179.10695	16.1
191.05573	4.0
193.12183	21.4
195.10042	4.9
200.07524	3.4
203.10681	9.0
205.12219	3.0
221.11728	33.0
224.22073	2.7
239.12816	29.7
254.23840	3.2
258.41888	3.3
262.73822	3.5
324.12570	3.1
342.13489	5.8
360.14847	5.9
365.15619	5.9
383.17053	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	521.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.05516	13.5
56.38581	1.7
57.03439	2.2
57.07077	30.3
62.17224	1.9
67.05504	21.3
69.07058	10.7
71.04987	2.1
71.08636	16.1
79.05489	19.9
81.03404	3.7
81.07057	21.9
83.04976	3.1
83.08614	13.7
85.10174	7.8
90.42850	2.1
91.05473	6.8
93.07048	28.8
95.04974	6.7
95.08041	3.7
95.08608	45.5
97.02872	2.2
97.10160	5.2
98.20618	3.4
99.04469	3.8
105.07018	5.8
107.04971	7.6
107.08598	19.9
109.06521	2.5
109.10180	10.2
117.07034	10.0
119.08564	6.5
120.76613	2.1
121.06528	5.6
121.10155	6.8
123.11666	2.7
135.11682	34.9
145.10098	18.0
146.03369	2.3
146.29799	2.4
163.11165	49.0
181.12234	11.6
227.12770	100.0
239.23793	2.9
267.16025	2.3
295.72952	2.2
521.38336	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01871	4.9
55.05511	21.0
57.03435	2.7
57.07074	45.9
65.03936	1.7
67.05502	30.7
69.03429	1.6
69.07061	16.3
71.04986	4.1
71.08274	2.2
71.08633	26.6
72.20763	1.3
79.05495	26.5
81.03425	9.0
81.07056	39.1
83.01337	6.0
83.04980	9.4
83.08615	23.5
85.02894	2.6
85.10181	20.8
85.81886	1.5
91.05470	13.7
91.63320	1.4
93.07037	28.7
95.04974	9.3
95.08604	42.4
97.02900	4.2
97.06527	3.4
97.10168	8.1
98.20708	3.9
99.04466	3.6
105.07030	9.7
107.04942	8.9
107.08583	20.1
109.06524	3.9
109.10141	12.9
109.26842	1.3
111.04444	2.3
111.08076	2.1
111.11764	3.4
117.06998	11.4
119.08586	8.3
121.06534	3.7
121.10132	9.5
123.08076	5.3
123.11707	5.5
125.05988	2.4
125.13250	1.5
125.64156	1.7
130.07776	2.5
131.08652	2.0
133.10130	3.1
135.08070	1.8
135.11678	23.9
137.13300	1.8
145.10121	15.0
147.08093	2.1
149.09531	1.5
151.19324	1.6
153.12717	3.2
155.08548	1.8
163.11185	38.1
173.09633	2.6
181.12251	7.1
191.10663	3.4
209.11754	8.3
227.12779	43.8
229.89464	1.8
239.23651	9.1
247.13385	1.6
392.41653	1.6
521.38373	100.0
522.38849	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	521.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03931	0.7
55.05515	3.9
56.96565	0.4
57.03440	2.0
57.07069	0.5
58.99568	1.2
60.08155	1.7
61.01139	1.1
61.08477	0.6
63.02437	0.5
63.02715	5.9
65.03950	0.7
67.05499	12.3
67.05865	0.6
69.03423	0.5
69.07063	3.7
71.07341	0.7
71.60612	0.5
71.88686	0.3
74.01917	13.7
75.02695	0.8
78.59641	0.3
79.05053	0.6
79.05489	8.5
81.07049	10.2
83.04975	0.5
83.08617	1.0
86.09704	3.6
87.10033	2.2
89.04247	100.0
90.69769	0.3
91.05478	4.2
93.07034	10.0
95.04983	1.6
95.08602	7.4
95.09159	0.6
97.06537	0.9
98.98463	5.5
99.08058	0.4
104.10730	6.8
105.07011	3.9
105.11052	3.0
106.11227	0.8
107.05289	16.3
107.08587	3.9
109.06509	0.6
109.10161	3.0
117.07027	0.8
119.08578	2.9
121.10118	3.3
123.11687	0.9
124.99994	34.7
125.09579	0.4
126.00362	0.6
127.00409	0.6
131.08562	1.6
133.10086	1.9
135.11699	1.5
137.09525	0.4
143.01018	0.9
145.10135	1.3
147.11681	1.1
149.13263	0.6
150.99687	0.3
159.11674	0.7
161.13269	0.8
163.01566	1.3
173.13377	0.4
175.14786	0.3
181.02632	0.8
184.07323	5.5
185.07660	3.1
186.07794	3.1
187.01878	10.8
187.08174	0.6
199.03633	2.1
243.21169	0.4
255.09283	0.3
261.05618	0.4
275.20087	0.5
292.19739	0.5
317.24796	0.6
335.25775	23.3
336.25946	0.6
441.23959	5.4
503.25705	0.6
503.32526	0.9
521.26862	2.8
521.33441	3.4
531.66711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.05500	1.3
57.03427	1.2
58.99583	1.0
60.08162	1.8
61.01148	0.7
61.08490	0.5
61.88132	0.3
63.02707	2.3
65.03918	0.4
67.05162	0.5
67.05496	5.8
68.17426	0.3
69.07050	1.4
70.86054	0.7
71.05009	0.3
71.07367	0.8
72.07700	0.4
73.01167	0.3
74.01915	9.2
79.05481	3.3
81.07039	4.9
83.04981	0.4
83.08620	0.4
83.50944	0.3
86.09695	9.2
87.10018	3.5
88.10338	0.4
89.04241	93.4
91.05474	1.7
93.07034	3.8
95.08599	4.1
97.06532	0.4
98.98449	14.8
100.98846	0.4
104.10699	0.6
105.07024	1.1
105.11113	0.4
107.05270	1.2
107.08594	1.6
109.10160	1.2
115.67917	0.4
116.99448	0.4
117.07001	0.4
119.08573	0.6
121.10114	1.0
124.99983	100.0
126.00298	1.6
127.00405	2.5
131.08539	0.7
133.10118	0.6
133.44225	0.3
135.11703	0.4
143.01025	1.7
145.10191	0.4
161.13223	0.4
163.01381	0.4
166.02649	0.4
184.07312	19.8
185.07669	9.9
186.07761	12.4
187.01860	82.4
187.08220	1.7
188.02150	0.4
199.03677	0.4
335.25772	11.1
441.23755	0.9
503.32617	0.6
521.26611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
51.24023	0.2
53.03936	0.6
55.01857	0.4
56.05034	0.4
57.03450	0.3
60.95811	0.2
65.03928	0.3
67.05490	0.2
69.03426	0.7
69.07068	0.3
70.06239	0.3
70.06591	3.7
71.06909	0.3
71.17493	0.4
71.34730	0.2
72.08144	0.9
77.03922	0.4
79.05484	0.7
81.03396	0.4
84.04495	0.7
84.08143	1.5
85.02905	1.0
86.09707	1.7
86.79311	0.2
88.04015	0.2
91.05470	1.1
95.04957	2.0
97.02878	0.6
102.04681	0.4
102.05497	0.4
103.05460	52.8
105.04476	0.2
105.07026	3.8
107.04925	0.5
109.02863	0.2
110.07156	0.4
111.04435	0.2
115.05468	0.9
116.07026	0.3
118.04156	0.2
119.04922	1.4
120.08121	0.6
123.04485	0.3
127.03841	0.4
129.10246	0.6
131.04918	100.0
132.05254	0.8
133.06480	3.0
135.74582	0.2
136.07573	0.3
137.05965	3.9
147.04419	2.1
149.02356	0.2
149.05888	0.2
151.03896	2.5
151.07503	0.3
159.08026	0.5
161.05968	9.0
163.07530	25.3
172.05194	0.2
175.07498	1.0
179.06985	0.5
187.07532	1.2
187.10695	0.4
190.04979	0.3
191.08687	0.2
191.10529	0.2
210.11253	1.0
213.12306	0.3
217.08522	0.3
251.10571	0.3
279.10022	0.4
291.10175	0.6
297.12119	0.3
311.12656	0.6
311.17902	0.2
313.08923	0.2
318.81839	0.3
323.12653	0.2
408.02634	0.2
471.01053	0.2
521.21204	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	521.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01874	0.5
55.05499	0.7
56.96536	0.3
57.03428	1.5
60.04517	0.3
61.02920	2.2
65.03930	0.4
67.05509	1.2
69.03075	0.5
69.03423	6.6
69.03799	0.3
69.07047	0.7
69.50867	1.4
69.51283	0.5
70.06586	1.6
71.01359	0.3
71.04977	0.9
72.08166	1.8
73.02917	2.6
76.07241	0.3
79.05467	1.0
81.03413	4.7
81.07056	1.9
82.06573	0.3
83.01330	0.3
83.04964	0.5
83.08614	0.4
84.04476	0.7
84.08128	2.7
85.02898	8.6
85.06499	0.3
86.06052	0.3
86.09708	1.6
87.00824	0.3
87.04459	0.4
91.03934	0.4
91.05482	1.1
92.02592	0.9
93.03376	0.9
93.07033	1.6
94.06542	0.3
95.04951	0.9
95.08593	1.4
97.02884	4.0
97.06509	0.9
99.04460	2.2
101.02406	0.4
101.04247	0.4
103.03912	0.5
103.05459	0.4
105.07016	1.5
107.08588	1.3
109.02868	2.6
109.06490	0.5
109.10151	0.7
110.07153	0.5
111.02660	0.3
111.08080	0.4
114.09167	0.4
115.03905	0.8
117.07012	0.5
119.08577	1.4
120.08083	1.1
121.02863	1.2
121.06520	0.4
121.10159	1.2
123.08045	0.5
123.11661	0.5
125.09631	0.3
127.03906	6.4
129.10204	0.5
131.08553	0.9
133.04961	0.7
133.10118	0.9
135.08029	0.7
135.11646	0.4
136.07553	0.4
137.02368	0.4
137.05984	1.3
137.09598	0.4
139.03894	0.9
140.10695	0.4
143.08545	0.4
145.04959	2.4
145.10143	1.3
147.11630	0.4
149.09586	0.3
149.13281	0.3
151.03874	1.3
151.07639	0.3
153.01820	7.2
154.08630	0.4
157.10143	0.3
159.11523	1.0
161.04533	0.6
161.13271	0.5
163.03903	0.6
165.01837	0.8
165.09003	0.3
169.10100	0.3
171.11707	0.3
173.13210	0.6
177.05475	0.5
179.03383	0.3
183.02902	0.3
185.13304	0.3
187.06000	3.9
187.07619	0.3
187.14888	0.5
189.04062	1.5
191.14262	0.4
198.11169	0.3
199.14803	0.6
201.05415	0.8
201.16393	0.4
203.03392	0.3
205.07095	1.2
205.15865	0.3
217.04959	0.7
218.05771	0.4
228.04156	1.4
229.04924	3.2
229.07076	0.4
231.02783	0.4
233.42880	0.2
245.04384	1.2
245.24672	0.2
246.05197	1.8
257.04431	2.6
259.09448	0.3
260.03204	0.4
261.07672	0.3
272.11377	0.5
273.03903	1.8
274.04684	4.1
284.03204	0.3
285.03943	3.7
287.05429	0.5
302.04181	12.5
303.04575	0.3
316.05975	0.3
317.06534	100.0
318.06876	1.5
329.06613	0.6
335.14655	2.2
335.78049	0.3
341.13840	0.3
355.08163	0.4
359.07828	0.6
383.07574	0.5
425.08707	0.6
467.31546	0.3
521.14026	0.3
521.25177	0.4
521.32214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1289
Annotation	Isorhamnetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.03945	0.8
55.01873	0.6
55.05490	0.1
57.03435	1.0
59.69975	0.1
60.04525	0.1
61.02923	1.7
62.64262	0.1
65.03942	0.3
67.05476	0.3
69.03423	5.8
70.06570	0.3
70.55582	0.1
70.64764	0.1
71.01345	0.2
71.04992	0.9
71.60159	0.1
72.08151	0.2
73.02911	2.6
79.05483	0.2
81.03410	5.3
81.07040	0.3
83.01334	0.2
83.04990	0.1
84.04498	0.1
84.08156	0.2
85.02897	8.4
86.06084	0.2
86.09705	0.4
87.04450	0.1
88.94060	0.1
91.05481	0.3
92.02600	1.1
93.03393	1.0
93.07005	0.1
95.04943	0.3
95.08591	0.4
97.02883	3.6
97.06550	0.2
99.00800	0.2
99.04436	1.8
101.02351	0.1
103.03957	0.5
105.07011	0.2
107.08615	0.3
109.02867	3.7
109.06522	0.2
109.10142	0.2
111.00774	0.2
111.08072	0.1
115.03911	0.5
116.10741	0.1
119.08557	0.2
120.08059	0.2
121.02851	1.0
121.06454	0.1
121.10154	0.2
123.04406	0.1
123.08109	0.1
126.03125	0.3
127.03905	6.7
131.04964	0.1
131.08623	0.1
133.02821	0.1
133.04959	0.8
133.10121	0.1
135.08089	0.1
137.02339	0.2
137.05977	0.2
137.28650	0.1
139.03894	0.9
145.04944	2.5
145.10088	0.1
147.04396	0.1
151.03917	0.8
151.07578	0.1
153.01813	7.6
159.11745	0.1
161.05977	0.1
163.03908	0.4
163.11183	0.1
165.01793	0.6
166.02594	0.1
173.05943	0.2
177.01762	0.1
177.05461	0.3
178.97012	0.1
183.02844	0.2
187.06003	3.9
189.05495	0.1
191.03314	0.1
200.04636	0.2
201.05496	0.8
203.03427	0.5
205.07034	1.1
214.18005	0.3
215.06906	0.1
215.18324	0.2
217.04991	1.0
218.05794	0.6
219.02902	0.2
228.04160	1.6
229.04938	3.5
231.02859	0.5
233.16614	0.1
239.03371	0.2
243.06541	0.1
245.04431	1.3
246.05215	2.0
247.02205	0.1
256.03635	0.2
257.04425	2.5
259.02011	0.1
260.03085	0.4
261.07684	0.3
271.05978	0.3
273.03897	2.0
274.04706	4.8
275.04932	0.1
284.03134	0.5
285.03906	4.4
286.04535	0.2
287.01715	0.1
288.06186	0.2
302.04184	12.9
303.04858	1.2
316.05807	0.2
317.06522	100.0
318.06860	2.3
329.06619	0.2
359.07654	0.2
425.08673	0.2
521.19751	0.1
521.32251	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	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14323	0.2
55.05510	1.1
56.03012	0.2
56.05027	1.4
56.96576	0.2
57.03422	0.4
58.06575	1.5
59.07372	0.2
60.08156	15.6
65.03925	0.3
67.05496	2.4
69.07069	1.0
69.38338	2.0
71.07365	6.4
79.05482	1.2
81.03384	0.2
81.07039	2.6
81.79712	0.2
83.08604	0.6
86.09692	49.4
87.10020	0.3
91.05477	0.7
93.07008	1.0
95.08593	1.9
98.98447	3.8
98.99035	0.3
104.10727	95.0
105.07011	0.3
105.11037	0.6
107.08564	0.6
109.10159	0.5
115.49719	0.2
121.10136	0.2
124.99987	29.1
132.10045	0.2
133.10120	0.3
143.01010	0.3
147.11729	0.2
151.01657	0.2
163.01540	0.5
184.07310	100.0
184.55609	0.2
184.57405	0.2
185.07591	0.4
258.11072	1.2
337.27219	0.6
443.25461	0.3
502.32849	7.3
520.33917	23.6
521.34204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53317	0.4
53.03930	1.2
54.76634	0.4
55.01865	0.8
55.05494	1.3
56.05017	0.8
56.96550	0.5
57.03424	1.0
57.07085	0.4
60.04502	0.6
61.02909	1.3
65.03938	0.5
67.05488	1.7
69.03425	4.7
69.07053	1.5
70.06590	2.5
71.04977	1.1
71.60181	0.7
72.08138	2.3
73.02898	1.5
74.06078	0.5
79.05466	1.4
81.03415	5.6
81.07053	2.7
83.04983	0.8
83.08591	0.8
84.04490	1.9
84.08128	1.9
85.02899	6.5
85.06528	0.8
86.09704	5.5
88.03988	0.4
91.05466	1.9
92.02630	1.0
93.03368	1.0
93.07056	2.0
95.04961	1.3
95.08590	1.6
97.02886	20.6
97.06505	1.1
99.04438	1.1
103.05441	0.6
105.01858	0.4
105.07005	1.9
107.04926	0.5
107.08588	1.7
109.02829	2.6
109.06528	0.6
109.10165	1.3
110.07098	0.5
111.04472	0.4
113.09691	0.6
119.04912	0.6
119.08603	0.9
120.08083	4.2
121.02859	1.2
121.06478	1.0
121.10128	1.4
123.04443	0.5
123.08042	0.7
123.11644	0.9
125.09597	0.6
127.03912	6.2
130.04988	2.9
131.08513	0.8
133.10132	0.7
135.08022	1.1
136.07628	0.6
137.02322	0.6
137.05965	1.9
139.03880	1.1
145.04968	1.0
145.10112	0.8
147.04401	1.8
147.11601	0.8
149.09567	0.6
151.03893	1.5
153.01816	11.5
157.10106	0.5
161.09616	0.5
163.03889	0.7
165.01880	0.7
167.06940	0.5
171.02905	1.8
175.11162	0.5
187.06001	4.2
191.10553	0.5
201.05501	0.7
215.10800	0.5
217.04973	1.3
228.04086	1.1
229.04916	3.3
231.02812	0.6
233.16483	1.0
245.04465	1.7
246.05247	1.7
249.84689	0.5
257.04471	2.3
261.15933	1.1
262.93561	0.5
273.03897	1.8
273.07547	4.4
274.04736	4.0
284.03098	0.6
285.03937	3.8
287.05582	2.2
302.04187	13.0
304.30197	0.5
317.06537	100.0
318.06860	0.6
429.05032	0.6
474.47552	0.5
520.32544	1.2
521.17108	0.6
521.31964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.05021	0.6
56.95865	0.1
57.03428	0.1
58.06629	0.4
59.07383	0.1
60.08154	6.6
67.05486	0.5
69.07036	0.4
70.06593	0.1
70.86152	0.1
70.86544	0.1
71.07362	3.3
79.05470	0.1
81.07038	0.6
82.10419	0.1
83.08633	0.1
86.09692	32.3
86.21260	0.1
87.10023	0.1
91.05457	0.1
93.07046	0.1
95.04855	0.1
95.08593	0.4
98.98448	3.4
104.10730	3.2
109.10118	0.1
124.99985	22.9
143.01028	0.3
155.93173	0.1
166.02635	0.1
184.07312	100.0
185.07732	0.4
258.10910	0.2
337.27258	0.2
470.61569	0.1
470.82022	0.1
502.32764	0.7
520.33844	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	520.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78379	1.7
52.83863	1.6
53.03938	8.0
55.01857	9.6
55.05500	11.6
57.03423	7.1
61.00087	1.8
61.02911	5.4
67.05470	4.0
68.99769	5.2
69.03066	3.3
69.03421	41.2
69.07056	5.8
69.83692	11.7
70.06583	16.7
71.04970	5.0
72.08138	6.0
73.02892	7.1
79.05473	4.1
80.58186	1.5
81.03406	37.0
81.07037	4.5
83.04967	10.1
84.04482	3.8
84.08115	4.2
85.02895	100.0
85.07632	1.7
86.06054	20.7
86.09685	8.8
86.15039	1.6
87.00816	38.3
89.23466	1.7
91.05511	4.1
93.07038	4.2
94.01166	1.7
95.04954	2.6
95.08578	7.3
96.08128	5.4
97.02878	41.5
97.06514	4.5
98.09681	11.8
98.21503	1.8
99.04455	23.8
101.06007	5.4
105.01855	62.1
105.07005	2.1
107.08581	4.4
108.08131	1.6
108.74295	1.6
109.02867	47.5
109.03591	3.6
109.06511	5.7
111.04430	15.9
115.03931	3.4
115.07553	3.0
116.10721	31.9
117.01814	2.5
119.04951	2.1
119.08587	7.9
120.08088	3.2
121.06531	1.8
121.10123	2.4
123.08034	13.6
127.03901	96.2
129.01837	5.3
129.05452	4.8
129.10231	2.6
131.08600	2.1
133.10065	2.6
135.08029	14.4
137.05930	2.0
139.07581	1.8
142.08661	8.2
145.04938	36.3
145.10126	2.3
147.02832	4.1
147.06560	1.9
149.09610	23.0
151.07509	12.1
155.07014	4.0
159.02888	15.7
164.10640	4.1
165.12750	4.0
169.97858	2.1
172.09557	2.2
173.09543	1.9
177.05467	7.6
177.09148	1.9
179.07031	5.3
182.15359	3.4
189.03966	2.4
190.12227	2.1
191.10641	28.9
193.12209	5.3
208.13336	3.8
212.16451	9.8
213.03918	7.1
219.10184	4.1
226.14412	17.1
230.17493	10.7
231.05016	35.7
237.11212	22.9
244.15469	4.9
249.06010	8.7
255.12321	3.0
309.62668	2.0
352.17520	2.7
358.22357	3.3
369.06293	1.8
370.18573	5.1
388.19608	31.4
406.20679	41.1
467.15414	3.5
502.26212	7.7
520.26807	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	519.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
55.05507	17.6
56.05020	3.0
56.96565	3.5
57.03415	3.3
57.07060	3.5
61.02917	4.4
65.03925	3.4
66.86404	2.0
67.05494	12.6
69.03423	9.7
69.07062	12.4
69.72557	15.5
70.06584	23.3
70.95847	3.6
71.04978	6.5
71.91431	2.1
72.08138	6.3
72.93768	10.8
79.05487	16.5
81.03415	12.4
81.07055	42.0
82.06570	6.4
83.04963	15.1
83.06115	2.1
83.08588	6.3
83.51982	2.6
84.04491	3.7
84.08124	8.5
85.02899	12.0
85.06528	8.8
86.06036	3.1
86.06902	2.8
86.09684	13.0
90.94822	7.4
91.05455	24.5
93.07032	35.1
95.04955	14.0
95.08598	41.4
96.08105	3.8
97.02861	10.7
97.06517	6.8
98.21523	2.5
99.04445	3.8
99.08060	3.2
103.05427	6.4
105.07024	69.9
107.04951	2.6
107.08585	39.5
107.88943	2.4
109.02880	5.7
109.06528	7.9
109.10145	20.3
110.06029	4.9
110.07130	2.5
111.04422	5.1
111.08064	6.1
113.05963	2.7
115.05454	4.6
116.10684	2.4
117.07027	11.8
119.04875	3.8
119.07776	4.2
119.08577	56.5
120.08099	5.4
121.02824	3.1
121.06485	8.3
121.10145	28.8
123.04472	2.8
123.08072	4.3
123.11681	8.3
125.09608	3.9
126.09145	4.6
127.03910	4.8
128.06197	5.9
128.96329	5.7
129.07030	14.2
129.10251	5.4
130.04967	3.5
130.07732	5.0
131.08560	55.4
132.95811	3.3
133.06470	5.1
133.10130	36.6
134.99698	2.7
135.08057	6.7
135.11700	10.9
136.07535	3.2
137.02667	2.3
137.05965	17.0
137.09570	4.3
141.06976	6.0
142.07727	15.4
142.08702	2.8
143.08551	40.0
144.09325	5.9
145.06473	4.9
145.10112	78.3
146.97345	4.1
147.04370	4.2
147.08031	7.5
147.11688	25.6
148.07684	2.4
149.01305	4.9
149.05968	4.4
149.09573	6.2
149.13249	9.3
151.07491	2.7
153.07005	4.4
153.09125	2.4
154.08643	34.2
155.08646	19.9
156.09296	11.0
157.10118	45.3
158.10844	4.4
158.97333	2.8
159.08092	5.2
159.11688	48.9
161.05975	10.1
161.09586	9.9
161.13229	17.7
162.96889	3.7
163.07521	3.7
163.11192	3.7
163.14804	4.9
164.98573	3.6
164.99907	3.3
165.12810	3.0
166.97891	2.7
167.08554	3.7
168.09354	7.5
169.10107	35.1
170.10875	9.1
170.97408	2.7
171.11667	38.1
172.03946	4.2
172.09677	7.8
172.98961	4.6
173.09749	4.6
173.13245	49.3
175.07516	7.8
175.11169	9.4
175.14815	19.4
177.05505	3.5
177.12773	3.7
177.16405	13.2
180.09407	2.3
180.99405	3.5
181.10214	5.2
182.10924	2.6
183.11682	44.4
184.12349	3.2
185.09634	3.5
185.11588	4.2
185.13235	62.3
187.07527	6.8
187.11290	4.1
187.13115	3.5
187.14803	49.3
188.98378	2.5
189.12656	11.2
189.16339	11.3
191.14337	8.0
193.10092	2.1
193.12207	3.0
195.11555	4.5
197.13234	18.9
199.01964	2.3
199.11246	2.9
199.14767	37.7
201.12683	11.0
201.16403	14.1
203.14307	15.6
204.06543	9.3
205.15829	41.0
207.01089	4.6
207.13756	2.6
207.17506	3.9
209.13342	2.6
209.15480	2.4
211.14935	4.4
213.09010	2.6
213.12791	4.9
213.16354	10.2
215.14296	9.5
215.17932	7.5
217.15897	18.1
219.13748	5.9
219.17461	6.6
221.15359	8.4
227.03687	2.9
227.17868	2.3
228.15901	4.9
229.16075	7.6
231.13844	3.7
231.17407	3.3
233.15430	3.0
235.16895	4.1
239.17999	3.7
243.13773	4.1
245.15634	2.6
247.14841	2.7
252.09297	13.6
263.06833	2.2
265.05225	26.4
265.08008	3.6
266.05426	3.5
267.09253	3.3
269.12274	3.1
283.06253	100.0
283.09225	3.6
284.06631	9.5
297.11331	3.0
301.07288	24.5
302.07648	2.4
306.07806	6.0
316.13681	4.7
317.14166	4.5
324.08838	2.9
334.14987	10.0
335.15298	9.6
339.08853	23.5
357.09912	21.9
357.13800	3.9
371.27325	3.1
383.27435	3.1
389.28262	9.0
391.29913	12.0
393.27808	4.0
401.28403	13.0
403.29886	9.9
407.29279	11.0
409.30988	2.7
419.29370	20.2
421.30942	8.4
425.30527	3.0
435.28790	6.4
437.30542	20.0
447.28738	7.2
453.29874	10.5
459.36819	2.2
465.29968	42.7
475.21603	2.7
483.30853	6.7
487.21338	4.7
501.13568	10.8
519.17511	7.7
519.25421	43.3
532.84204	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	519.3322
Annotation	Jaligonic acid
Peak:m/z	Relative Intensity
53.03935	3.1
55.01876	2.5
55.05508	14.4
56.05016	1.7
56.96561	2.4
57.03432	4.6
57.07072	4.6
58.69546	1.8
65.03952	2.3
67.05505	20.0
69.03427	9.7
69.07065	11.5
70.06586	12.0
71.05001	5.8
71.22198	2.9
71.22542	2.2
72.08147	6.5
79.05479	20.4
81.03409	10.2
81.07055	39.5
83.04979	13.3
83.08603	5.9
84.04501	2.4
84.08134	7.4
85.02901	13.0
85.06551	3.9
86.09699	9.7
87.00828	4.7
91.05465	22.0
93.07047	30.0
95.04973	9.8
95.08604	36.5
97.02898	5.2
97.06543	12.1
97.10178	5.2
98.06894	1.9
99.04447	4.0
101.06038	5.2
103.05463	1.6
105.01854	3.9
105.07031	41.8
107.04961	2.3
107.08591	28.5
109.02866	4.1
109.06521	5.3
109.10165	14.9
110.07170	2.0
111.04416	2.2
111.08086	6.4
111.97933	1.8
115.05461	1.5
116.73086	1.6
117.06990	9.8
119.04939	2.1
119.08578	50.4
120.08114	4.2
120.08918	2.9
121.06512	6.9
121.10145	32.0
123.08069	7.2
123.11691	13.0
125.09605	2.8
127.03920	6.9
129.07062	5.1
129.10184	3.6
130.07855	2.2
131.08569	29.0
133.10132	33.2
135.08084	7.4
135.11671	12.5
136.07568	2.0
137.05991	11.7
137.09636	7.2
141.20993	1.8
142.07790	3.3
143.08551	10.7
145.05005	2.1
145.06429	2.0
145.10112	39.9
147.08043	6.6
147.11673	31.3
149.09619	5.5
149.13240	11.0
151.07588	2.4
155.08514	2.3
156.09351	5.8
157.10126	9.5
158.10895	3.8
159.08011	3.4
159.11671	29.4
161.09561	9.4
161.13257	21.4
163.03903	5.4
163.11194	9.6
163.14810	3.9
165.09148	3.3
165.12776	5.4
167.06972	2.0
169.10129	3.4
170.10846	1.8
171.11693	11.1
173.09616	3.0
173.13257	30.9
175.11203	11.1
175.14822	26.2
177.05437	3.6
177.12733	13.0
177.16338	12.9
178.04988	4.6
179.03438	2.0
179.10817	1.7
182.10876	2.1
183.11737	4.8
185.13306	12.3
187.07541	2.2
187.11200	5.6
187.14821	46.5
189.12732	13.7
189.16414	4.9
191.14352	7.5
193.12259	4.9
193.15967	1.9
195.11678	1.8
197.13260	3.1
199.14774	10.9
201.12779	7.9
201.16367	4.7
203.14299	24.1
205.15866	100.0
206.16197	2.2
207.13799	12.4
213.16319	4.1
215.14322	8.3
215.17781	3.1
217.12288	2.4
217.15977	8.2
217.19508	9.8
219.13812	9.8
221.13362	2.1
221.15388	4.2
223.13036	3.4
223.16966	3.9
231.13872	3.4
233.15364	22.5
235.13287	8.6
235.16884	9.7
235.20592	2.9
247.13298	3.4
249.12660	1.6
249.14738	8.9
253.18105	2.3
253.21687	4.5
259.09705	2.7
277.14120	2.1
279.15924	6.6
321.24106	2.1
395.29541	2.0
407.29431	13.7
409.31033	3.5
419.29474	4.8
425.30667	4.2
435.29053	5.0
437.30554	15.6
441.29977	8.1
453.30020	19.7
455.31851	4.0
465.30164	8.2
471.30927	4.8
473.32635	4.4
483.31378	13.2
489.32126	3.3
519.18524	3.1
519.32288	5.6
520.18140	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	519.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11509	1.2
53.03941	1.9
55.01862	2.7
55.05506	12.9
56.96573	2.2
57.03430	4.1
57.07066	3.1
59.04995	1.5
65.03939	2.8
67.05496	20.1
67.75211	1.2
69.03433	8.0
69.07063	14.0
70.06575	6.3
71.04977	6.4
71.59801	1.5
72.08146	2.1
79.05096	1.8
79.05490	14.8
81.03405	7.6
81.07053	33.4
83.04983	11.9
83.08604	5.8
84.08131	4.0
85.02901	12.3
85.06537	3.4
86.09696	5.5
87.00806	2.0
91.05469	20.8
93.07039	26.0
95.04974	7.4
95.08600	36.4
97.02888	4.3
97.06515	11.4
97.10162	3.6
99.04462	3.1
99.08076	1.8
101.05989	3.3
103.05460	2.7
105.01839	2.9
105.07022	47.5
107.04912	2.1
107.08582	29.9
109.02881	3.2
109.06503	5.2
109.10143	15.8
110.07166	1.9
111.08076	5.2
117.07018	7.6
119.08569	55.8
120.08061	1.7
121.06509	6.9
121.10134	29.6
123.08046	5.1
123.11684	12.5
125.09624	2.9
127.03901	6.3
127.11195	1.6
129.06975	4.9
131.08559	34.3
133.06497	2.4
133.10123	26.4
135.08032	7.2
135.11674	13.3
136.07628	1.8
137.05931	8.7
137.09610	4.6
137.13190	2.6
141.06970	1.8
142.07747	2.1
143.08527	10.3
144.09409	1.6
145.05008	1.9
145.06480	1.6
145.10120	37.0
147.04434	1.7
147.08032	7.4
147.11681	32.3
147.43315	1.2
147.85664	1.8
149.09581	7.8
149.13225	10.3
151.07495	2.4
151.11201	2.8
153.06934	1.5
155.08533	3.6
156.09369	3.2
157.10144	11.5
158.10970	2.3
159.08072	2.1
159.11681	35.2
159.12987	1.8
161.09608	6.2
161.13246	24.0
162.81969	1.4
162.90660	1.4
163.03943	1.5
163.07504	2.5
163.11150	6.7
163.14786	5.2
165.12741	4.1
169.10149	3.4
170.10867	2.3
171.07976	1.9
171.11681	9.5
173.09689	2.7
173.13263	33.6
175.07555	1.6
175.11238	7.6
175.14807	22.1
177.12744	12.4
177.16356	14.9
179.10681	1.9
179.14339	2.3
183.11688	3.6
184.02916	1.5
185.13229	11.0
187.11205	2.9
187.14812	49.8
189.12746	10.6
189.16347	6.5
191.14256	8.6
191.17851	1.8
193.12236	5.4
195.13805	1.6
197.13292	4.6
199.14844	12.1
201.12750	5.0
201.16359	4.4
203.14294	19.7
203.17963	2.4
205.15866	100.0
207.13785	9.3
209.15344	2.7
211.14816	3.7
213.12781	2.3
213.16307	2.7
215.14291	4.3
217.12195	2.1
217.15892	6.4
217.19452	12.8
219.13786	7.6
219.17358	2.7
221.15335	4.6
223.13373	3.1
223.16934	4.4
227.14345	1.5
229.15941	1.9
231.13791	6.1
231.17368	2.4
233.15347	23.7
235.13225	8.1
235.16856	9.6
235.20540	4.4
245.15369	2.1
247.13257	3.0
249.14871	13.0
249.18533	1.8
253.14479	1.9
253.17960	2.4
253.21675	4.6
261.14868	3.4
265.14355	3.1
267.15955	2.2
269.38620	1.5
271.22617	2.2
277.14249	3.7
279.15656	7.1
389.28326	2.6
395.29584	2.6
401.28412	2.2
407.29419	14.8
409.31082	3.8
419.29294	6.9
425.30463	5.7
435.28918	4.0
437.30527	17.0
441.30072	6.2
453.29926	21.6
455.31503	5.6
465.30066	9.0
471.30957	8.0
473.32709	5.1
483.31070	13.7
489.31708	1.9
498.77939	1.7
501.32065	2.4
519.18024	2.6
519.24774	2.9
519.32819	13.7
520.32434	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50198	0.3
65.58182	0.3
69.44942	0.5
69.45344	2.0
70.06583	0.3
72.00351	0.3
72.93780	0.3
78.61451	0.3
85.02934	0.3
89.65282	0.2
95.04961	0.3
104.65916	0.2
154.08641	0.4
203.05312	0.7
259.07938	1.0
265.05249	0.6
275.91791	0.3
283.01471	0.4
283.06323	2.3
283.15009	0.3
301.07495	0.4
307.19257	0.3
339.08664	0.4
357.09940	0.6
357.18787	2.4
459.22153	0.6
469.20285	0.3
487.21561	0.8
519.24103	100.0
520.24261	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	519.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
59.68787	0.3
59.84444	0.3
67.05483	0.4
69.07076	0.3
70.06585	1.2
70.84603	0.6
70.84940	0.5
72.08144	0.6
73.84362	0.3
79.69621	0.2
81.03415	0.7
81.07049	0.6
81.69842	0.3
84.04494	0.5
84.08127	0.5
85.02892	0.9
86.09692	1.2
91.05450	0.3
92.94737	0.3
93.07047	0.6
95.04953	0.3
95.08598	0.6
97.02872	0.5
97.06537	0.5
105.07034	0.7
107.08579	0.4
109.10124	0.5
111.08160	0.3
119.08625	0.3
119.59097	0.3
126.96275	0.3
127.03912	0.4
129.10204	0.5
131.08553	0.3
137.06017	0.3
143.15561	0.3
146.97527	0.3
149.09683	0.4
159.11722	0.3
189.57999	0.3
223.55383	0.3
263.31909	0.3
265.05219	0.4
272.73862	0.3
283.06326	1.8
357.09811	0.5
357.18634	2.9
459.21771	0.5
469.20605	0.3
487.21429	1.1
501.22424	0.3
519.24097	100.0
520.24524	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	518.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71498	0.1
55.05492	0.1
55.51752	0.1
56.05023	0.6
58.06312	0.1
58.06618	0.5
59.07388	0.1
60.08155	6.7
60.18348	0.1
67.05499	0.7
69.07066	0.1
70.06577	0.2
71.07363	3.3
71.12299	0.1
71.12650	0.1
79.05485	0.3
80.97417	0.1
81.07050	0.5
82.78254	0.1
85.69476	0.1
86.09694	33.7
87.10016	0.1
91.05431	0.2
93.07039	0.3
95.08594	0.3
98.98449	3.3
104.10728	3.2
105.07083	0.1
107.08578	0.2
107.88789	0.1
109.10139	0.1
121.10143	0.1
124.99987	23.6
126.00319	0.1
130.40874	0.1
132.71706	0.1
143.01039	0.3
163.01512	0.1
166.02591	0.1
184.07314	100.0
185.07671	0.5
258.10947	0.3
335.25827	0.2
500.25592	0.1
500.31348	0.8
518.32355	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	518.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83206	0.2
55.05502	0.9
56.05033	1.3
57.03410	0.3
58.06570	1.3
59.07380	0.3
60.08160	17.4
65.03930	0.2
67.05499	2.5
69.07059	0.8
69.27600	2.2
70.06598	0.3
71.07370	7.2
79.05483	1.8
81.07056	1.8
83.08617	0.4
86.09699	53.8
87.10034	0.2
91.05473	1.2
93.07040	1.7
93.90006	0.2
95.08607	1.4
98.98459	4.7
104.10736	99.1
104.43824	0.2
105.07027	0.8
105.11065	0.6
107.08588	0.7
107.59156	0.2
109.10169	0.3
119.08584	0.6
121.10150	0.7
124.99996	29.3
125.24218	0.2
128.61041	0.2
131.08569	0.2
133.10178	0.3
143.01077	0.4
143.77806	0.2
152.10245	0.2
159.11623	0.2
163.01567	0.5
184.07326	100.0
185.07674	0.5
240.09914	0.3
258.10962	1.4
268.71631	0.2
326.51721	0.2
335.25861	0.9
344.46848	0.2
408.35318	0.2
441.24048	0.5
500.31290	7.9
501.31390	0.4
518.32416	21.1
519.32690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03937	0.4
53.03950	0.6
55.01875	1.5
55.05509	6.8
56.05036	2.1
57.03429	1.9
57.98798	0.7
58.99581	17.7
60.04525	0.7
61.88506	0.5
65.03941	0.5
66.45365	0.4
67.05504	5.8
68.05034	0.5
69.03425	3.4
69.07069	2.4
69.82272	1.1
69.82675	2.0
70.02947	0.5
70.06588	13.8
71.04990	2.2
71.81406	0.5
72.08154	3.2
74.06068	0.9
75.23110	0.5
76.02222	100.0
76.03982	3.2
78.51533	0.4
79.05493	7.2
80.05007	1.7
81.03411	20.9
81.07054	7.3
82.06585	1.8
83.04969	8.9
83.06100	1.0
83.08610	5.8
84.04496	30.3
84.08129	3.7
85.02908	3.3
85.06536	2.7
86.06061	1.9
86.09692	6.9
86.99039	4.6
88.02211	1.8
91.05467	7.0
93.07046	4.3
95.04960	6.8
95.08595	2.7
96.08128	0.7
97.02874	2.6
97.06542	1.4
97.10147	1.1
98.06052	0.7
98.09669	0.7
102.05508	1.7
103.05483	0.7
105.07027	5.9
107.04973	0.8
107.08595	3.2
109.02885	0.8
109.06519	1.5
109.10179	0.9
110.06049	1.4
110.07132	0.9
111.04435	1.1
111.08064	2.3
113.05963	1.0
114.03750	1.3
116.01666	24.8
116.10725	0.9
116.98595	0.5
117.07000	0.7
119.08547	4.5
120.08102	0.7
121.02832	0.5
121.06482	1.0
121.10147	1.9
123.08036	1.0
126.09132	0.7
127.03913	0.9
129.07034	2.7
129.10205	2.5
130.04994	14.7
131.08575	2.8
132.10158	0.6
133.06509	1.0
133.10104	2.1
135.08063	0.5
136.07607	0.8
137.06027	0.6
142.03217	11.5
142.07735	0.9
144.01135	11.9
145.10117	1.3
146.02695	0.5
147.11639	4.2
149.09612	1.3
151.03889	4.2
154.08603	7.0
155.07007	0.8
157.10120	3.7
162.02188	44.0
163.03899	0.6
163.11137	0.6
165.12717	1.0
170.02686	4.0
172.09627	2.4
175.11194	3.4
177.03258	0.8
177.05508	0.5
178.04974	3.1
179.04834	82.5
187.05296	2.4
193.12216	13.5
199.05287	0.7
206.04503	3.3
211.13271	20.7
215.04745	2.6
228.15933	2.8
233.05890	24.4
237.02693	0.7
245.05913	4.3
258.14612	0.5
272.06738	0.6
276.16052	1.0
286.14694	0.5
287.05612	0.8
290.08020	2.0
291.06567	3.4
294.16867	0.6
303.04971	1.0
304.15210	0.6
308.09073	47.6
316.13824	1.8
322.16431	0.9
334.14960	2.2
356.96484	0.6
374.97867	4.1
377.01810	1.0
387.95111	1.1
388.95828	1.1
391.98187	1.7
392.99170	3.0
407.47021	0.4
452.98877	0.7
500.20349	0.9
518.01337	1.4
518.26038	1.9
519.02142	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	517.3886
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.14431	1.1
53.03935	1.6
55.01868	1.2
55.05258	1.4
55.05509	17.2
56.68860	1.1
57.03424	3.8
57.07064	2.6
65.03934	1.0
67.05501	34.6
69.07066	15.9
71.04995	1.7
79.05489	25.6
79.05950	1.3
79.74110	1.3
81.07053	41.4
83.04990	2.7
83.08606	10.2
85.06554	2.2
91.05470	21.6
93.07040	31.5
95.04980	3.4
95.08602	31.0
97.06516	3.1
97.10168	4.5
99.08055	1.3
105.07027	29.5
107.08587	20.0
109.06493	2.8
109.10143	15.5
111.08107	1.7
111.11692	1.3
113.00009	2.7
117.07001	9.5
119.08583	30.3
119.09437	1.8
121.10125	15.4
123.08072	1.5
123.11698	4.5
128.06198	1.5
129.06967	6.3
131.08549	20.6
133.10123	18.2
135.08080	1.4
135.11690	11.0
143.08517	5.7
145.10126	19.8
147.11679	12.4
149.13263	7.0
152.51802	1.1
155.08559	3.9
157.10136	6.3
159.11685	14.0
161.13258	7.6
163.11226	1.6
163.14851	3.4
169.10098	3.3
171.11682	8.0
173.13261	11.1
175.11201	1.2
175.14815	5.0
177.16470	1.4
183.11737	2.8
185.13264	5.6
187.14810	6.3
189.16454	2.6
197.13329	3.1
199.13193	1.3
199.14832	5.6
201.16472	2.6
211.14894	1.7
213.16440	2.2
215.18001	1.8
225.16417	2.1
241.17995	4.1
259.20657	4.0
261.18466	1.3
273.22055	1.7
285.22318	1.8
299.23682	2.0
301.25433	1.6
311.12939	1.4
313.25220	2.3
315.23221	1.5
327.26865	1.5
333.24338	2.3
387.28821	1.3
405.30161	4.6
407.27939	1.5
407.33203	4.6
419.31882	1.6
425.34171	15.6
443.35562	6.1
459.34872	2.4
461.36465	1.5
499.37772	20.6
517.38892	100.0
518.39044	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	517.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.05507	14.8
56.96534	1.4
57.03434	5.4
57.07059	0.9
58.71863	0.9
67.05499	33.7
69.07062	15.3
71.04986	2.0
71.08610	0.9
73.33871	0.9
76.11418	1.0
79.05488	24.7
79.21412	0.9
81.03409	2.4
81.06571	2.1
81.07052	40.8
83.04996	1.9
83.08615	9.7
83.50377	1.0
85.06546	2.7
86.09714	1.1
86.58903	1.1
91.05472	21.5
91.06004	1.5
91.55683	1.4
93.07035	31.4
95.04970	3.8
95.08601	29.2
97.06528	1.9
97.10152	5.1
101.81261	1.0
105.07018	23.0
107.08582	18.9
109.06528	1.8
109.10145	12.4
111.08098	2.3
113.00040	1.7
117.06991	7.4
119.08566	25.4
121.10134	15.3
123.08025	2.0
123.11720	4.5
125.00006	1.5
129.07001	5.4
131.08548	18.4
133.10121	16.7
135.08064	1.3
135.11678	8.7
143.08527	5.9
145.10106	14.2
147.11662	15.1
149.09644	1.3
149.13287	6.3
155.08505	1.6
157.10184	5.1
159.11664	14.2
161.13234	6.7
163.11316	1.2
163.14856	3.0
167.08754	1.3
169.10141	3.2
171.10480	1.1
171.11644	5.7
173.13235	9.6
175.14743	4.6
183.11728	3.1
184.07359	2.1
185.13287	3.7
187.14830	4.3
189.16435	2.4
191.14276	1.5
197.13322	2.2
197.90143	1.0
199.14841	3.4
201.16423	2.6
205.15973	1.3
209.13335	1.0
211.14868	1.3
213.14777	1.5
213.16527	2.1
215.18065	1.9
219.17561	1.9
225.16451	2.2
227.18112	1.3
241.17828	2.5
241.19910	1.2
245.19028	1.7
252.79536	1.1
255.19736	1.0
259.20633	4.3
261.18546	1.2
261.22000	1.2
263.20349	1.2
271.20651	1.3
273.22263	1.6
277.21765	1.1
280.53885	1.0
287.23599	1.7
289.21667	1.5
299.23798	2.3
301.25311	1.8
303.23209	1.3
313.25278	2.4
325.42957	1.0
331.26376	1.9
333.24420	1.9
361.27625	1.0
369.27716	1.2
405.30258	3.3
407.33072	6.0
419.31714	1.3
425.34106	15.1
443.35388	6.3
461.36353	1.5
499.37909	21.1
517.38898	100.0
518.39282	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3885
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03955	1.8
55.05500	14.5
57.03429	5.4
57.07074	2.0
67.05501	28.1
69.07063	14.9
70.18923	2.9
70.19319	1.8
71.04972	1.5
79.05489	19.7
81.07050	34.1
83.04998	2.0
83.08614	8.9
85.06535	2.2
91.05478	17.8
93.07030	23.6
93.41550	1.1
95.04961	3.9
95.08604	25.7
97.06534	3.1
97.10172	2.9
99.08115	1.4
105.07031	21.3
107.08578	18.6
109.06583	1.8
109.10150	12.0
113.00053	2.6
117.07005	7.4
119.08556	20.8
119.09330	1.4
121.10131	15.8
123.08113	1.8
123.11743	3.9
125.09673	1.7
129.07001	3.9
131.08554	15.7
133.10103	16.2
135.08089	1.9
135.11650	8.9
143.08548	6.6
145.10121	13.8
147.11671	12.0
149.13274	4.5
155.08592	2.4
157.10132	6.1
159.11681	11.8
161.09619	1.6
161.13228	6.6
163.14809	2.2
169.10095	2.3
171.11737	5.4
173.13272	8.4
175.14885	2.6
183.11737	3.4
184.07376	2.4
185.13295	5.4
187.14844	3.6
189.12869	1.6
189.16307	1.4
197.13393	1.4
199.14911	4.0
201.16525	2.7
213.16393	1.4
219.17398	1.5
227.17877	2.3
241.17798	2.1
259.20630	3.4
273.22162	1.4
275.20099	1.5
285.22177	1.4
287.23642	2.0
299.23648	2.5
301.25259	1.6
313.25372	1.5
327.27008	1.5
331.26361	2.2
333.24326	1.5
375.29413	1.3
405.30093	2.1
407.33170	5.3
419.31821	1.6
425.34164	11.3
443.35425	6.5
499.37894	18.2
517.38818	100.0
518.39209	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	517.3884
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03940	2.4
55.01864	1.6
55.05507	14.9
56.11147	1.0
57.03435	5.6
57.07063	2.1
65.03922	1.4
67.05498	36.3
69.07064	16.9
71.04987	2.3
73.06487	1.0
79.05488	24.0
79.05950	1.4
81.03414	1.4
81.07050	39.9
83.04968	2.2
83.08617	9.2
85.06533	2.5
91.05476	22.7
91.05926	0.6
92.05780	1.0
93.07035	30.0
95.04970	4.3
95.08596	33.3
97.06528	3.2
97.10162	4.1
97.81214	1.0
99.08097	1.3
103.05414	1.1
105.07018	27.8
107.08587	20.7
107.15199	0.9
109.06588	1.5
109.10145	13.4
111.08054	1.3
117.06991	8.3
119.08579	24.8
121.10131	16.5
123.08074	1.7
123.11703	4.7
125.09627	1.5
129.07024	4.0
129.72859	1.0
131.08554	16.8
133.10123	19.7
135.11670	10.0
141.06972	1.3
143.08600	5.4
145.10118	17.2
145.90237	1.0
147.11688	13.1
149.09578	1.2
149.13254	5.8
155.08574	1.7
157.10100	5.7
159.11687	12.6
161.13257	8.7
163.11179	1.6
163.14812	3.2
169.10156	3.6
171.11649	5.9
173.13222	9.6
175.14828	5.0
177.12675	1.0
183.11693	3.4
185.13268	6.1
187.14799	5.0
189.16364	1.9
197.13242	2.0
199.13179	1.8
199.14912	3.2
201.16389	3.4
211.14813	1.9
213.14601	1.1
213.16418	2.6
215.17819	1.0
219.17520	1.3
225.16367	1.6
227.18073	1.3
231.17477	1.3
241.18037	3.3
245.19046	1.8
259.20569	3.4
263.20090	1.3
285.22110	1.7
287.23816	2.3
289.21725	1.4
293.21127	1.1
299.23795	3.2
301.25183	1.6
313.25287	2.0
327.26883	1.4
331.26868	1.3
333.24493	1.8
343.26468	1.2
347.25632	1.2
405.30103	1.9
407.33054	4.3
412.77121	1.0
419.31415	1.2
425.34106	16.3
443.35385	6.5
461.35849	1.2
481.36990	1.8
499.37860	19.2
517.38818	100.0
518.39026	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	517.3886
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03933	2.3
55.05504	11.1
57.03421	3.6
57.07063	1.2
60.86113	0.8
61.15028	0.8
65.03919	1.3
67.05501	23.8
68.77525	0.8
69.07066	10.0
70.43569	0.9
71.04963	1.6
79.05482	15.9
81.07055	26.6
83.08609	7.9
85.06511	1.3
86.09711	1.2
91.05477	14.1
93.07037	22.6
93.21709	0.9
95.04956	2.5
95.08601	20.0
97.06535	1.7
97.10168	3.4
105.07027	15.6
107.08585	14.6
109.00608	0.9
109.06547	1.0
109.10140	11.5
111.08095	0.9
117.07001	5.2
119.08575	16.5
119.09350	1.5
121.10136	11.4
123.08052	1.8
123.11714	2.9
125.09618	1.7
129.06987	3.3
131.08553	12.3
133.10115	14.7
135.11703	7.0
137.13269	1.4
141.06972	1.1
143.08560	4.0
145.10112	11.0
147.11678	10.2
149.13246	4.8
155.08548	1.4
157.10129	4.4
159.11700	9.0
161.13252	5.7
163.14813	2.0
167.14423	1.0
171.11716	3.4
173.13232	7.8
175.14833	3.1
177.16370	1.5
181.10280	1.0
183.11729	3.0
184.07281	1.1
185.13280	4.0
187.14801	4.6
189.16385	1.5
191.14342	1.2
197.13339	1.3
199.14809	2.4
201.16451	1.3
213.16495	2.0
241.17862	2.0
259.20596	3.5
261.18906	0.9
261.22226	1.0
273.22153	2.0
276.73117	1.0
281.21054	1.2
285.22241	1.3
287.23633	1.6
299.23737	1.2
301.25418	1.9
303.23117	1.0
313.25104	1.3
327.27011	1.5
333.24411	1.2
350.88455	0.9
352.74756	1.0
361.27435	1.0
379.19647	0.9
391.28809	1.1
407.33026	4.0
425.34140	11.3
443.35089	4.8
499.37790	13.1
517.38184	100.0
518.38824	3.8
522.11926	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	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
55.05507	17.4
56.86189	2.2
57.03423	6.5
57.07080	4.4
59.61420	1.9
67.05502	40.2
69.07064	16.7
71.05775	5.8
74.73538	1.8
79.05495	27.7
81.07057	43.9
83.04980	4.3
83.08627	11.0
85.06478	2.1
91.05484	23.9
93.07041	39.2
93.62561	2.0
95.04977	5.0
95.08604	29.8
97.06525	4.3
97.10168	4.8
104.25732	2.2
105.07030	29.6
107.08588	24.7
109.10143	17.8
109.25788	2.1
111.08086	2.7
116.25426	2.0
117.07021	8.6
119.08571	30.4
121.10141	17.6
123.11716	5.0
129.07031	4.6
131.08553	20.9
133.10153	21.4
135.11670	11.3
143.08556	7.4
145.10098	16.4
147.11681	16.2
149.13300	7.7
157.10179	7.3
159.11705	10.0
161.13287	6.8
163.14836	3.4
168.32207	2.2
169.10124	3.0
171.11703	6.2
173.13228	11.7
175.14893	2.9
177.16939	2.0
185.13379	3.9
187.14928	5.1
197.13319	2.9
199.14903	3.4
201.16472	2.7
210.71118	2.1
215.18001	2.6
227.18047	2.9
239.37807	2.3
241.17934	2.3
252.52524	2.1
259.20605	2.7
294.96997	2.3
299.23645	2.6
301.25290	3.0
313.25598	3.6
317.24542	2.3
330.29904	2.3
376.98782	2.2
405.30020	2.8
425.33997	20.0
443.35413	7.4
499.37662	22.3
517.38885	100.0
518.39410	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	517.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04868	3.4
53.03962	4.3
53.16173	4.0
55.01872	5.4
55.05504	29.5
57.03409	5.8
57.07063	11.4
57.46012	3.6
67.05500	87.7
67.19489	4.4
69.03420	6.4
69.07065	35.4
73.02876	4.6
79.05471	33.2
81.03384	4.5
81.07055	100.0
83.08605	27.4
83.53550	5.1
85.02892	6.5
85.06557	5.1
86.09686	5.5
91.03943	4.3
91.05471	28.9
93.07041	38.6
95.04952	11.9
95.08599	86.4
97.02900	4.7
97.06525	9.4
97.10143	17.7
104.10726	18.2
105.07033	21.6
107.08584	22.7
109.10163	39.0
111.08119	6.3
111.11723	7.3
117.06970	5.9
117.76268	3.9
119.08582	20.4
121.10136	26.3
123.11716	16.1
127.03890	4.4
131.08585	8.4
133.10124	13.7
135.11682	18.2
145.10059	6.3
147.11690	9.4
149.13248	9.1
151.14767	6.6
155.08603	4.4
161.13248	14.6
163.14825	10.1
165.16408	7.4
175.14824	11.6
184.07335	5.1
189.16417	6.5
245.22627	47.1
258.99268	4.0
263.23679	59.7
337.27414	40.9
371.25235	4.1
499.33337	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	517.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01862	5.6
55.05510	5.2
55.89598	0.8
56.96583	1.1
57.03433	7.8
57.07077	1.3
60.58210	0.8
61.02919	2.1
61.88656	0.8
67.05497	7.7
69.03429	13.1
69.07065	12.7
70.06586	4.4
70.74445	3.0
71.05022	2.2
72.08160	1.9
73.02914	7.0
79.05492	4.0
80.98117	0.9
81.03418	12.0
81.07060	8.6
83.04967	3.0
83.08599	1.8
84.08130	3.1
85.02909	15.6
85.06548	3.7
86.09708	2.5
87.00840	5.0
91.05484	4.2
93.07034	8.0
95.04955	3.4
95.08608	13.0
96.73428	0.9
97.02885	7.1
97.06533	6.9
97.10154	1.4
99.04467	4.0
100.11207	1.1
101.02375	9.7
103.05444	1.3
105.01852	2.4
105.07026	6.3
107.04916	1.0
107.08576	6.9
109.02896	9.8
109.06504	1.8
109.10160	12.4
111.04417	1.1
111.08105	2.3
113.05992	4.4
117.07033	2.1
119.08596	10.7
120.08121	2.7
121.06503	2.3
121.10139	11.3
123.08067	23.9
123.11704	1.8
125.05996	1.8
125.09623	2.1
127.03902	11.4
129.07028	1.0
131.04893	1.1
131.08557	3.9
133.06454	0.9
133.10141	13.5
135.08037	5.5
135.11694	4.3
137.09601	4.8
139.07526	7.4
139.11176	7.5
141.07053	0.9
143.08626	1.3
145.04968	2.7
145.10124	4.5
147.04420	1.8
147.11659	3.2
149.09657	4.6
149.13246	2.0
151.11195	2.1
151.14813	16.8
153.05466	1.6
153.09090	5.8
153.16994	1.0
157.10059	1.5
159.02948	2.4
159.11699	3.2
161.09601	3.0
163.03922	1.0
163.07530	1.8
163.11214	3.3
163.14862	1.4
165.09190	1.8
169.10066	1.1
169.15834	1.6
171.11710	1.2
173.13283	5.5
175.11201	0.9
175.14911	1.1
177.09105	1.6
177.12798	8.8
179.10695	8.3
181.08588	17.6
181.10170	1.2
183.08098	1.0
183.08681	1.3
183.10162	8.1
187.11086	1.1
187.14819	2.6
191.10648	1.4
191.14250	2.3
193.12241	1.8
195.13844	1.5
201.05659	1.4
205.15924	6.6
215.14362	2.5
223.16927	5.9
233.15341	12.7
251.16434	31.2
259.09726	1.3
265.20276	1.1
269.17468	100.0
270.17816	1.8
287.05609	1.0
287.09378	1.7
325.14401	3.2
431.13803	1.9
517.22443	1.4
517.28937	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	515.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01852	3.1
55.05507	17.8
57.03437	4.3
57.07080	2.6
60.84469	2.1
65.03924	3.2
67.05499	52.8
69.07059	18.5
71.01325	2.7
71.04987	4.9
79.05485	55.6
81.03388	3.0
81.07050	43.8
83.04974	7.0
83.08631	9.7
91.05471	29.9
93.07038	61.8
95.04957	11.3
95.08595	32.0
97.06531	7.6
97.10164	8.5
105.07018	22.9
107.08583	35.8
109.09489	2.6
109.10136	11.8
111.08071	5.2
117.07021	10.7
119.08569	18.4
121.06579	2.1
121.10130	19.1
123.11723	4.3
129.06982	6.5
131.08542	13.7
133.10129	12.1
135.11691	38.4
141.07039	2.1
143.08604	5.5
145.10110	21.7
147.11617	9.7
149.13252	4.5
153.12759	6.3
155.18739	2.0
157.10112	6.1
159.11656	9.3
161.13246	4.0
163.11122	4.5
163.14838	3.4
169.10095	2.1
171.11697	3.7
173.13268	9.5
181.10194	2.2
181.12271	7.8
183.11696	3.3
185.13324	3.2
187.14873	2.4
199.14859	4.0
213.16539	2.8
261.22079	5.0
311.23666	2.5
329.01648	2.0
405.30820	2.4
423.32657	12.6
441.33624	5.1
497.36557	4.5
515.37360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
55.90550	0.1
56.05025	0.6
57.03434	0.2
58.06628	0.5
60.08158	6.9
62.96409	0.1
67.05490	0.9
69.07069	0.2
69.32124	0.6
69.32552	0.7
71.07365	3.2
79.05483	0.5
81.03396	0.2
81.07046	0.6
81.62244	0.1
84.51535	0.1
86.09697	32.3
91.05471	0.5
93.07030	0.5
95.08607	0.3
97.06535	0.2
98.98460	3.7
98.99111	0.2
101.37103	0.1
104.10735	3.0
105.07014	0.3
107.08586	0.1
109.10146	0.2
112.05233	0.1
119.08573	0.2
124.99992	20.8
133.10048	0.1
143.01022	0.4
179.34038	0.1
181.29488	0.1
184.07321	100.0
185.07607	0.3
188.77548	0.1
192.17763	0.1
205.09491	0.1
227.13274	0.1
403.05313	0.1
498.29770	0.9
516.30634	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	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01860	9.4
55.05512	20.4
57.03415	14.6
57.07071	6.1
61.02908	7.4
64.41957	4.0
65.03905	6.2
67.05502	93.4
69.03410	15.1
69.07078	21.2
69.49855	28.6
71.04990	8.6
73.02906	7.8
79.05052	5.4
79.05487	71.1
81.03400	14.7
81.07052	100.0
83.04976	7.7
83.08611	12.3
85.02908	7.8
91.05474	40.6
93.07043	78.7
95.04967	9.1
95.08603	91.4
97.02892	10.9
97.06533	9.1
97.10161	9.0
98.20751	8.5
105.07023	42.6
107.04906	8.2
107.08585	50.0
109.06503	8.3
109.10145	36.9
117.06997	24.9
119.08578	33.7
121.06514	6.2
121.10146	44.1
123.08037	10.6
123.11691	18.1
129.06979	13.0
131.08553	29.0
133.10117	22.2
135.08057	9.4
135.11702	32.2
137.13274	4.5
139.11145	5.8
141.07002	5.1
143.08562	9.0
145.10109	25.4
147.11670	26.8
149.09636	4.9
149.13213	18.4
153.06810	4.1
155.08516	5.8
157.10112	7.3
159.11652	32.0
161.13248	11.5
163.14812	16.9
165.06944	5.2
169.10202	6.0
171.11674	11.8
173.13158	25.8
175.14819	6.3
185.13232	10.4
187.14868	10.9
199.14793	4.5
233.22672	4.3
233.90514	4.3
243.21130	20.4
261.22141	66.6
273.22162	6.7
301.21375	6.0
303.23160	7.8
305.68536	4.2
317.24490	5.6
335.25690	7.7
345.24210	10.9
353.26749	17.2
369.24142	11.6
405.26337	6.2
415.81555	4.5
419.27924	8.1
443.27576	5.9
461.28647	5.6
497.31100	7.6
515.29626	5.8
515.36914	9.6
531.95142	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52940	5.0
55.05509	20.8
57.03423	13.9
59.98629	4.6
61.02927	10.6
67.05503	86.9
69.03423	14.7
69.07070	27.8
70.07277	21.8
79.05494	47.8
81.03400	10.8
81.07053	86.9
83.04969	6.2
83.08603	12.5
85.02891	11.7
91.05482	33.6
93.07038	70.3
95.04982	6.3
95.08598	76.2
97.02876	11.9
103.10403	4.6
105.07028	34.5
107.08581	33.0
109.06512	7.7
109.10159	32.1
111.08102	5.0
111.59925	4.3
117.07044	19.4
118.30357	4.6
119.08566	26.6
121.10175	28.3
122.21152	4.8
123.11717	13.8
127.03854	4.6
131.08578	27.9
132.10028	5.0
133.10088	11.8
135.08105	5.9
135.11681	25.4
141.06943	6.3
141.25343	4.6
143.08571	7.8
145.10124	15.0
147.11693	12.5
149.09541	4.9
149.13283	15.4
157.10149	6.4
159.11690	18.6
161.13266	11.8
163.14812	11.2
171.11717	8.2
173.13217	11.9
187.14735	7.9
199.14845	6.4
201.16248	5.7
243.20927	11.3
261.22079	38.4
285.22119	5.2
303.23102	12.0
335.25827	16.6
345.24252	8.7
353.26718	12.9
387.25177	6.7
389.27435	6.8
419.28131	11.7
443.27753	6.4
497.30994	8.1
515.26282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
54.73388	3.0
55.05506	21.8
57.03432	4.8
57.07044	4.2
61.02909	4.9
65.03942	3.3
67.05499	89.2
69.03419	10.7
69.07071	20.6
69.45031	3.1
70.73935	7.6
71.05016	7.1
75.22850	3.3
75.84506	3.6
79.05486	56.9
81.03414	8.3
81.07050	100.0
81.39674	3.0
83.04959	4.6
83.08613	11.4
85.02894	8.3
85.06519	3.8
85.80990	3.5
91.05473	35.3
93.07037	75.3
95.04981	9.1
95.08604	69.3
97.02882	4.0
97.10156	5.2
104.35749	3.1
105.07015	30.3
107.04943	4.9
107.08585	46.1
109.06533	8.2
109.10149	29.9
112.64865	3.5
117.07021	18.0
119.08588	23.1
121.06476	3.8
121.10143	36.4
123.08006	4.9
123.11690	22.2
131.08557	35.0
133.10135	21.2
135.11707	28.4
139.11121	3.5
143.08549	6.1
145.10107	26.4
147.11693	13.3
149.13263	16.9
157.10201	4.8
159.11696	19.7
161.09663	5.2
161.13237	12.8
163.14832	15.6
171.11665	4.3
173.13280	13.0
175.14865	6.3
177.16478	4.5
187.14804	12.8
205.15947	4.5
233.22598	3.4
243.21153	26.7
245.81863	3.2
246.18265	4.0
261.22086	65.8
317.24594	3.8
335.25757	7.7
345.24179	6.8
353.26703	9.9
369.24048	6.2
426.32062	3.4
515.37750	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	515.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
67.05490	2.0
70.06251	3.2
73.38766	0.6
77.72131	0.6
81.07050	1.5
83.04956	0.6
91.05540	0.7
93.07021	1.5
105.47633	0.6
107.08575	1.2
122.02957	0.5
131.08615	0.7
144.35358	0.7
145.10081	0.9
160.88141	0.8
197.13292	0.7
333.25018	0.7
453.58545	0.7
499.48056	0.7
515.31818	100.0
516.31909	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53355	1.9
52.61808	2.7
53.03934	5.8
55.01863	3.7
55.05515	21.2
57.03426	9.1
61.02910	7.5
65.03944	3.5
67.05502	76.5
69.03409	9.0
69.07077	18.3
71.01381	2.4
71.04967	5.9
73.02929	4.2
75.04469	2.5
79.05051	4.0
79.05488	58.5
81.03398	6.5
81.07052	100.0
83.04974	4.7
83.08615	10.9
85.02896	7.9
85.06540	4.4
90.52468	1.9
91.03920	3.8
91.05476	33.7
93.07038	61.2
95.04958	7.8
95.08604	71.1
96.33753	1.9
97.02875	5.7
97.06538	5.0
97.10147	5.9
99.04439	2.7
99.08108	3.0
103.03979	2.2
105.07017	23.8
107.04926	3.4
107.08593	34.8
109.06487	7.1
109.10159	31.6
111.08087	4.9
114.66821	2.0
117.07034	13.4
119.08582	23.0
121.06491	3.0
121.10130	36.0
123.08064	3.5
123.11693	17.0
127.03950	2.3
128.06165	2.6
129.07002	4.2
131.08572	25.0
133.10100	17.3
135.08051	2.4
135.11688	27.7
137.09610	2.9
137.13194	3.6
139.11176	2.9
143.08537	4.2
145.10106	18.4
147.08061	1.9
147.11696	13.9
149.13223	19.1
151.11140	2.0
151.14848	3.2
153.12729	2.1
157.10089	5.4
159.07944	2.2
159.11636	13.5
161.09592	2.7
161.13254	9.7
163.11229	3.1
163.14810	12.7
171.11673	4.3
173.13235	17.1
175.14870	3.2
177.12759	2.9
177.16373	3.6
187.14801	10.6
189.12610	2.6
233.22539	4.2
239.88069	2.3
243.21085	24.4
261.22128	67.4
279.23138	3.1
301.21613	3.6
303.23196	3.8
307.35291	2.2
308.66971	2.2
335.25781	19.2
345.24155	4.8
351.22720	2.2
353.26831	13.1
368.47458	3.0
369.24457	2.5
414.48596	2.1
419.27890	3.6
461.29059	3.9
479.29568	5.1
488.28348	2.4
497.31076	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	514.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
53.44577	2.0
55.05498	4.9
57.03423	2.8
65.73337	2.3
67.05500	8.1
69.03398	1.7
69.07037	2.2
69.69605	15.2
70.06580	4.6
71.04984	2.3
72.08157	2.6
73.13850	2.0
73.47593	2.1
79.05482	8.9
81.03410	100.0
81.07038	9.8
83.04964	5.4
83.08611	21.4
85.02887	3.9
85.06567	2.1
86.09693	6.4
89.12890	2.2
91.05492	13.5
93.07018	4.9
95.04961	31.7
95.08604	3.2
97.02892	4.9
97.06504	2.9
98.21497	2.2
100.56273	2.0
102.95458	1.9
105.07018	8.3
107.04945	5.9
107.08579	2.2
109.06516	3.7
111.04431	4.1
111.08083	8.0
117.07008	2.6
119.08593	10.8
121.10117	4.4
123.04384	2.7
129.07008	8.5
131.08580	7.4
133.06531	2.6
133.10152	4.6
135.02898	1.8
142.07788	2.8
146.33568	2.0
147.04332	2.7
147.08041	4.5
147.11687	6.8
149.09601	5.3
151.67557	2.1
157.10132	11.2
165.12685	2.2
173.83893	2.2
175.11195	14.8
193.12233	71.3
211.13225	6.4
235.13345	3.7
253.14522	2.3
259.13202	2.5
267.15866	41.2
273.14951	2.2
285.16934	79.2
301.14337	3.5
309.16968	6.8
337.16470	2.5
378.23517	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	514.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64098	2.7
53.03938	3.1
55.05512	3.6
57.03432	7.5
60.40285	3.0
65.03926	3.6
67.05503	14.5
70.06573	6.7
70.43703	13.5
79.05473	11.1
81.03416	100.0
81.07036	14.1
81.15845	2.7
83.04949	4.5
83.08614	24.1
86.09702	5.8
91.05460	14.8
93.07012	9.1
95.04953	35.5
95.08582	7.4
97.02886	4.4
100.21868	3.2
105.07004	11.9
106.06545	8.7
107.04934	6.8
108.08086	12.3
109.10143	9.1
111.04446	3.8
111.08081	10.9
119.08597	15.1
121.10098	4.3
124.07613	7.0
129.06993	10.2
129.10281	3.3
131.08536	9.4
133.10152	5.9
134.06007	6.5
136.07553	3.9
137.09595	10.0
138.48083	3.2
147.11690	6.0
149.09616	6.0
152.07082	37.7
157.10126	12.7
165.09131	4.9
170.08134	14.9
175.11160	15.2
177.05360	3.4
193.12244	89.4
211.13246	4.5
267.15912	54.9
285.16949	86.7
292.28857	3.3
309.16925	9.5
311.74680	3.5
363.17969	3.4
373.14136	4.9
411.20020	4.2
490.89267	4.0
496.21603	12.5
514.22607	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	514.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38960	0.7
55.05518	1.2
56.96556	7.1
57.03439	1.2
67.05496	3.9
69.07061	1.1
71.60473	1.1
79.05486	2.2
81.07059	2.1
91.05460	1.3
93.07020	2.0
95.08608	1.2
98.06822	0.8
102.92596	2.7
119.08553	0.9
120.93710	0.8
128.98573	1.7
131.00128	0.9
136.93153	3.0
136.94048	1.9
146.99635	2.3
147.03197	0.9
149.01221	1.8
150.11072	0.7
154.94130	15.2
156.03600	1.5
172.95221	58.3
179.98283	10.9
190.96266	37.6
192.95723	1.6
195.96788	5.1
197.98376	7.3
208.97134	0.8
210.96771	8.8
212.98228	1.0
213.97928	2.7
215.99435	7.9
228.97824	27.9
229.00098	1.6
230.99513	1.2
233.98466	1.3
239.00548	0.7
245.96481	0.8
246.98932	4.7
251.99434	2.6
315.16293	0.8
316.57227	1.7
317.17838	28.2
318.18460	1.0
325.57956	1.0
333.17471	2.5
335.18912	13.7
335.25769	1.8
346.85532	0.8
358.16397	7.8
358.20529	2.6
358.66568	2.1
397.14481	3.3
428.70874	0.9
453.17075	43.3
454.17300	1.1
471.18201	100.0
472.18765	2.5
494.19714	13.9
514.22748	9.9
514.36066	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	514.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
53.96461	0.5
55.05492	1.3
61.02917	0.7
65.03935	3.2
67.04248	0.6
67.05173	0.7
67.05502	13.5
69.03407	2.3
69.07053	1.1
70.06595	2.7
70.44981	1.7
70.75823	0.5
71.04965	0.8
72.08129	0.6
74.46274	0.5
79.05487	7.6
80.05013	1.7
81.03411	4.8
81.05785	1.4
81.07051	6.5
82.06568	0.9
83.04955	1.0
84.08120	1.0
85.02883	1.8
86.06091	0.6
86.09712	3.7
91.05466	1.5
92.04995	4.6
93.05754	1.3
93.07046	1.4
94.06569	1.1
95.04960	3.8
95.08598	3.1
96.04521	0.6
96.08119	6.6
96.37315	0.5
97.02876	1.5
99.04436	1.5
99.08089	0.8
105.04554	0.6
105.06982	0.7
106.06548	50.8
107.04928	0.7
107.08590	1.3
108.08109	56.6
109.02871	2.9
109.05254	1.4
109.06483	1.5
109.10151	22.6
110.06041	0.7
119.08634	1.4
119.18755	0.5
123.06811	8.5
123.11758	0.6
124.07585	36.1
127.03908	1.9
134.06003	33.0
135.08130	0.6
136.07562	17.4
137.09604	33.4
137.59297	0.5
147.04413	0.8
148.07535	1.0
150.05521	0.6
152.07057	96.3
153.07663	1.4
154.08601	1.7
155.10672	1.3
160.07585	1.5
164.07062	0.7
165.09103	15.6
170.08115	58.4
171.08559	0.8
174.09079	1.0
183.10210	1.0
190.08525	0.6
200.10687	0.8
201.11206	1.3
214.12254	0.9
252.13731	0.6
287.05368	0.8
288.15982	0.6
296.11264	1.2
300.98813	0.6
309.13406	0.9
314.12418	1.8
316.15384	1.7
327.14380	2.7
332.13501	1.1
334.16589	1.3
336.18030	0.7
367.16989	0.6
460.19617	1.4
478.20633	5.4
496.21756	29.3
497.22696	1.0
514.22852	100.0
515.23395	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	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17419	1.3
53.03938	3.7
55.01862	3.2
55.05506	14.6
57.03429	10.9
57.07072	2.9
61.02923	26.4
67.05499	36.4
69.03426	15.7
69.07058	14.4
69.96346	6.8
71.01331	1.3
71.04983	4.0
71.08629	28.3
73.02915	14.6
79.05490	33.3
81.03413	20.8
81.07048	44.5
83.04979	8.3
83.08608	7.9
85.02900	28.5
85.06504	2.2
86.09718	1.1
87.04444	1.5
91.03947	12.3
91.05468	27.2
93.07035	49.9
95.04958	10.7
95.08599	30.8
95.09161	2.6
97.02884	21.9
97.06514	7.3
97.10154	3.1
99.04445	5.5
99.08086	20.1
101.02378	5.0
103.03914	2.1
105.07024	18.8
107.04930	5.3
107.08590	25.4
109.02885	7.4
109.06507	3.4
109.10157	9.7
111.08067	2.8
113.09629	2.8
117.07015	3.7
119.08567	13.8
121.10134	26.2
123.08034	1.9
123.11673	1.4
125.09617	1.3
127.03912	11.1
129.06998	3.7
131.08557	7.8
133.10121	11.4
135.08133	1.3
135.11674	33.4
137.09634	3.4
141.09094	3.1
143.08521	2.1
145.04951	3.9
145.10104	3.7
147.11665	5.1
149.05905	2.1
149.13251	9.3
151.11201	11.6
157.10066	2.1
159.11687	5.9
161.13219	12.0
163.11208	5.6
163.14792	2.2
165.12750	1.3
167.10654	2.2
171.11642	2.8
173.11659	1.2
173.13161	1.8
175.14781	2.4
177.12720	3.8
179.14290	100.0
183.06580	2.2
185.13258	1.9
189.12703	2.4
195.13823	3.7
197.13286	1.4
199.14876	1.7
200.20068	2.2
221.15387	1.6
235.16916	4.7
241.19597	1.3
259.20502	6.0
277.21597	70.4
295.22601	1.8
298.24799	1.4
341.10507	1.9
351.25238	36.4
379.24945	1.9
393.25885	1.4
495.29315	2.3
513.30188	4.1
513.35907	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.9
55.01840	2.4
55.05511	7.4
56.12380	2.5
56.96560	3.1
57.03439	7.0
61.02924	18.9
67.05505	29.0
69.03427	6.6
69.07066	8.5
71.04997	4.1
71.08640	2.9
71.18349	5.9
79.05487	35.6
81.03419	7.2
81.07047	35.6
83.08604	6.1
85.02888	17.8
88.62292	3.0
91.03954	8.8
91.05479	30.9
93.07031	47.5
95.04970	5.7
95.08602	21.7
97.02919	13.2
97.06539	3.9
97.10165	3.8
99.08047	3.6
105.07024	32.0
107.08582	33.0
109.10142	11.3
117.07014	9.6
119.08582	33.3
121.10123	20.9
129.06982	5.1
131.08562	15.7
133.10117	29.1
135.11684	21.8
143.08568	8.5
145.10143	17.3
147.11658	28.1
149.13251	15.6
157.10117	5.7
159.11700	12.8
161.13306	19.3
163.14824	6.0
171.11674	8.3
173.13263	9.4
175.14850	8.1
185.13269	6.7
187.14799	2.7
199.14922	6.2
213.16289	3.5
231.21255	3.6
241.19482	19.0
259.20551	45.2
277.21585	7.6
333.24316	9.0
351.25278	100.0
363.25012	2.9
385.24292	2.9
413.66971	3.4
441.26285	5.2
459.27426	4.7
495.29282	5.2
513.28278	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41921	1.7
53.03928	2.8
53.39804	1.8
53.45339	2.0
55.01861	3.1
55.05509	10.5
56.96566	1.9
57.03426	6.0
57.07067	1.8
61.02921	17.1
64.56799	1.6
66.77404	1.7
67.05503	28.5
69.03431	7.8
69.07065	10.9
70.06580	2.3
71.01359	2.5
71.04984	3.3
71.17922	2.4
73.02914	7.9
75.04449	3.3
79.05487	37.0
81.03405	5.6
81.07049	35.8
83.04955	1.6
83.08598	6.1
85.02893	15.2
85.06564	3.9
86.09700	1.7
91.03949	6.2
91.05471	31.2
93.07035	47.2
95.04964	5.0
95.08597	27.6
97.02894	13.1
97.06536	4.1
97.10191	2.0
99.04447	2.1
105.07021	31.2
107.04971	2.9
107.08588	28.6
108.88310	1.5
109.02811	2.3
109.06501	2.1
109.10162	10.8
111.08089	1.8
115.03952	1.6
117.07030	7.6
119.08570	27.5
121.06477	2.1
121.10133	24.8
123.11708	1.8
127.03893	2.3
129.06985	6.7
131.08559	16.2
131.59485	1.5
133.06575	2.8
133.10123	25.5
135.08092	1.9
135.11684	22.2
137.09636	2.3
143.08572	7.9
144.09261	1.9
145.10110	17.4
147.11679	22.8
148.11955	1.5
149.09550	2.7
149.13260	13.7
153.01747	3.7
157.10149	6.5
159.11664	13.7
161.09651	2.4
161.13240	20.7
163.11205	2.9
163.14810	6.5
169.10132	3.7
171.11702	8.1
173.11951	2.0
173.13210	10.1
175.11157	2.7
175.14784	9.7
177.12697	2.1
183.11682	1.8
185.13179	7.5
187.14847	4.3
189.16469	1.7
197.13170	1.6
199.14819	5.4
201.16356	2.0
203.14302	2.2
213.16437	2.8
217.04993	1.7
229.14211	1.9
231.17555	2.0
231.21049	3.2
241.19522	18.0
259.20541	45.7
260.20798	2.8
264.46613	1.5
271.20511	3.1
273.21756	1.5
277.21667	8.6
283.06442	1.7
299.05710	2.0
301.03751	1.5
301.21732	1.9
303.04706	3.4
327.04962	2.4
333.24228	8.6
339.05203	1.5
349.23892	3.8
351.25262	100.0
367.22659	3.1
375.25241	2.2
385.23801	2.0
403.24478	2.9
417.26181	2.0
421.25656	1.7
423.23264	3.7
441.26575	4.3
459.27420	2.7
477.15176	2.3
477.28354	3.6
495.16406	9.7
495.29425	5.2
513.17542	5.5
513.28082	2.6
532.01501	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	513.3055
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03932	2.3
55.05507	10.0
57.03419	7.1
61.02932	13.2
62.80945	1.7
65.03944	2.5
67.03233	1.6
67.05504	19.2
69.03415	4.4
69.07055	6.9
69.35513	14.1
69.35915	5.2
71.04990	3.4
73.02923	5.4
74.25810	1.7
79.05488	24.2
81.03417	4.1
81.07058	27.9
83.08595	5.2
85.02895	11.3
91.03944	5.3
91.05491	19.0
93.07047	34.6
95.04977	2.5
95.08594	14.0
97.02871	9.0
97.06543	2.0
97.10218	2.3
97.38721	1.8
98.21568	2.5
105.07027	26.0
107.08595	20.4
109.10165	9.8
111.08084	2.1
117.07027	6.4
119.08572	25.6
121.10120	19.2
123.11684	2.3
125.02277	2.1
127.03843	3.0
129.07016	5.3
131.08534	11.4
133.10121	24.6
134.24081	1.8
135.11684	21.5
143.08549	5.3
145.10115	12.5
147.11700	24.2
149.13283	14.7
152.71640	1.9
155.08583	2.1
157.10150	7.2
159.11684	11.7
161.13243	23.0
163.11253	2.6
163.14813	5.2
171.11687	8.7
173.13251	8.2
175.14801	12.0
179.14355	5.0
185.13300	7.2
187.14893	3.0
199.14795	5.7
213.16400	4.1
241.19521	17.6
259.20547	44.2
274.12201	2.0
277.21646	9.3
333.24133	8.1
346.64340	2.0
349.23672	6.2
351.25287	100.0
363.25549	2.7
414.86282	2.1
441.26636	4.4
459.27325	5.7
477.28403	5.0
495.29190	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	513.3057
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03938	3.1
55.05504	8.7
57.03425	6.1
57.07058	1.9
61.02922	18.3
64.43860	1.4
65.03940	2.5
67.02498	1.4
67.05499	28.6
69.03421	5.5
69.07067	9.4
69.14502	1.4
70.13236	3.5
70.13628	3.3
71.04981	2.5
71.08617	1.5
73.02910	4.9
79.05485	31.8
81.03390	5.3
81.07049	32.3
83.04990	2.5
83.08617	4.4
85.02898	13.6
85.06528	3.6
91.03941	8.0
91.05473	23.5
93.07035	38.5
95.04964	5.8
95.08596	24.4
97.02892	12.3
97.06504	3.7
97.10125	1.8
98.20746	1.8
99.04456	1.6
99.08066	1.8
105.07018	30.9
107.08584	24.5
109.06487	2.5
109.10152	10.2
115.05432	2.5
117.07021	9.9
119.08568	27.8
121.10137	22.2
123.08088	3.3
123.11632	1.9
125.09654	1.7
127.03911	4.2
129.07014	7.5
131.08556	14.1
133.10124	25.0
135.11681	19.9
137.09573	1.6
143.08531	6.8
145.06529	1.5
145.10124	13.9
147.11674	28.1
149.09618	2.2
149.13260	13.3
151.11165	3.1
153.01723	1.8
155.08551	2.6
157.10074	5.2
159.11690	11.5
161.09682	2.5
161.13252	22.6
163.11089	2.4
163.14796	5.2
169.10127	2.3
171.11719	7.2
173.13264	9.4
175.11278	2.2
175.14783	10.7
181.10117	1.9
183.11702	2.1
185.13197	8.2
187.14746	2.3
199.14825	5.2
203.14252	1.6
211.14821	1.9
213.16364	4.6
231.17519	1.9
231.20938	5.0
241.19528	20.6
259.20544	44.8
277.21570	9.2
301.21625	1.6
303.05093	2.8
304.41129	1.7
313.04117	1.5
313.21646	1.8
333.24130	8.5
349.23590	4.7
351.25269	100.0
352.25516	2.1
363.25253	2.3
368.14267	2.1
423.24216	1.8
423.85913	1.6
441.26132	4.9
459.27371	4.3
477.28073	2.9
495.16379	4.3
495.29434	3.6
513.17505	5.6
513.31525	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	511.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01868	2.4
55.05517	6.4
55.05742	1.1
57.03437	15.1
61.02637	1.4
61.02923	17.8
65.74952	1.0
67.05505	17.7
69.03433	9.5
69.07070	4.9
69.46154	8.7
70.06567	1.7
71.01321	1.1
71.04990	2.5
73.02921	6.9
79.05486	17.1
81.03419	8.8
81.07058	18.4
83.04981	1.9
83.08612	4.3
84.85712	1.0
85.02900	16.5
85.06541	3.9
91.03949	7.2
91.05476	24.5
93.07038	18.5
95.04953	5.4
95.08614	9.2
97.02895	13.5
97.06506	2.0
97.10176	1.9
99.04456	6.6
100.27162	1.3
101.02377	2.8
103.03963	1.6
103.05470	1.3
103.76945	1.1
105.06374	1.5
105.07035	18.5
107.04971	3.3
107.08597	10.0
109.02866	2.9
109.06522	3.6
109.10128	5.3
111.08062	1.7
117.07009	9.7
119.08584	15.5
121.06527	1.5
121.10133	6.4
121.59048	1.2
123.08072	2.4
123.11726	1.4
125.09633	1.3
127.03884	6.2
129.05487	1.3
129.07028	3.2
131.08568	13.0
133.10139	10.7
135.08038	1.7
135.11671	5.0
137.09608	1.9
143.08568	1.7
145.04976	1.5
145.10103	7.7
147.08035	1.1
147.11673	4.5
149.09622	2.8
149.13222	1.5
153.12650	1.2
157.10101	1.8
159.11623	4.8
160.15851	1.0
161.13217	1.2
163.11209	1.6
173.13234	2.2
175.14789	2.1
185.13260	3.1
187.28343	1.0
191.14413	1.2
193.12331	1.2
201.16354	5.6
201.80333	1.0
203.14362	2.5
209.15298	1.6
211.13216	1.6
219.17435	100.0
239.17874	1.8
247.20764	1.1
257.18942	2.3
267.08807	1.4
275.20065	16.5
283.06250	1.4
283.15311	1.7
285.10132	1.5
288.95908	1.3
339.17609	1.2
349.23770	13.8
377.23383	1.3
432.80734	1.1
493.27960	1.4
509.34061	1.0
511.28644	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	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.4
55.01865	14.0
55.05267	2.8
55.05506	36.6
56.96555	3.1
57.03431	26.9
57.07080	4.3
61.02910	14.3
65.03931	6.9
67.05501	84.3
69.03429	45.3
69.07064	34.1
70.06581	4.8
71.04995	16.2
73.02908	3.9
79.05059	3.9
79.05489	68.9
81.03415	75.2
81.07053	100.0
83.04983	22.7
83.08611	21.3
84.08150	3.8
85.02904	43.1
85.06513	5.4
87.04427	3.3
91.03933	7.6
91.05476	64.7
93.07040	56.7
95.04961	29.3
95.08604	44.2
97.02892	42.2
97.06529	18.1
97.10145	8.7
99.04445	12.1
99.08093	6.0
101.02366	4.8
103.03937	5.1
105.06374	5.3
105.07020	53.9
107.04945	12.0
107.08588	38.9
109.02869	11.0
109.06500	14.8
109.10152	28.4
110.10526	3.0
111.04443	8.5
111.08089	12.1
117.07002	25.0
119.04923	5.0
119.08571	49.5
120.41489	2.9
121.06490	8.1
121.10153	30.0
123.04396	4.3
123.08038	9.6
123.11687	9.1
125.09587	7.1
127.03915	21.0
129.05475	6.5
129.07007	12.9
131.08565	33.9
133.06487	5.4
133.10121	31.4
135.08015	9.1
135.11658	17.2
137.09612	8.4
139.11165	3.7
141.06927	3.0
143.08542	6.1
145.04939	7.0
145.06427	4.4
145.10123	27.8
147.07994	7.1
147.11693	27.0
149.09595	13.6
149.13249	9.9
151.11191	5.3
153.12753	3.0
155.08545	5.3
157.10139	14.0
159.11688	24.0
160.52022	3.0
161.09570	4.5
161.13277	6.0
163.11224	16.2
165.05501	2.8
165.12726	5.1
167.48882	2.7
169.10120	7.1
171.11676	6.9
173.04437	14.9
173.09589	5.9
173.11797	5.0
173.13194	6.7
175.11215	6.7
177.12753	7.9
181.12177	3.5
183.11613	4.1
185.13115	3.2
187.11186	2.9
191.10751	3.8
193.12224	17.2
195.13913	13.8
197.13161	5.6
209.11682	5.9
211.11560	2.8
211.13286	12.8
217.15825	3.0
217.53256	3.0
227.12666	3.4
229.14348	6.0
239.17888	4.7
245.04926	3.3
247.05873	2.9
247.20624	7.9
256.79382	3.4
257.18930	8.6
267.15939	11.5
269.17416	11.7
273.18298	2.9
275.20050	57.0
278.22049	3.4
283.06241	4.3
283.15256	7.4
293.20990	5.7
309.52991	3.1
349.23703	49.0
352.25488	8.6
363.12509	3.5
381.13336	3.6
391.24576	3.7
401.23438	3.6
413.21603	14.7
419.24295	5.3
475.26727	7.3
493.28152	11.1
511.28943	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3547
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05508	0.6
56.05018	0.9
57.03439	0.6
57.07074	3.5
58.06575	1.5
59.17571	0.3
60.08162	15.5
67.05496	1.0
69.07047	0.5
69.37334	2.4
70.06570	0.2
71.07369	6.4
71.08627	2.5
71.63383	0.3
79.05493	0.4
81.07040	1.1
83.08610	0.8
84.29565	0.2
85.10177	1.3
86.09701	49.1
91.05441	0.3
91.60294	0.3
95.08608	1.8
97.10144	0.4
98.98462	3.5
104.10738	100.0
109.10132	0.8
124.99998	26.0
143.01048	0.7
151.90591	0.3
163.01547	0.7
184.07330	98.2
185.07646	0.5
230.79857	0.3
239.23729	0.3
239.37442	0.3
258.11099	0.7
286.14685	0.3
313.27280	1.4
327.28900	1.4
393.85098	0.3
433.27118	0.4
492.34448	8.8
510.35562	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37804	6.8
55.05503	15.7
57.07073	100.0
59.57053	6.3
67.05499	38.0
69.03416	16.8
69.07049	28.6
69.07397	6.7
69.86147	6.4
70.19099	36.8
71.08629	75.7
79.05470	8.9
81.07048	60.5
83.08609	29.7
85.02903	27.2
85.10191	40.6
85.17453	6.7
91.05452	8.2
95.08599	67.4
97.02885	19.1
97.10123	18.1
98.20834	14.3
99.43552	6.7
104.10711	9.6
109.02869	9.8
109.10149	38.0
119.08559	11.2
123.11700	13.4
127.03901	25.7
145.04933	11.6
183.73787	7.2
184.07333	17.5
239.23717	99.4
313.27335	32.5
339.12173	8.3
383.27936	37.6
401.29050	98.3
510.37848	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.3
55.01867	2.8
55.05491	6.7
56.80577	1.5
57.03418	7.4
61.02915	2.0
67.05487	7.9
69.03427	15.8
69.07066	3.9
69.44476	11.6
69.44888	4.5
70.06577	4.3
71.05013	3.6
72.08153	4.0
75.04476	4.9
79.05492	23.1
81.03420	15.6
81.07048	15.6
83.04987	2.4
83.08587	2.2
84.08129	3.2
85.02920	12.8
86.09720	2.1
91.05479	23.8
93.07045	100.0
93.95435	1.7
94.07335	2.7
95.04980	9.6
95.08605	7.1
97.02897	11.1
97.06531	4.4
99.04488	3.4
105.07014	14.0
107.04926	4.4
107.08601	15.9
109.02879	6.0
109.06505	3.0
109.10129	3.4
111.04440	3.2
111.08097	3.5
119.04975	2.3
119.08581	26.6
120.08136	2.2
121.06521	4.2
121.10141	99.8
123.08083	4.7
125.05974	3.9
125.09610	3.0
127.03905	5.8
128.06221	2.0
129.07005	2.3
131.08559	9.4
133.06447	2.4
133.10184	2.8
139.11159	2.7
145.04951	3.7
145.10109	4.4
145.79695	2.0
147.04385	9.7
147.11649	3.0
149.09625	37.7
153.01790	1.7
163.03859	2.1
163.11139	1.8
165.09164	3.6
167.10672	25.2
193.12263	2.0
230.56378	1.6
247.05830	1.9
259.41376	1.8
285.09857	2.0
293.13824	10.1
294.90231	1.8
297.86456	2.2
311.14984	13.5
448.05252	2.2
501.52621	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47907	3.8
53.03947	3.3
55.01860	4.5
55.05511	15.4
57.03413	3.9
57.07075	53.8
62.49860	3.6
65.03933	5.2
66.10433	3.7
67.05162	6.2
67.05501	69.7
69.07064	29.7
71.05003	8.2
71.08627	33.0
71.13322	7.5
79.05501	16.6
81.03403	4.9
81.07056	60.1
83.04969	4.9
83.08624	18.7
85.06559	8.0
85.10181	15.4
91.05466	39.4
93.07058	21.2
95.04974	6.6
95.08608	36.4
97.10167	9.6
99.04433	5.9
105.07022	47.2
107.08602	35.2
109.06489	7.7
109.10154	94.3
113.06020	4.4
119.08568	4.9
121.10105	4.6
123.11690	20.5
127.07502	6.5
131.08569	4.7
133.10124	100.0
140.94432	3.6
151.11176	61.8
169.12224	16.9
215.12677	4.1
227.12741	5.2
239.23701	6.3
253.14372	66.9
362.44342	3.5
371.76154	4.1
401.89075	3.5
505.52402	3.7
509.38443	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89043	4.0
53.03938	11.8
55.01870	18.2
55.05507	49.2
56.96560	5.9
57.03428	23.2
57.07030	4.1
59.04979	4.2
61.02900	5.7
67.05161	6.6
67.05501	86.8
68.57366	3.8
69.03405	14.8
69.07054	28.8
70.06577	12.0
71.01319	4.0
71.04988	22.9
71.16383	3.8
71.60194	3.8
71.60550	3.6
72.08129	8.5
73.02877	4.3
79.05486	75.1
81.03413	30.3
81.07047	100.0
83.04977	25.6
83.08602	33.4
84.08125	6.5
84.54678	3.8
85.02891	16.6
85.06531	10.7
86.09673	8.7
91.03992	4.5
91.05471	60.0
93.07029	82.9
95.04957	86.5
95.08605	43.0
97.02870	10.3
97.06517	23.6
97.10161	31.3
99.08070	5.1
103.05495	6.0
105.07024	41.3
107.04943	48.7
107.08589	49.4
108.08135	7.9
108.88843	3.6
109.02872	6.1
109.06504	67.2
109.10162	34.1
111.04417	8.6
111.08035	11.2
115.05489	6.5
116.06271	4.8
117.07016	22.2
119.08573	34.0
120.08105	5.4
121.06500	36.6
121.10136	48.3
123.04412	8.0
123.08047	14.1
123.11678	11.7
125.05982	5.8
125.09625	26.8
129.07005	19.3
130.07739	4.3
131.07805	3.2
131.08575	30.8
133.06464	7.4
133.10101	25.2
135.08049	21.9
135.11658	21.8
136.07553	7.1
137.05975	6.7
137.09570	7.0
139.07565	3.9
139.11130	7.2
142.07730	4.4
143.08546	12.9
145.06487	16.0
145.10129	24.8
147.08029	11.1
147.11673	6.9
149.09595	13.2
151.07520	4.4
151.11177	5.7
153.05536	5.1
153.09090	3.9
153.12704	4.7
155.08566	9.3
157.06453	3.9
157.10123	6.5
159.08035	6.1
159.11690	13.2
161.05925	4.6
161.09590	10.9
163.07529	6.9
163.11179	30.0
165.09181	4.5
167.08502	6.2
167.10655	13.8
169.10078	7.0
171.11641	6.9
173.09569	5.5
173.13255	8.4
175.11192	6.7
176.35165	4.0
179.10735	4.8
181.12207	7.7
185.13248	3.8
187.11078	6.7
187.14891	5.5
189.09047	3.8
189.11198	16.0
189.12747	6.4
191.10579	7.6
191.14278	9.3
193.12206	13.3
197.13306	6.9
199.13202	19.6
201.12744	6.8
205.12286	7.3
209.11586	17.7
210.81027	4.1
211.13239	8.7
215.14375	8.7
219.13824	30.4
223.13246	13.1
227.12683	31.8
233.15372	6.0
237.14951	5.7
261.15042	4.3
265.14417	4.6
273.14423	6.3
273.17053	21.7
283.15378	11.4
293.17435	23.6
304.05392	4.5
349.21622	13.9
350.24136	9.6
357.23859	4.1
367.22723	39.0
385.23740	26.9
399.21176	4.4
403.24768	11.7
405.23849	4.7
417.26282	7.3
423.24893	4.5
441.26300	8.8
459.27356	27.2
477.28430	17.5
491.30859	21.9
509.27737	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	509.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.1
53.72110	3.2
55.01862	21.3
55.05262	3.8
55.05509	54.7
57.03432	21.9
59.04984	4.3
65.03912	6.0
65.27029	3.6
66.48048	3.3
67.05501	94.1
68.05857	3.5
69.03415	9.5
69.07059	31.4
69.98938	3.8
70.06596	5.2
71.01398	3.2
71.04989	26.2
79.05487	97.3
81.03416	23.6
81.07053	96.0
83.04977	20.3
83.08624	27.3
85.02884	7.8
85.06533	11.5
91.05479	61.3
93.07037	98.4
95.04359	5.2
95.04963	100.0
95.08602	48.5
96.08946	4.6
97.02870	6.2
97.06518	19.4
97.10165	36.5
99.04462	3.3
101.06078	4.1
102.77625	3.3
105.07024	36.9
105.32033	3.4
107.04948	67.2
107.08577	47.8
109.02884	3.8
109.06508	72.4
109.10146	25.1
111.08050	8.8
117.07005	22.7
119.08580	27.3
121.06505	42.4
121.10126	52.1
123.08075	15.2
123.11659	4.8
125.05970	6.2
125.09618	36.4
129.06995	16.0
131.04871	6.0
131.08543	30.9
133.06499	7.2
133.10120	17.2
135.08032	27.4
135.11647	13.1
137.09665	8.4
139.11157	9.6
141.06946	6.4
143.08534	8.7
145.06467	17.9
145.10129	25.4
147.08034	14.7
147.11682	11.7
149.09627	17.0
153.09059	4.6
153.12714	3.6
155.08572	9.4
157.10155	5.7
159.08047	8.2
159.11676	11.8
161.09596	7.8
162.32286	3.5
163.11142	29.9
167.10660	21.4
169.10094	4.8
171.08003	6.1
171.11665	5.9
173.09605	8.9
173.13206	9.8
175.07574	3.8
175.11182	6.4
183.11652	4.7
187.11151	6.3
189.11211	17.9
191.10562	5.1
191.14259	14.6
193.12177	10.6
197.13400	3.8
199.13243	25.7
201.12720	6.1
205.12207	8.6
207.10040	3.8
209.11691	7.3
211.13300	7.6
215.14354	5.7
219.13789	50.3
223.11415	3.5
223.13232	21.5
227.12619	23.6
233.15422	9.9
237.14786	10.7
249.14906	3.6
259.17126	3.7
267.15900	7.0
273.14462	7.9
273.17139	19.0
279.15897	4.3
283.15677	6.4
285.09424	4.0
287.16238	4.6
293.17435	32.4
339.23190	6.6
349.21152	18.1
350.24042	17.1
357.24216	4.7
367.22668	51.9
385.23685	40.4
403.24689	15.5
417.25787	6.6
423.25610	4.3
441.26230	10.1
459.27426	52.2
473.29083	4.7
477.28839	21.3
477.34348	4.4
491.30283	31.8
509.26303	10.4
509.31747	7.8
526.05945	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	508.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25658	9.9
55.05508	70.0
57.07067	20.9
66.40327	9.2
67.05506	77.5
69.07071	61.4
69.44080	85.7
71.08604	12.5
71.62788	9.4
79.05480	28.7
81.07063	66.5
83.08182	10.5
83.08611	53.7
86.09682	48.5
91.05463	24.0
93.07030	36.4
95.08591	62.8
97.06532	25.3
97.10157	37.3
98.16058	12.2
98.98499	12.2
104.10741	65.2
105.06979	16.7
107.08600	36.6
109.10131	38.9
111.08086	14.7
111.11755	13.6
119.08607	14.9
121.10139	42.8
123.11697	22.2
124.63902	10.4
124.99978	26.7
129.06956	9.1
135.11679	40.1
140.14832	11.1
149.13231	15.7
163.01657	11.6
184.07326	100.0
209.07079	9.5
219.21048	42.1
230.14874	11.6
237.22078	100.0
311.25763	76.8
329.26736	22.2
337.27277	18.5
508.34265	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	509.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.1
57.03415	10.0
57.07058	3.8
61.55967	2.4
67.05501	37.3
69.07062	16.7
71.08607	3.5
71.22265	5.1
79.05476	12.5
81.07053	33.3
83.08609	10.5
91.05506	6.0
93.07027	11.9
95.08593	22.9
97.06490	5.6
97.10136	7.4
98.98462	47.6
105.07011	8.5
107.08594	8.1
109.10163	12.7
111.08023	3.7
111.14120	2.7
119.08563	7.7
121.10111	4.3
123.11714	4.7
133.10112	5.1
135.11687	4.1
135.53822	3.2
145.10109	3.8
155.01022	8.1
173.02089	9.4
209.81711	2.6
263.23715	3.9
309.05377	3.1
311.25809	3.3
314.68396	3.0
337.27325	100.0
440.21747	3.2
449.24139	2.8
509.36700	6.4
509.88678	2.8
523.51630	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	509.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.01863	19.6
55.05509	51.6
57.03435	15.1
59.05003	4.9
65.03942	3.7
67.05500	100.0
69.03424	9.8
69.07068	19.0
69.31474	11.3
69.31902	11.4
70.06591	2.6
71.01331	3.3
71.04989	19.5
73.02911	2.8
79.05489	75.6
81.02975	2.7
81.03413	29.3
81.07053	69.9
83.01331	4.2
83.04984	24.0
83.08610	29.1
85.02905	12.6
85.06549	7.5
87.04420	2.4
87.88087	2.4
91.05473	54.7
93.07036	60.5
94.90047	2.0
95.04958	44.0
95.08598	31.2
97.02879	6.8
97.06533	15.3
97.10166	27.6
98.21439	4.9
99.04411	3.9
101.05984	3.1
103.05540	2.6
105.07029	33.2
105.07685	3.7
107.00539	2.1
107.04958	34.1
107.08586	37.5
109.02868	3.1
109.06513	30.0
109.10148	43.0
111.04447	7.1
111.08086	8.4
116.56870	2.0
117.07008	15.6
119.08578	21.3
121.06506	21.6
121.10128	23.1
123.04451	3.5
123.08069	9.4
123.11690	6.6
125.09624	23.1
129.06964	10.8
130.87234	2.4
131.08557	17.5
133.06500	5.0
133.10132	16.3
135.08073	13.7
135.11659	13.8
137.09625	4.2
139.11099	3.0
143.08540	5.5
145.06471	8.0
145.10129	20.3
147.08051	8.5
147.11679	8.1
149.09610	8.7
151.11186	4.5
153.09096	5.3
153.12764	5.1
157.10124	5.7
159.08060	2.8
159.11649	4.9
161.09610	5.1
161.13277	2.2
163.11200	23.5
165.12767	2.7
167.08710	2.4
167.10670	7.6
169.10190	3.1
171.08186	3.2
173.09595	5.3
173.11729	7.8
173.13182	4.7
175.11194	7.0
177.12773	3.4
181.12170	4.4
185.13135	2.5
189.11192	13.9
191.10641	3.5
191.14317	5.8
193.12227	9.8
199.13304	8.8
201.12759	3.8
205.12283	2.5
209.11696	12.1
211.13292	7.2
213.66579	2.4
219.11655	3.2
219.13762	20.6
223.13307	6.0
227.12750	17.8
233.15401	7.7
237.14812	4.5
249.14874	2.2
255.13985	2.8
267.15869	5.4
273.14740	6.5
273.17114	6.1
283.15359	6.8
293.17444	8.7
339.23026	2.9
349.21570	10.2
357.24094	3.1
367.22699	28.5
368.24954	9.0
385.23615	26.2
389.22928	3.0
403.24832	10.3
417.26364	3.2
419.62314	2.8
435.27435	2.4
437.25443	11.9
441.26352	5.1
459.27365	29.5
477.28561	18.8
491.29703	10.8
509.26825	37.9
510.28000	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	508.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
56.05020	0.4
57.03413	0.3
58.06593	0.4
59.84005	0.2
60.07880	0.4
60.08158	6.3
67.05482	1.0
69.07042	0.8
69.90305	1.4
71.07364	2.6
76.10986	0.2
79.05495	0.3
81.07037	0.7
83.08621	0.4
85.10881	0.2
86.09696	28.2
91.05475	0.4
93.07050	0.3
95.08591	0.8
96.05261	0.3
97.10167	0.3
98.20679	0.2
98.98455	3.2
104.10735	2.9
109.10127	0.5
121.10114	0.4
124.99989	21.7
143.01025	0.6
184.07320	100.0
185.07646	0.6
229.88118	0.2
263.83340	0.3
278.66800	0.2
291.25052	0.2
301.19968	0.3
321.07581	0.3
325.27167	0.3
490.32916	1.2
506.39783	0.3
508.34290	1.5
522.36188	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	508.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.7
55.05511	18.0
57.03429	4.0
57.07095	1.2
58.47100	1.2
59.04997	1.2
65.03943	1.2
67.05499	21.0
69.03413	2.8
69.07068	15.0
71.04971	2.9
71.08280	1.5
71.08633	16.9
71.60239	2.3
79.05491	16.4
80.74879	1.0
81.03407	6.6
81.07057	17.4
81.88641	1.1
83.04977	4.5
83.08610	8.9
85.06581	1.2
91.05482	8.6
93.07034	12.7
95.04965	7.5
95.08602	9.3
97.02895	1.9
97.06541	1.8
97.10177	9.9
98.98426	4.0
99.08091	13.3
105.06999	6.3
107.04901	3.6
107.08585	9.0
109.06516	3.9
109.10148	7.6
111.08080	3.0
117.07004	3.6
119.08562	3.9
121.06523	2.4
121.10117	3.3
123.08019	2.0
125.09624	9.0
127.03887	1.4
131.08545	2.7
132.92197	1.1
133.10135	3.3
135.08012	3.1
135.11664	2.0
139.11143	1.9
145.10115	2.8
147.11612	1.9
149.13306	1.8
151.11168	2.4
163.11134	2.9
167.10651	1.4
173.09619	1.5
177.12747	2.6
183.10313	1.5
189.11224	3.4
227.12752	1.5
267.15842	1.4
273.06635	1.3
275.20181	5.9
293.21097	68.7
318.24490	1.5
336.25250	1.7
349.23663	2.8
367.24777	100.0
368.25043	2.3
429.19992	2.3
448.18796	1.3
472.33112	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	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01230	2.2
53.03941	3.1
55.01878	1.7
55.05505	26.1
57.03428	7.1
57.07070	28.4
59.04995	2.3
65.03935	3.2
67.05501	100.0
69.07062	20.6
69.94801	4.1
69.95214	4.7
71.04986	4.9
71.08625	16.5
79.05483	32.7
81.03410	7.7
81.07048	84.5
82.03741	1.9
83.04980	4.7
83.08615	23.8
85.06541	4.3
85.10176	7.1
91.05470	27.3
91.44609	1.5
93.07038	47.0
95.04969	7.5
95.08596	50.9
97.05939	1.7
97.06528	6.3
97.10162	16.3
105.07030	16.3
107.08581	25.9
109.10153	55.3
111.08066	4.7
111.11672	2.4
117.07008	9.5
119.08585	13.0
121.06522	1.7
121.10110	15.3
123.11702	11.5
125.09638	6.3
125.79070	1.6
128.06285	2.1
129.06999	1.9
131.08548	11.1
133.10104	15.7
135.11662	10.6
137.09630	2.6
137.13239	5.2
139.11113	1.9
143.08536	2.4
145.10114	8.7
147.11711	8.0
149.09697	2.5
149.13258	14.6
153.09140	2.0
159.11728	9.7
161.13272	5.9
163.14830	3.1
171.11765	2.2
173.11717	14.8
173.13300	6.7
175.14778	2.1
177.12781	3.1
187.14847	4.2
189.11270	7.4
193.12289	2.4
193.95079	1.7
195.13812	5.1
227.12775	10.7
227.17818	1.7
229.14339	27.1
239.23700	4.2
259.20557	1.9
261.22128	18.9
279.23123	2.2
303.05173	2.3
317.24774	2.4
335.25699	14.5
379.29895	3.9
397.31042	6.8
409.98624	1.7
415.32089	5.0
433.33026	4.6
471.34564	4.5
489.35641	27.3
507.27097	15.9
507.40970	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	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01230	2.2
53.03941	3.1
55.01878	1.7
55.05505	26.1
57.03428	7.1
57.07070	28.4
59.04995	2.3
65.03935	3.2
67.05501	100.0
69.07062	20.6
69.94801	4.1
69.95214	4.7
71.04986	4.9
71.08625	16.5
79.05483	32.7
81.03410	7.7
81.07048	84.5
82.03741	1.9
83.04980	4.7
83.08615	23.8
85.06541	4.3
85.10176	7.1
91.05470	27.3
91.44609	1.5
93.07038	47.0
95.04969	7.5
95.08596	50.9
97.05939	1.7
97.06528	6.3
97.10162	16.3
105.07030	16.3
107.08581	25.9
109.10153	55.3
111.08066	4.7
111.11672	2.4
117.07008	9.5
119.08585	13.0
121.06522	1.7
121.10110	15.3
123.11702	11.5
125.09638	6.3
125.79070	1.6
128.06285	2.1
129.06999	1.9
131.08548	11.1
133.10104	15.7
135.11662	10.6
137.09630	2.6
137.13239	5.2
139.11113	1.9
143.08536	2.4
145.10114	8.7
147.11711	8.0
149.09697	2.5
149.13258	14.6
153.09140	2.0
159.11728	9.7
161.13272	5.9
163.14830	3.1
171.11765	2.2
173.11717	14.8
173.13300	6.7
175.14778	2.1
177.12781	3.1
187.14847	4.2
189.11270	7.4
193.12289	2.4
193.95079	1.7
195.13812	5.1
227.12775	10.7
227.17818	1.7
229.14339	27.1
239.23700	4.2
259.20557	1.9
261.22128	18.9
279.23123	2.2
303.05173	2.3
317.24774	2.4
335.25699	14.5
379.29895	3.9
397.31042	6.8
409.98624	1.7
415.32089	5.0
433.33026	4.6
471.34564	4.5
489.35641	27.3
507.27097	15.9
507.40970	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	507.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.05504	12.5
56.96571	2.7
57.03432	6.5
57.07074	3.5
59.05000	2.2
61.02923	5.2
65.03944	2.6
65.63846	1.4
66.73416	1.4
67.05502	20.8
69.03428	13.8
69.07064	26.2
70.06580	8.3
71.04974	4.2
71.08611	1.5
71.59859	1.9
72.08147	4.9
73.02920	3.5
77.53690	1.4
79.05479	11.9
81.03408	12.9
81.07056	43.4
83.04988	4.1
83.08618	10.8
84.08153	2.4
85.02907	18.7
85.06540	8.8
86.06035	1.7
86.09700	10.1
87.00831	2.4
90.65373	1.7
91.05473	12.5
93.07036	20.4
95.04960	7.7
95.08597	34.0
97.02906	9.3
97.06512	13.0
97.06944	1.2
97.10172	4.2
97.27206	1.7
99.04450	4.9
99.08080	3.1
105.01839	1.7
105.06998	10.1
107.04966	2.8
107.08583	20.2
109.02893	9.3
109.06531	3.2
109.10149	22.9
111.08075	7.0
111.11686	7.6
113.09637	1.7
113.59432	1.5
115.03954	1.9
117.06995	3.2
119.04949	2.3
119.08567	11.5
120.08083	7.9
121.02880	2.4
121.06499	3.3
121.10133	14.2
123.04449	1.6
123.08035	3.1
123.11703	16.7
125.05945	1.8
125.09605	3.2
125.13255	1.7
127.03893	12.2
127.11187	3.1
129.10271	1.8
130.29713	1.6
131.08557	5.4
133.10103	9.2
135.04425	2.5
135.08093	2.0
135.11723	7.9
136.07602	3.4
137.02322	4.0
137.05986	5.1
137.09613	6.9
137.13242	12.8
139.11179	3.8
143.08557	3.2
145.02873	2.1
145.04944	2.3
145.10117	4.8
147.04416	3.2
147.08020	2.1
147.11670	6.0
148.07562	2.7
149.09612	8.4
149.13260	12.9
153.01849	3.7
153.12680	7.3
155.08575	1.7
155.14331	3.9
157.10110	2.7
159.11670	4.2
161.05994	2.2
161.09645	3.1
161.13232	3.7
163.03923	13.4
163.07535	2.5
163.11147	2.0
163.14828	4.3
165.01891	2.7
165.09125	7.6
165.12776	2.3
167.14368	2.8
171.08191	1.8
171.11658	2.8
171.13817	3.8
173.02348	2.6
173.05847	1.8
173.13258	2.4
175.11171	2.3
177.16447	1.9
179.07033	1.6
181.12180	2.0
185.09615	1.6
185.13235	2.8
187.05997	5.9
187.07555	1.6
197.13226	1.5
201.05443	2.5
201.12521	2.2
215.07088	2.4
229.04994	6.2
229.12021	1.9
257.04523	3.0
259.09784	5.6
259.20544	1.9
260.10205	2.2
267.11234	1.6
279.26874	2.6
291.26645	7.5
297.27838	3.2
303.04971	100.0
304.05286	10.4
309.27881	11.9
327.28723	2.2
335.22818	1.8
345.29980	3.4
355.21759	1.7
464.17615	1.7
479.18350	2.0
489.12973	1.4
507.25729	3.0
507.32819	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	507.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.3
57.03428	9.6
65.03945	4.6
67.05168	4.9
67.05500	64.5
69.07056	12.6
71.04980	6.1
71.60739	6.0
79.05489	36.5
81.07053	51.9
83.08601	4.3
85.02911	4.0
89.90121	3.4
91.05465	24.8
93.07040	43.4
95.04945	3.8
95.08588	43.7
97.10124	4.1
98.98459	64.1
105.07018	21.6
107.08586	26.4
109.10137	16.7
115.52535	3.8
117.06984	5.7
119.08562	17.7
121.10138	18.4
121.10894	3.7
123.08034	4.9
123.11699	6.4
131.08533	14.5
133.10117	9.6
135.11700	10.9
141.87335	3.4
145.10126	8.2
147.11671	7.8
149.09618	4.3
149.13268	10.1
155.01013	14.4
157.91548	3.6
161.13223	9.2
171.11684	3.9
173.02054	7.6
173.13240	6.7
184.07327	5.0
243.20995	6.1
261.22165	14.8
298.52814	3.6
303.04968	13.9
317.24680	13.2
335.22021	5.8
335.25806	100.0
336.26117	5.2
463.66348	3.9
507.18619	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	507.2718
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03941	3.4
55.05509	11.9
57.03437	8.4
62.34847	1.7
67.05502	42.6
68.05827	2.2
69.03436	2.3
69.07054	9.4
69.78400	3.5
69.78800	10.3
79.05489	21.8
81.07052	41.0
83.04969	1.8
83.08630	6.2
85.02879	2.3
91.05461	15.3
93.07037	25.8
95.04987	2.8
95.08597	33.1
97.06512	2.9
98.98467	60.2
98.99112	3.6
99.94919	1.8
105.07033	14.7
107.08617	11.9
109.06487	2.8
109.10161	16.5
114.40305	1.8
116.99528	2.3
119.08596	6.4
121.10140	12.1
123.08088	1.9
123.11685	4.3
131.08582	4.3
133.10127	7.0
135.11688	7.1
137.13203	1.9
145.10144	3.4
147.11694	5.6
149.13239	3.8
155.01051	5.6
159.11679	2.7
161.13274	4.7
173.02122	11.0
173.13289	2.6
243.21077	3.6
247.05771	3.6
261.22073	6.9
303.05042	6.9
317.24857	4.7
335.25778	100.0
368.97513	2.0
507.35870	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	507.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42912	0.5
55.05504	4.6
57.03436	4.1
57.07072	17.4
67.05165	0.8
67.05501	10.6
69.07066	3.7
71.08630	11.9
71.34500	1.2
79.05491	3.2
81.03427	2.9
81.07054	9.0
82.03743	0.9
83.08624	5.3
84.08865	0.7
85.10185	5.1
89.06012	1.2
91.05469	2.3
92.74355	0.6
93.07021	2.8
95.04936	1.1
95.08606	8.9
97.10166	3.1
102.62438	0.5
105.07025	1.6
107.08556	1.6
109.10159	6.5
115.03671	0.8
119.08562	1.6
121.10126	1.6
123.11723	1.7
125.09638	0.8
131.08559	1.0
133.10104	0.7
135.11681	1.4
145.10118	1.0
147.07932	0.6
147.11661	0.8
149.13264	0.8
156.97484	3.4
174.98485	4.0
176.99216	4.4
194.73076	0.6
195.00301	100.0
196.12848	0.6
201.00104	1.2
213.00082	6.5
223.42419	0.6
227.12796	0.8
229.14461	1.5
231.01138	1.4
261.22141	1.6
269.02866	1.0
303.05060	1.9
313.27362	26.9
314.27701	1.0
335.25607	1.9
410.61694	0.6
415.22385	1.4
451.23026	1.5
489.25821	1.3
489.35693	2.0
507.26691	13.8
507.34509	0.8
507.39542	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	507.1125
Annotation	Quercetin-3-O-glucose-6''-acetate
Peak:m/z	Relative Intensity
57.03411	0.7
58.73666	0.5
61.02908	0.9
63.26164	0.6
68.99789	0.6
69.03443	3.2
73.02894	2.3
81.03415	2.8
85.02896	6.2
96.33378	0.5
97.02866	2.5
99.04474	1.1
109.02866	2.5
111.00781	0.8
119.76109	0.8
127.03911	6.2
133.04987	1.5
136.70483	0.5
137.02309	2.3
145.04967	2.3
153.01804	1.9
165.01851	0.9
187.06000	4.2
201.05438	1.8
205.07091	1.7
229.04990	2.8
255.25255	0.6
257.04474	0.7
269.34454	0.6
274.20450	0.7
277.71790	0.6
285.04028	1.1
303.04971	100.0
304.05518	1.0
311.08957	0.6
315.29388	0.6
334.92163	0.6
345.05603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1133
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.68094	0.2
53.03936	0.8
61.02906	0.7
65.03924	0.2
65.62711	0.2
67.63380	0.2
68.66971	0.2
68.99785	0.6
69.03065	0.3
69.03426	2.6
69.41646	2.0
71.04980	0.3
73.02922	1.4
81.03415	4.2
84.11836	0.2
85.02894	2.8
93.03413	0.3
95.04961	0.4
96.92362	0.3
97.02886	19.2
99.02850	0.3
99.04444	0.8
106.28427	0.2
109.02876	2.1
111.00811	1.1
121.02900	1.3
127.03915	4.8
133.04924	0.5
137.02339	4.3
145.04935	0.5
145.06508	0.3
145.07582	1.0
149.02310	0.5
153.01816	5.1
155.04889	0.3
163.03915	0.7
165.01845	1.9
166.02638	0.2
173.05977	0.7
179.03323	0.3
182.12149	0.2
183.02827	0.8
183.04332	0.4
187.04120	0.4
187.05998	3.4
195.02820	0.3
196.50334	0.2
196.66287	0.2
201.05429	1.7
205.05029	0.2
205.07053	0.2
216.47650	0.2
219.02655	0.2
219.06573	0.3
228.04198	0.2
229.04968	5.0
238.09602	0.2
247.05995	0.6
257.04440	3.2
274.04721	0.8
285.03946	1.1
294.46176	0.2
303.04971	100.0
304.05328	1.9
380.53644	0.2
428.51431	0.2
507.23322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85675	0.3
53.03945	3.0
55.01862	0.8
57.03421	0.9
61.02916	0.6
66.92156	0.3
68.99770	0.5
69.03424	9.8
70.95074	0.5
70.95456	0.5
71.04978	0.9
73.02899	0.9
81.03412	12.5
85.02419	0.4
85.02901	5.2
97.02882	5.2
97.72569	0.3
99.04437	2.1
103.03942	0.4
109.02870	8.5
110.99582	0.2
111.00806	1.3
121.02853	1.2
127.03911	7.3
137.02345	3.3
138.77739	0.2
139.03868	0.3
145.04950	1.2
147.43477	0.2
153.01822	3.6
159.34386	0.3
163.03885	0.6
165.01804	2.3
166.02637	0.3
173.06029	0.6
183.02916	0.9
183.04388	0.3
187.04292	0.3
187.06000	6.9
195.02919	0.6
201.05469	2.0
205.06908	0.3
228.04152	0.4
229.04959	5.1
247.06001	1.0
252.40144	0.3
257.04434	2.4
274.04684	0.8
280.27579	0.2
285.03961	1.2
303.04968	100.0
304.05222	1.4
322.65070	0.3
411.07227	0.5
467.06302	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	506.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50455	0.2
55.05500	0.7
56.05031	0.7
57.03428	0.2
58.06614	0.3
60.08159	7.7
64.92262	0.2
67.05492	2.4
68.05817	0.3
69.07083	0.5
70.06570	0.4
71.04989	0.3
71.07368	3.8
79.05478	0.9
81.07047	1.5
86.09699	34.9
87.52283	0.2
91.05481	0.6
93.07054	0.6
95.08603	1.0
98.20731	0.5
98.98460	3.6
104.10739	3.5
105.07003	0.3
107.04888	0.2
107.08563	0.5
109.10151	1.1
110.10500	0.3
119.08585	0.3
121.10170	0.2
124.99995	23.1
133.10130	0.3
137.09619	0.2
143.01012	0.5
147.11685	0.3
161.13266	0.2
184.07324	100.0
278.21869	0.3
290.90436	0.2
303.05008	0.6
359.66556	0.3
448.76398	0.2
456.71744	0.2
488.31403	1.0
506.31891	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	506.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.4
63.35448	0.7
70.06592	3.8
70.19691	1.5
70.20076	2.0
72.08143	1.0
79.05482	1.0
80.71529	0.7
84.08102	1.4
85.02889	1.4
86.09657	1.8
91.05482	13.0
94.51299	0.7
95.04921	0.8
98.21451	0.8
106.06532	2.4
107.04956	6.0
117.05784	1.0
118.06525	10.5
119.04957	9.9
119.07314	82.5
120.08147	5.6
121.06486	2.4
122.06032	2.3
123.04398	0.7
127.03871	1.4
130.06514	5.0
131.04921	1.0
131.07321	0.9
133.15453	0.8
134.06003	22.4
135.04427	1.7
135.06793	12.7
136.07565	29.7
146.06007	11.7
147.04396	3.5
147.06804	2.4
149.33949	0.7
150.05557	4.0
160.07579	3.4
162.05467	3.1
176.07040	5.5
179.08531	0.8
189.07034	0.9
207.08125	1.9
212.08397	0.8
223.07529	1.7
225.09172	1.2
235.07530	2.5
237.09125	2.0
240.10153	4.3
241.08463	1.6
251.07109	1.1
252.10190	13.2
254.11746	19.8
256.09665	5.7
264.10242	0.9
269.12836	36.9
270.11230	3.2
280.09592	4.8
286.10815	2.7
298.10715	6.9
315.13364	100.0
316.13760	2.5
325.11807	1.1
344.15338	1.7
372.16174	1.2
387.16815	1.4
388.15494	0.9
415.16699	2.3
432.19205	2.4
433.17377	3.6
434.20532	1.5
443.15854	3.4
460.18945	1.0
461.17084	13.3
478.19708	23.3
487.29221	0.9
489.16550	8.3
500.80640	0.8
506.18167	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	506.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01862	5.3
55.05268	1.5
55.05511	21.5
57.03445	4.8
57.03661	0.8
57.07064	1.3
59.04976	1.2
62.06075	1.4
65.03904	1.0
67.05499	27.8
69.03423	7.4
69.07064	29.5
71.04989	2.8
71.21535	1.9
75.03764	0.8
76.16595	0.9
79.05486	19.8
81.03417	7.4
81.07048	21.8
83.01353	1.0
83.04960	3.3
83.08622	7.8
84.57170	0.9
85.02900	3.2
85.06516	1.5
91.03954	1.1
91.05470	15.1
93.07037	16.8
95.04964	8.3
95.08603	8.4
97.02908	7.7
97.06527	4.9
97.10168	13.8
98.98438	2.6
105.07036	9.3
107.04956	4.4
107.08597	12.8
109.06525	3.0
109.10146	11.4
111.04419	1.3
111.08084	2.0
117.06996	3.7
119.08578	8.7
121.06481	3.1
121.10112	4.4
123.08027	1.3
125.09612	9.4
128.06230	1.5
129.07016	2.0
131.08588	5.4
133.10123	8.5
135.08044	2.5
135.11646	2.1
137.09654	1.4
143.08493	1.3
145.10139	4.5
147.08031	3.2
147.11658	3.3
149.09576	1.3
151.11148	3.6
153.09094	1.7
153.37534	1.0
157.10106	2.1
159.11681	2.3
161.09557	2.1
163.03920	1.2
163.11133	1.4
171.10255	1.0
171.11688	1.5
175.11151	2.1
177.12711	1.0
179.10548	1.1
189.11269	5.3
189.16461	1.0
198.05426	0.9
205.12225	1.9
216.06279	2.1
223.13283	18.2
227.12872	2.3
229.14293	1.2
253.14375	1.6
267.12198	1.5
267.15915	1.1
270.16824	1.1
273.18466	8.5
291.19519	55.6
303.04962	4.0
312.77261	1.0
316.22607	1.4
321.62289	1.1
334.23669	1.9
347.22061	5.1
365.23203	100.0
423.46927	1.1
427.18744	2.3
445.19901	1.6
506.12091	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	505.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93918	0.7
51.02369	1.0
53.03946	6.1
55.01858	2.2
55.05507	11.2
57.03426	1.9
57.07071	45.1
60.14264	0.7
65.03925	1.8
67.05499	32.6
69.03439	1.8
69.07062	12.1
71.04990	1.2
71.08626	31.5
71.34455	2.0
79.05486	14.8
81.03412	100.0
81.07051	31.1
83.04971	3.5
83.08612	30.4
85.10176	16.6
85.10651	0.4
91.05470	18.3
91.06004	1.4
93.07035	8.8
95.04960	22.7
95.08598	32.8
95.31443	0.8
97.02879	2.4
97.06528	1.4
97.10162	8.9
99.08140	0.8
99.11749	1.2
104.32622	0.7
105.07015	11.4
107.04958	6.0
107.08577	4.0
109.06509	2.1
109.10146	16.3
111.04424	2.2
111.08065	7.3
111.11716	1.3
115.05437	2.2
117.07016	2.0
117.44495	0.8
119.04897	1.3
119.08566	12.6
121.06506	2.2
121.10122	5.9
121.41232	0.9
121.66702	0.8
123.04437	2.2
123.08005	1.3
123.11686	6.4
125.13256	1.4
129.06999	10.6
131.08562	7.6
133.06456	3.6
133.10109	3.6
135.11728	1.0
137.09613	1.8
137.13269	3.5
142.07784	3.7
145.10194	1.1
147.08052	3.2
147.11676	6.8
149.09642	4.1
151.14862	1.6
157.10115	8.8
165.12744	1.3
175.11165	10.4
179.14343	2.5
193.12230	55.3
239.23735	8.7
249.14835	7.2
277.21695	2.6
438.63330	0.8
483.18454	0.7
505.38934	86.1
506.39172	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16651	0.7
50.40073	0.8
53.03940	5.6
55.01866	1.9
55.05511	14.3
57.03423	1.5
57.07075	49.2
58.15235	0.8
65.03935	1.5
67.05502	31.6
69.03437	2.6
69.07066	12.8
69.37306	6.2
69.37718	1.8
71.04991	1.3
71.08631	32.6
78.66469	0.8
79.05496	15.9
81.03416	100.0
81.07055	32.2
83.04984	2.8
83.08132	1.8
83.08620	30.2
85.06549	1.3
85.10181	18.6
85.10702	1.0
90.02969	0.8
91.05479	20.2
91.34832	0.8
93.07047	9.2
95.04967	26.8
95.05550	1.9
95.08607	33.3
97.02879	2.3
97.06514	1.5
97.10163	8.7
99.08092	0.9
104.44556	0.7
105.07026	13.5
107.04934	5.7
107.08587	3.8
109.06498	1.8
109.10146	17.0
111.04442	1.0
111.08083	8.6
111.11703	2.0
115.05457	1.6
117.06998	2.5
119.04940	1.4
119.08576	13.0
121.06509	3.5
121.10145	5.4
121.78847	0.9
123.04421	2.1
123.08076	2.0
123.11703	5.6
125.13309	1.4
126.74100	0.9
129.07013	10.7
131.08568	7.9
133.06491	3.7
133.10126	4.7
135.11754	1.2
137.09644	2.4
137.13249	3.6
142.07784	4.0
145.10167	1.8
147.08061	3.0
147.11681	6.6
149.09612	3.3
151.14787	1.4
157.10118	10.9
159.11646	1.0
165.12738	2.1
175.11198	9.0
179.14360	1.1
193.12242	60.9
194.12610	1.1
231.13927	1.8
239.23711	10.9
249.14908	6.8
281.50299	0.9
300.19351	0.8
431.34735	1.1
505.38901	96.4
506.39374	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	505.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
54.06028	1.6
55.01863	2.4
55.05505	17.7
57.03431	10.6
57.07059	2.7
59.04993	3.7
65.03934	3.9
67.05498	100.0
69.07055	9.7
69.97623	6.6
69.98041	3.2
71.04984	3.1
79.05487	26.8
79.62856	1.7
81.03410	4.2
81.07046	36.5
83.08606	8.3
85.02876	1.8
85.06525	5.8
91.05468	41.8
93.06462	2.7
93.07039	35.1
95.04958	5.2
95.08588	20.9
97.06516	2.6
97.10157	4.1
99.08104	2.4
105.07021	34.5
107.04890	1.9
107.08586	20.6
109.06509	2.4
109.10144	76.5
111.08046	4.4
117.07016	7.1
119.07773	3.5
119.08564	37.3
120.88692	1.9
121.06496	2.3
121.10114	13.6
123.08070	2.6
123.11690	2.8
125.09608	3.2
129.06969	5.7
130.07806	1.9
131.08548	14.1
133.10117	26.3
135.11693	13.7
137.09589	4.6
143.08545	6.4
144.09036	2.0
145.10097	12.6
145.29228	1.6
147.11681	30.2
149.09596	2.9
149.13228	5.9
155.10648	2.9
155.42389	1.7
157.10121	7.0
159.11676	12.1
161.13249	23.8
163.14767	3.3
170.65746	1.5
171.11638	9.1
173.11722	23.7
173.13271	6.2
175.14746	10.7
176.12041	2.0
177.12637	2.5
185.13237	7.8
187.14784	3.4
189.11194	2.9
195.11638	1.7
199.14833	3.5
227.12715	6.5
229.14330	53.2
231.21016	5.9
241.19498	23.8
243.21088	2.4
251.12502	4.3
259.20554	59.3
261.22198	3.1
269.12360	1.8
277.21689	2.2
315.23035	3.4
333.24228	28.8
413.30536	1.9
487.34119	8.9
505.27548	22.1
505.35022	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	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90014	1.1
53.03924	1.2
55.01861	1.5
55.05505	13.8
57.03431	9.1
57.07058	3.1
57.36293	0.9
58.97984	0.9
59.04985	2.9
65.03934	2.3
66.92520	0.9
67.05497	100.0
69.03435	1.2
69.07057	7.7
71.04980	3.1
71.08619	2.4
71.43079	2.0
74.52084	0.9
79.05486	24.7
81.03410	2.8
81.07048	31.5
83.08617	10.2
85.06531	2.9
91.05470	36.0
92.05021	0.9
93.07029	29.2
95.04954	6.5
95.08594	20.0
97.06541	2.3
97.10157	3.5
99.08076	2.3
105.07014	32.2
107.07877	0.9
107.08588	17.5
107.13628	0.9
109.06483	1.9
109.10144	63.7
111.08042	4.3
113.18408	0.9
114.27817	0.9
117.07011	8.7
119.08570	35.6
121.10147	13.8
123.11692	2.0
125.09616	2.4
128.06148	0.9
129.06993	5.3
131.08563	13.3
133.10117	26.6
135.08121	0.9
135.11688	12.3
137.09587	3.6
139.60130	0.8
140.14697	1.0
143.08569	5.4
145.10110	13.2
147.07965	1.1
147.10466	1.9
147.11667	28.3
149.09541	1.4
149.13245	6.2
151.11197	1.5
153.08760	0.8
155.10637	3.6
157.10124	5.8
159.11687	10.8
161.13243	19.1
163.11191	1.8
163.14836	2.1
171.11684	9.7
173.11714	21.2
173.13258	7.1
175.11188	1.2
175.14796	9.4
177.05753	1.1
179.14284	3.3
185.13228	7.4
187.14818	3.2
189.11215	1.4
189.16301	1.3
199.14796	4.4
213.16336	2.4
215.17949	1.7
217.19464	1.3
222.90762	1.0
227.12738	5.1
229.14336	43.0
231.21115	4.3
241.19484	20.7
243.21094	1.2
259.20560	54.1
260.20926	1.5
261.22131	3.7
275.19989	1.4
277.21591	3.4
315.23141	4.5
333.24213	24.5
349.23956	1.0
431.31461	1.7
459.97736	1.0
487.34247	9.8
505.35028	11.1
521.87482	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	505.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
55.05503	0.6
56.05033	0.9
56.96543	0.6
57.03444	0.6
61.02912	0.6
67.05479	0.7
68.83551	0.4
69.03410	1.4
69.07069	0.6
70.06591	5.3
71.14484	1.2
72.08160	2.0
74.06060	0.4
78.81236	0.4
79.05487	0.7
81.03396	0.8
81.07053	0.8
82.15797	0.5
83.05000	0.5
84.04489	1.4
84.08134	1.8
85.02883	1.9
86.09698	3.1
91.05471	2.1
93.07041	0.8
94.06584	0.5
95.04967	0.5
95.08592	0.5
97.02896	1.1
97.06504	0.7
105.07026	1.0
107.08602	0.6
108.08137	0.6
109.02889	0.7
109.06500	0.8
110.07162	0.6
112.87759	0.5
115.08666	0.5
116.04958	0.5
116.98693	0.4
119.04926	3.0
119.08520	1.0
120.06572	0.4
120.08089	1.7
122.06033	0.4
123.08044	0.7
127.03919	0.9
129.10233	1.0
130.05003	1.2
131.04907	0.5
133.10126	0.6
135.08035	1.1
135.11629	0.4
136.07578	1.4
137.05981	1.3
137.09618	0.5
138.09122	0.6
143.11781	0.5
144.04436	0.5
145.04961	0.6
146.05981	1.1
147.04398	6.7
147.07678	1.7
148.04741	1.5
149.04974	0.6
150.09189	0.5
151.07516	0.6
159.11627	0.8
161.05855	0.6
162.05443	0.7
163.11157	0.5
166.08604	4.6
172.03966	2.4
190.04964	7.8
203.05307	1.0
205.08908	0.4
218.41534	0.5
259.07938	1.1
299.14597	1.0
313.10391	0.4
331.10071	1.2
339.02737	0.7
339.52896	0.8
343.13181	0.5
343.16974	0.8
353.41614	0.4
395.06461	0.5
443.18848	0.5
461.19931	14.5
462.20453	0.6
487.21640	7.0
505.22525	100.0
506.22806	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	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94078	0.4
53.03936	0.8
55.01871	0.6
55.05508	4.8
56.02889	0.5
56.05014	0.6
56.96563	0.5
59.04991	0.8
61.02912	0.9
62.06078	0.9
67.05489	2.1
69.03438	3.6
69.07066	1.8
70.06576	2.0
70.87018	0.6
71.04977	0.9
71.08635	5.4
71.34636	0.6
71.34991	0.9
72.08135	1.7
73.02894	0.6
79.05489	1.8
81.03412	2.8
81.07071	3.1
83.04981	4.6
84.08133	2.7
85.02893	3.8
86.05651	0.6
86.06070	6.8
86.09685	1.3
91.05475	1.9
93.07025	1.6
95.04959	1.7
95.08588	2.5
96.08141	2.7
97.02879	2.3
97.06516	3.3
98.06046	0.6
98.09690	5.0
99.04438	0.9
99.08090	2.1
101.06018	4.9
103.05454	0.5
105.07001	1.9
107.08587	1.4
108.08134	1.9
109.02883	1.3
109.06483	0.9
109.10185	1.3
111.04433	5.2
111.08072	0.6
116.09887	0.8
116.10724	15.6
116.98473	0.5
117.07034	0.5
117.11121	0.6
119.08561	1.0
120.08109	1.5
121.10124	1.4
122.09660	1.6
122.39053	0.5
123.11691	0.6
125.06087	0.5
126.09106	0.6
127.03899	2.2
129.05482	3.5
129.06987	0.6
129.10196	0.6
130.05013	0.7
131.08524	0.7
133.10115	0.9
136.07581	0.8
136.11176	0.6
137.05962	1.4
137.09575	0.6
140.10690	0.8
142.08618	2.1
143.10655	2.0
145.04927	0.8
145.06354	0.4
145.10136	1.0
147.06532	2.4
148.07622	0.6
154.08647	0.7
154.15877	2.3
155.07018	1.1
157.10033	0.5
163.03951	0.8
164.10727	1.1
165.09204	0.8
166.15903	1.6
167.06915	0.6
168.17439	0.7
173.08063	0.7
178.15923	1.4
196.16968	6.0
204.05414	0.5
207.06398	0.5
208.13301	1.1
214.18015	100.0
215.18341	2.1
226.14377	5.9
244.15395	3.5
267.07837	1.5
273.09677	0.7
324.21634	2.0
342.22736	7.6
352.17822	1.1
376.23209	7.6
388.19699	3.8
406.20703	6.8
407.35132	0.6
450.24368	0.6
486.27005	2.4
504.21402	0.5
504.27841	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01846	0.4
55.05505	5.4
56.05028	0.8
56.96552	1.0
57.03420	1.2
59.04985	0.6
61.02903	0.9
62.06081	0.8
67.05489	1.8
69.03136	0.4
69.03426	6.1
69.07049	1.6
70.06589	2.8
71.04978	1.1
71.08627	6.9
71.71646	0.4
72.00011	0.4
72.08134	1.2
73.02895	0.9
79.05498	2.2
81.03411	3.7
81.07054	3.3
83.04964	4.2
83.08602	0.6
84.04458	0.6
84.08134	2.7
85.02892	6.2
86.06062	9.6
86.09692	1.2
87.04440	0.8
91.05444	2.4
93.07030	1.9
95.04930	1.2
95.08627	2.3
95.09104	0.4
96.08099	3.6
97.02880	3.9
97.06522	3.6
97.10151	0.4
98.06052	0.6
98.09684	5.7
99.04433	1.9
99.08084	5.6
101.06013	4.9
105.07021	1.1
107.08566	1.5
108.08090	1.8
109.02857	1.9
109.06470	0.5
109.10139	0.9
110.09618	0.6
111.04434	5.2
111.08062	0.5
112.07649	0.6
116.10726	21.8
117.07010	0.8
119.08549	2.2
119.78814	0.5
120.08094	1.3
121.06497	0.9
121.10172	1.0
122.09642	1.3
123.11680	0.6
124.07617	0.8
126.09125	1.0
127.03896	3.5
129.05441	4.0
129.10229	0.9
133.10141	0.5
135.07991	0.7
135.10399	0.6
136.07597	0.5
136.11256	0.5
137.05959	1.9
137.09625	0.6
142.08582	3.1
143.10637	2.2
145.02803	0.8
145.04892	0.9
145.10107	0.6
147.04416	0.6
147.06526	3.4
151.03859	0.5
153.09108	0.4
154.15875	2.0
155.06972	0.9
159.11681	0.7
163.03862	1.6
164.10715	1.5
166.15872	2.7
168.17482	1.0
170.03752	0.4
173.08118	0.8
178.15907	1.2
182.15370	1.5
184.13234	0.6
189.09103	1.3
190.12256	1.3
190.52585	0.4
196.16992	6.4
198.14932	0.6
208.13361	2.5
214.17999	100.0
215.07094	0.8
215.18410	2.2
226.14363	10.2
244.15442	24.2
259.09650	1.1
267.07898	0.7
273.09534	0.9
316.07800	0.5
331.02722	0.5
342.22690	9.4
352.17432	0.6
370.18253	0.6
376.23291	13.7
388.19678	4.5
406.20721	12.7
406.35556	0.5
460.22617	0.6
486.27023	1.8
504.20972	2.1
504.27969	5.9
504.35687	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	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
55.05513	4.6
56.05035	0.9
56.96561	1.3
57.03433	1.6
58.75919	0.7
61.02913	1.9
62.06060	1.1
67.05486	4.5
69.03423	7.5
69.07051	2.7
70.06595	4.3
71.04985	1.8
71.08623	8.4
71.21170	1.3
71.21500	1.0
71.70913	0.7
72.08128	2.4
73.02892	1.0
79.05464	3.1
81.03411	3.7
81.07043	5.4
83.04976	6.5
83.08590	0.9
84.08121	2.0
85.02902	6.8
85.06522	1.4
86.05573	1.1
86.06065	16.2
86.09693	2.6
91.05465	3.1
93.07029	2.8
95.04942	2.0
95.08617	4.1
96.08123	5.0
97.02906	5.3
97.06532	7.9
98.06023	1.3
98.09697	9.4
99.08083	8.5
100.07647	0.8
101.06007	4.7
104.05322	1.2
105.07015	2.4
107.04919	0.8
107.08588	2.6
107.76451	0.7
108.08064	1.7
109.02863	3.2
109.06528	1.9
109.10158	3.7
111.04430	5.7
111.08087	1.2
116.10728	25.4
117.07004	0.9
119.04967	1.1
119.08603	4.0
120.08102	2.1
121.02780	1.1
121.06457	1.0
121.10155	1.7
122.09686	1.2
123.08130	0.9
123.11689	1.0
124.07596	1.3
127.03883	3.1
129.05441	2.8
129.06993	0.8
129.10265	0.8
131.08536	0.9
133.03026	0.9
133.10120	2.6
135.08029	1.2
136.07573	1.4
137.05992	2.9
137.09625	4.9
140.10600	0.9
142.08627	10.8
142.12259	2.9
143.10672	4.9
145.04970	1.9
145.10126	1.1
147.08049	0.7
147.11632	1.3
149.09572	0.7
150.05780	1.6
151.07623	0.7
153.79716	0.8
155.06985	2.5
163.03902	1.9
164.10710	5.2
165.09100	5.1
167.07024	1.1
171.27461	0.7
173.02344	1.3
173.08136	2.0
177.05455	1.4
178.15877	1.1
179.03384	2.2
179.10892	0.8
180.13853	0.9
182.15459	3.8
184.13312	1.0
190.12260	3.4
193.68999	0.7
196.17033	1.1
197.04153	0.9
198.14873	1.4
208.13283	5.8
214.18015	19.0
215.05194	0.9
215.07059	2.2
226.12492	0.5
226.14362	32.8
244.15430	100.0
245.15758	2.1
259.09628	1.9
261.13361	2.1
267.07825	1.5
290.05353	0.8
312.13159	1.1
324.21570	3.2
342.18832	1.5
342.22751	21.6
388.19760	2.6
406.20682	11.6
460.22174	1.1
461.08420	1.0
486.16150	0.8
486.27499	1.0
504.21176	6.3
504.27716	3.6
505.10495	1.7
505.16962	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	504.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14878	0.5
53.03928	0.8
53.30982	0.5
55.05510	9.8
56.05030	2.5
57.05816	1.4
60.04512	1.1
61.02936	0.7
67.05499	0.8
69.03430	1.1
69.07060	1.1
69.51530	3.2
69.51939	1.1
70.06586	9.6
72.08150	100.0
73.02924	0.8
74.06080	2.8
75.42966	0.5
77.23195	0.6
79.05490	0.7
81.03423	0.8
81.07057	0.6
83.04980	1.6
83.06099	0.5
84.04487	2.5
84.08123	4.3
85.02901	1.7
85.04050	0.7
85.06534	0.6
86.06064	0.9
86.09699	54.2
87.05595	0.5
87.10011	0.7
88.03990	2.3
91.05482	1.6
93.07059	0.9
93.33768	0.5
95.04964	0.8
95.08617	0.6
96.08164	0.5
97.02883	1.1
97.06519	0.9
98.02411	0.8
98.06061	1.0
98.97589	0.6
101.07143	1.5
102.05538	1.5
104.64798	0.6
108.08112	1.5
109.02847	0.5
109.06522	0.9
110.07147	1.7
110.09669	0.7
111.04426	0.6
112.07575	0.5
116.07079	0.6
119.04947	1.0
120.06576	2.1
120.08114	0.7
127.03976	0.8
127.05054	3.1
128.10739	0.7
129.10239	4.8
130.05006	1.6
131.04950	0.5
134.02707	1.8
135.08090	0.8
135.11702	0.6
136.06131	0.6
136.07605	1.8
137.07857	0.5
138.09146	1.8
140.14374	1.0
141.10252	1.4
145.06081	1.3
147.04388	3.5
148.04797	1.4
150.02196	1.6
152.03731	3.5
154.08592	1.9
155.11838	1.1
156.10205	1.8
157.09724	10.6
163.03905	1.2
166.08658	1.1
173.05652	1.1
173.12817	0.8
177.05585	0.7
183.11307	2.1
187.10863	0.5
190.84543	0.5
195.11398	0.7
197.16537	0.7
200.13983	2.2
201.12332	11.6
205.08653	0.6
213.01675	0.6
213.12341	1.1
213.16101	0.7
215.13901	2.5
220.13248	0.6
229.11841	3.8
233.14906	5.4
238.14467	1.1
240.13470	1.6
244.13019	0.8
258.14517	1.2
270.04242	1.0
272.12381	39.2
281.14081	0.5
286.13925	4.2
310.17673	0.6
312.01721	0.6
324.06552	0.6
324.18188	1.2
325.06912	2.4
326.06577	0.6
330.16528	2.3
339.20438	0.9
342.19128	1.6
357.21277	21.2
369.17557	0.7
385.20822	9.0
387.18863	1.8
468.24509	0.9
478.81375	0.5
486.25729	3.3
504.12524	0.7
504.27054	4.1
505.19034	0.9
531.06799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
56.05043	1.4
60.04511	1.7
61.02913	1.5
65.54865	1.1
66.73820	1.0
67.05475	1.6
69.03422	5.3
69.07050	2.4
69.87393	5.3
69.87810	2.1
70.06586	11.0
71.05020	1.2
71.52739	1.1
72.08141	3.4
72.49860	1.2
74.11665	1.1
81.03417	5.5
81.07048	1.8
84.04493	3.4
84.08127	4.9
85.02900	11.2
86.09708	12.5
87.00824	3.8
87.04446	1.6
91.05434	2.0
91.65987	1.3
95.08588	3.1
96.08174	1.1
97.02878	8.0
97.06538	1.6
98.96345	1.1
99.04458	1.3
105.01879	6.7
105.07012	2.7
106.02937	1.5
107.08558	3.0
109.02859	6.6
119.08535	2.3
119.93790	1.4
120.08118	1.8
121.06516	1.5
123.04408	1.2
123.08066	100.0
124.03939	4.6
127.03908	8.3
129.10217	2.7
131.04939	1.6
136.07573	1.9
137.05977	2.6
145.04985	2.2
164.07050	4.9
175.11220	1.6
182.10040	1.1
213.03819	1.5
221.11716	21.2
231.05035	2.6
234.58957	1.7
249.09109	1.5
259.09277	1.3
268.08130	1.8
273.03806	1.4
305.01440	1.6
339.02051	1.6
446.59637	1.2
490.75079	1.3
504.21219	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	503.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64484	0.5
53.03918	0.5
55.01875	0.9
55.05492	0.6
56.05001	0.6
57.03423	0.9
60.14480	0.5
60.32317	0.5
61.02932	0.8
61.63977	0.5
65.03918	0.8
67.05486	0.9
67.83185	0.6
69.03416	2.4
69.07056	0.8
69.51689	4.5
70.06585	3.8
72.08138	1.4
79.05467	2.0
81.03397	1.6
81.07043	1.6
84.04487	0.8
84.08125	1.8
85.02898	5.3
86.09689	4.8
91.05461	4.2
94.04171	3.1
94.68628	0.6
95.04970	0.8
97.02907	1.4
99.04357	0.7
103.05465	1.6
104.06229	0.9
105.07025	6.1
107.04915	1.7
109.02882	0.9
109.06517	1.7
111.04417	0.6
115.05445	4.2
116.10714	0.9
117.07059	0.8
118.04131	0.7
119.04943	0.8
119.08586	1.6
120.08099	0.8
121.06490	0.9
122.03629	6.8
124.52698	0.6
124.99998	1.2
127.03890	0.7
128.06192	2.0
129.07002	1.5
129.10257	0.6
131.04926	1.5
131.08528	0.9
132.05693	2.5
133.06465	4.0
134.03621	0.6
137.05966	100.0
138.06297	1.3
141.06981	0.7
144.05678	0.6
145.06456	1.4
147.04385	1.6
147.08084	3.4
149.06015	1.4
157.06523	0.8
159.08025	3.0
160.05190	1.8
161.05963	13.9
163.07535	0.9
165.07005	0.7
171.08089	1.0
172.05212	1.0
175.07532	28.2
181.06328	0.7
184.05208	0.8
187.01836	1.5
187.07544	9.4
189.07001	0.9
190.07756	2.3
191.08521	6.2
197.09706	0.7
199.07523	8.6
202.07832	4.0
203.08565	5.7
205.06432	0.8
214.73334	0.6
217.08638	1.0
218.07190	1.8
219.08028	9.7
220.08774	3.2
221.09636	0.7
230.07243	0.7
231.08034	6.5
232.08792	1.4
233.09528	0.6
236.08307	1.0
245.03281	0.6
245.05763	0.6
247.07552	4.2
248.08310	3.3
249.09076	1.3
251.10638	11.8
259.07422	4.6
260.08359	1.4
261.09140	1.3
263.10666	3.9
264.07770	1.0
265.08533	0.9
275.07074	0.7
275.15921	0.7
276.07849	1.7
277.08545	2.2
279.10132	8.8
280.10623	1.0
291.10138	9.6
292.10898	2.0
293.08331	1.1
295.13028	0.7
296.10406	1.0
308.10315	1.2
311.09122	1.3
311.12726	24.8
323.12726	13.0
323.16199	1.0
324.11423	0.7
324.61853	0.6
358.98175	1.1
485.20004	1.0
503.21329	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	503.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32626	0.4
53.03943	2.5
55.01865	2.0
55.33950	0.4
56.05015	0.4
57.03434	3.5
60.04501	0.4
61.02922	3.3
67.05504	0.6
69.03425	19.9
69.07046	0.7
69.92596	1.5
69.93008	1.0
70.06585	4.9
71.04992	5.3
72.08149	4.3
73.02890	1.6
74.06049	0.5
78.33428	0.4
80.19721	0.4
81.03412	22.0
83.01324	0.7
83.04961	0.6
83.06078	0.6
84.04520	2.8
84.08137	3.7
85.02898	17.7
86.09695	4.4
87.04436	1.3
87.05600	0.6
88.03984	0.5
91.03934	0.7
91.05463	1.8
95.04930	0.5
97.02880	6.8
98.97571	0.5
99.04449	7.0
101.07097	0.4
102.05510	0.8
105.06999	0.5
109.02884	3.0
110.07136	0.9
116.07050	0.6
117.05452	1.5
119.04926	4.6
123.08027	0.5
126.05447	0.5
127.03921	3.2
127.04748	0.6
127.08635	0.4
129.06601	0.5
129.10228	2.0
129.38466	0.4
130.04959	0.4
133.07632	3.0
134.05997	0.8
135.09087	0.6
136.07564	1.6
137.05966	0.8
145.04971	2.6
147.04393	14.1
147.07555	0.5
148.04739	0.4
160.07555	0.7
161.07098	7.2
163.08656	5.3
167.05524	0.6
179.08141	1.2
189.06578	5.9
191.08119	6.6
201.12405	0.5
206.06870	1.0
207.07635	100.0
208.07976	1.2
219.07852	0.8
221.09216	0.5
229.09776	0.6
231.07622	0.7
247.10635	0.6
249.08698	1.8
287.10248	0.9
300.15540	0.5
305.11191	2.9
323.12347	33.5
324.12241	0.5
341.13416	86.3
342.13760	0.8
359.42795	0.4
503.20303	0.9
503.32172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.05496	1.1
56.05029	0.7
56.16808	0.4
56.96555	0.8
60.04518	0.9
61.02903	0.4
65.03926	1.1
66.77598	0.4
67.05501	0.8
69.03415	1.4
69.05119	0.4
70.06590	8.3
71.06922	0.6
71.59013	0.6
72.08153	4.0
73.08496	0.5
73.72677	0.4
74.06081	0.7
81.03408	0.9
83.04982	1.3
83.06091	0.5
84.04501	2.7
84.08132	4.5
85.02898	2.0
86.09198	0.8
86.09698	9.4
87.05573	1.0
91.05474	12.8
95.04974	1.1
97.02901	1.2
98.06040	0.4
98.97567	1.0
99.04460	0.4
101.07157	0.5
102.05527	0.8
107.04916	0.7
107.08559	0.5
107.72980	0.4
109.02905	0.7
109.06509	0.4
110.07149	1.1
111.04433	1.2
119.04937	29.6
119.08569	0.6
120.05317	0.7
120.08086	1.0
121.06507	0.5
122.06040	0.5
123.08122	0.5
127.03944	0.7
129.05420	0.4
129.10237	2.5
130.04955	0.5
136.07536	0.6
137.05984	0.8
139.03831	0.6
147.04401	100.0
148.04738	1.6
148.05936	0.6
150.09192	0.6
161.05885	0.4
163.11140	1.1
165.05341	0.6
173.12938	0.6
177.05504	0.7
178.08604	0.4
195.11407	0.4
213.08983	0.6
215.13911	1.3
219.01782	0.5
237.02565	0.5
237.14893	0.5
241.10292	0.5
243.13339	0.9
258.14575	0.6
261.14459	1.6
299.05765	0.5
321.09671	1.3
437.88959	0.5
468.67224	0.5
503.21317	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	503.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45774	0.2
55.05497	0.2
56.02382	0.2
56.05014	0.2
56.96564	0.3
57.03421	0.2
60.66380	0.2
65.03917	1.5
65.51198	0.2
67.05498	0.4
69.03409	0.4
69.07029	0.2
69.83770	1.1
70.06585	2.4
72.08155	1.5
72.13647	0.2
74.06109	0.2
79.05510	0.2
83.04974	0.6
84.04505	1.8
84.08150	1.2
85.02879	0.6
86.06052	0.3
86.09699	6.9
87.10030	0.3
91.05470	12.6
93.07014	0.3
95.04949	0.6
97.02881	0.2
98.68466	0.2
102.05537	1.0
105.07026	0.2
107.04925	0.2
111.04436	0.7
119.04930	27.8
119.71600	0.2
120.05241	0.3
120.08099	0.3
121.02813	0.2
124.99995	0.3
127.03948	0.4
129.05533	0.3
129.10237	0.7
130.04984	0.3
130.10580	0.2
133.06384	0.2
136.07620	0.3
137.05957	0.3
139.03925	0.4
147.04395	100.0
148.04750	1.7
148.05969	0.5
159.09227	0.2
165.05464	0.8
167.99193	0.2
176.49536	0.2
177.00648	0.3
177.18958	0.2
184.07248	1.0
185.07805	0.3
197.12811	0.4
215.13965	1.1
225.12201	0.3
243.13353	1.2
261.14438	1.4
299.05502	0.5
321.09784	1.0
338.20752	0.3
413.21216	0.2
455.68698	0.3
503.20709	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	503.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94376	2.1
56.96560	21.5
69.03421	4.6
70.06594	5.6
70.44548	1.8
71.59441	2.1
73.02916	2.8
81.03402	3.0
84.04504	2.5
84.08137	5.3
85.02893	6.1
86.09711	3.5
97.02887	3.6
98.97582	8.3
104.65132	1.9
112.99124	30.9
116.98613	8.1
119.00111	1.9
119.01956	2.0
119.04953	2.6
121.01672	2.0
127.03932	5.7
127.20020	2.0
128.98579	3.8
129.10233	2.7
131.00159	87.9
133.01672	1.8
134.99602	3.8
139.68378	1.7
143.00107	4.6
144.08096	1.8
144.98035	2.2
145.05020	1.9
146.32468	1.8
146.99591	3.4
147.04395	5.8
149.01212	100.0
158.99625	4.5
161.01213	6.1
162.99136	4.6
167.02255	15.8
170.05069	2.3
175.02776	11.0
177.00766	3.4
181.00160	3.1
186.99106	3.4
189.00792	3.0
193.00157	2.6
193.03827	28.1
201.00658	2.8
205.00215	6.0
211.04892	24.3
216.05455	2.6
219.01765	4.0
223.01231	14.4
235.04883	11.4
237.02780	2.4
241.02248	2.6
242.08131	3.6
247.01283	8.0
247.04852	2.7
253.05930	3.9
261.02798	2.9
261.06348	12.6
263.04150	2.5
265.02274	5.8
265.05872	2.2
272.06519	3.8
273.07971	2.2
277.02319	5.0
279.07483	5.4
281.07529	2.6
281.57050	3.2
287.04291	3.4
305.05396	9.8
311.10123	5.2
321.04684	2.5
321.10535	2.4
323.06485	15.8
349.04340	19.4
349.07996	3.2
367.05402	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.05500	7.8
56.04811	0.8
56.05032	8.1
57.03424	1.0
58.06599	0.9
67.05490	1.3
69.03421	3.6
69.07059	12.8
69.62952	4.7
70.02962	1.0
70.06586	10.1
71.04974	1.1
72.08149	30.5
73.02898	0.8
74.06072	43.6
79.05484	1.6
81.03419	3.0
81.07050	2.2
82.06568	2.2
83.04966	6.5
83.06116	0.9
83.96363	0.7
84.04501	22.8
84.08143	7.9
85.02904	3.6
86.06060	15.6
86.09697	100.0
86.24139	0.7
87.10070	0.8
88.03983	0.8
91.05473	1.6
93.07032	1.7
95.04960	1.0
95.08587	1.2
96.08116	5.2
96.09151	0.8
97.02898	2.9
97.06520	1.8
98.02402	0.9
98.06071	1.2
98.09684	8.5
99.04473	1.9
101.06026	3.8
101.07145	7.7
102.05542	2.0
105.06992	0.8
107.04954	1.0
107.08598	1.5
108.08105	1.2
109.02850	6.4
109.06482	1.1
110.06028	0.8
110.07191	1.3
111.04435	7.9
114.09156	19.1
115.07592	1.5
115.09930	0.9
116.10722	19.4
119.04887	0.8
119.08588	0.9
120.08099	1.5
121.02856	2.9
121.06494	0.9
121.10141	1.0
122.09707	1.7
123.08036	1.7
124.07576	2.2
124.11255	1.5
126.09113	2.0
127.03900	2.8
128.10750	0.9
129.05437	1.3
129.06580	1.1
129.10214	4.4
130.04021	1.6
130.04991	30.4
130.08688	0.8
130.10611	0.8
136.07611	0.9
138.09171	0.8
140.06953	0.8
142.08618	16.2
142.12248	1.5
143.11765	1.7
145.06131	0.9
147.07629	40.1
148.06102	0.8
152.10674	2.3
154.08614	11.9
155.07022	2.4
163.07471	1.0
164.10695	4.2
166.08554	1.8
169.13399	1.4
172.09663	2.1
177.73463	0.8
182.15385	2.6
183.11272	4.1
185.12872	1.9
187.14386	14.2
190.12280	1.8
197.12927	2.1
198.14882	1.3
202.10689	5.1
206.11842	0.8
208.13373	3.6
212.16426	13.0
215.13910	4.6
225.12326	21.5
226.14368	13.2
230.17580	1.0
242.14955	0.9
243.13380	26.8
244.15437	17.6
244.17830	1.1
260.16022	10.2
262.39764	0.7
273.09869	0.8
284.19733	1.0
290.15933	0.7
310.21219	7.5
316.13663	1.4
324.07266	0.9
328.22156	4.4
334.15045	3.1
338.20660	15.8
340.21118	0.8
352.17532	5.2
356.21811	3.0
361.20947	2.3
370.18582	5.0
388.19641	24.8
435.43936	0.8
484.25714	2.1
487.85107	0.9
502.19278	1.4
502.26401	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	500.262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01860	0.6
55.05500	2.6
56.05029	2.4
56.29980	0.6
57.03436	0.9
58.06608	1.5
59.05022	0.8
59.07414	0.7
60.04528	1.1
60.07870	1.0
60.08162	16.8
61.02923	0.6
67.05508	3.0
69.03416	1.6
69.07062	2.6
70.06587	8.3
71.05016	1.3
71.06507	1.5
71.06992	1.1
71.07352	5.2
72.08149	3.7
79.05499	2.6
81.03405	4.1
81.07054	3.4
81.52826	0.6
81.96989	0.5
83.04986	1.6
83.08620	1.2
84.04501	4.0
84.08128	4.0
85.02905	2.9
85.06544	0.9
86.06072	1.7
86.09702	53.2
90.94770	0.6
91.05478	3.2
93.07034	2.9
94.06576	0.6
95.04969	2.6
95.06087	1.4
95.08614	2.1
97.02881	2.3
97.06507	1.4
97.42066	0.6
98.09688	0.7
98.98444	3.0
99.04460	1.0
100.11246	1.0
102.05491	0.6
104.10739	100.0
105.07021	1.9
105.11127	0.6
107.04945	0.8
107.08558	2.1
109.02888	2.0
109.06576	0.8
109.10152	1.1
110.06048	0.7
110.07178	1.0
111.04449	1.0
111.08108	0.7
112.08739	0.6
113.05981	0.6
116.07090	1.0
117.03387	0.7
117.07005	0.7
119.04935	0.9
119.08577	2.1
120.08072	2.1
120.08887	0.9
121.06515	0.9
121.10124	1.6
123.08075	0.9
124.99995	27.2
127.03912	1.1
128.10698	0.6
129.06981	1.0
129.10245	1.3
130.04999	6.7
131.08606	1.8
133.10133	2.3
135.07930	0.6
135.11641	0.7
136.07565	2.5
137.05974	0.8
137.09616	1.3
138.05481	2.8
138.09145	1.2
138.44629	0.5
140.07062	0.7
143.01012	0.9
143.08597	0.9
145.02849	0.7
145.10103	1.4
147.11647	1.1
149.09612	1.0
152.07057	0.6
154.08607	2.4
156.06549	8.6
157.10117	0.9
159.11766	0.9
163.01494	0.7
163.03926	2.1
163.11156	0.7
164.04277	1.5
169.10014	0.9
170.08095	0.7
171.11655	0.6
172.09715	0.7
173.13196	0.7
175.11183	1.1
177.05513	0.7
184.07332	93.0
189.09068	0.7
189.12401	0.6
193.12186	1.1
201.12285	1.2
202.10724	1.6
210.14847	0.8
228.15765	0.9
252.09567	1.0
256.15469	1.5
258.11005	0.9
267.15936	1.0
283.06161	0.9
316.13849	1.1
326.45416	0.7
337.13681	0.8
432.21448	8.8
434.89285	0.7
450.22501	43.8
451.22784	1.7
456.30542	1.6
482.24969	0.9
500.19958	1.7
501.19238	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	500.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
56.05017	0.9
56.40116	0.3
56.96558	0.3
57.03415	0.3
57.29519	0.3
58.06590	0.6
59.04983	0.3
60.08161	6.0
67.05480	0.7
69.03405	0.4
69.07075	0.3
70.06584	2.7
71.04967	0.4
71.07369	2.5
71.59409	0.4
72.08128	1.0
79.05468	0.8
79.28802	0.3
81.03401	0.8
81.07021	0.5
83.04965	0.3
84.04478	0.5
84.08136	0.8
85.02888	0.6
86.06048	0.3
86.09699	29.6
87.04353	0.3
87.10007	0.5
91.05470	0.5
93.07037	0.6
95.08578	0.6
98.98449	2.4
104.10738	3.3
105.06995	0.4
107.08582	0.4
109.02884	0.4
109.10152	0.3
110.07154	0.3
119.08612	0.4
119.62553	0.3
120.08085	0.7
121.06516	0.3
121.10107	0.4
123.08024	0.5
124.99995	19.4
129.10229	0.4
136.07564	0.7
137.09619	0.5
143.01047	0.4
162.23325	0.3
177.12700	0.9
184.07324	100.0
185.07762	0.6
195.13799	0.5
199.96054	0.3
214.12531	0.3
257.72427	0.3
281.12344	0.3
287.05481	1.1
288.05667	0.3
323.13437	0.8
337.11551	0.4
358.95059	0.3
425.16110	0.3
432.21420	1.3
439.68884	0.3
450.22534	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	499.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
57.03430	2.7
57.07071	12.1
58.99570	1.2
60.08151	1.4
61.01146	0.9
61.02924	0.4
61.08488	0.4
63.02712	5.8
67.05497	2.8
69.07063	2.1
69.73964	0.3
70.01064	1.3
71.07363	0.8
71.08231	0.4
71.08625	8.6
74.01916	13.0
81.07052	4.2
83.08618	2.4
85.02888	0.3
85.10168	4.4
86.09690	5.0
87.10023	1.8
89.04243	100.0
91.05453	0.4
93.07016	0.3
95.08594	5.5
95.09158	0.4
97.02871	0.3
97.10165	1.5
98.21432	0.3
98.98451	5.4
102.28188	0.3
103.07551	0.5
104.10732	7.5
105.07009	0.3
105.11069	3.3
106.11208	1.1
107.01317	0.3
107.05280	18.2
107.08566	0.3
108.12852	0.3
109.10154	2.6
111.11699	0.3
123.11694	1.0
124.99991	33.8
126.00327	0.4
127.00426	1.3
140.56813	0.3
143.01051	0.9
155.00995	0.3
163.01573	1.2
166.02617	0.3
177.05377	0.4
181.02644	1.1
184.07349	5.9
185.07674	2.9
186.07764	3.1
187.01865	10.4
187.08124	0.8
199.03647	1.9
232.18683	0.3
239.23798	0.8
266.38452	0.3
283.26352	1.3
295.26392	0.3
313.27325	35.1
314.27591	0.8
316.28262	0.3
337.27118	0.4
419.25500	6.9
481.27536	0.9
481.33746	0.9
499.28491	4.1
499.34964	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	499.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
55.01868	5.8
55.05503	32.2
57.03428	29.3
57.07068	10.0
61.02917	57.4
65.03925	3.0
67.05496	95.2
69.03069	2.5
69.03422	37.4
69.07060	38.8
71.01344	7.3
71.04982	5.4
71.08619	4.0
73.02908	29.7
73.03294	1.9
75.04474	2.2
79.05482	35.9
81.03409	28.0
81.07045	100.0
83.04973	7.4
83.08610	27.5
85.02891	57.6
85.06531	3.0
87.04460	4.1
91.03947	37.7
91.04513	2.4
91.05461	24.6
93.07032	34.6
93.07618	2.1
95.04974	7.5
95.08596	72.3
97.02880	50.7
97.06512	7.4
97.10178	12.6
98.21539	2.0
98.44833	1.2
99.04440	10.2
99.08086	3.6
101.02356	11.6
103.03932	10.5
105.07011	18.7
107.04952	3.3
107.08577	19.0
107.11375	1.6
109.02863	11.7
109.06487	3.2
109.10141	33.2
111.04462	3.7
111.08080	4.4
111.11714	1.8
113.09648	2.5
115.03899	6.1
117.05486	2.5
117.07008	5.0
119.08563	16.2
121.06525	2.0
121.10130	17.5
123.08076	2.5
123.11697	15.5
127.03910	21.3
127.11126	1.6
129.05476	4.8
129.06998	3.2
131.08556	7.2
133.10129	16.2
135.08051	1.8
135.11668	10.9
137.13226	6.9
139.11194	3.1
141.05583	1.3
143.08585	2.4
145.04961	8.8
145.10094	5.2
147.11670	10.3
149.09621	1.7
149.13271	7.0
151.11179	3.2
151.14703	2.9
153.12746	1.5
155.07086	1.6
155.08545	2.5
157.10091	2.8
159.06532	2.9
159.11687	3.1
161.13219	10.7
163.14793	6.2
165.12724	1.8
167.14351	2.0
171.11723	1.6
173.13248	2.8
175.14798	8.2
177.16338	3.2
179.14348	3.6
183.06570	5.1
187.11084	1.5
187.14891	2.2
189.16376	3.6
195.00308	2.4
201.07590	3.7
201.16342	2.0
203.14352	1.5
207.17365	1.7
210.17921	1.2
213.16373	1.6
233.15218	2.3
245.22620	16.1
261.22067	3.2
263.23672	20.8
275.23584	1.5
301.25232	1.8
303.23291	4.1
305.24612	2.1
317.24765	2.7
335.25961	2.3
337.27325	90.1
343.26315	1.8
347.25699	1.7
353.24628	3.1
365.26889	4.6
371.25778	6.7
379.28812	1.5
389.26932	1.7
391.28519	1.6
395.28009	1.8
445.29205	2.0
463.30237	2.5
481.31537	4.7
499.32706	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.05495	0.8
55.84112	0.8
55.93518	3.4
56.94297	1.5
60.04507	1.1
67.05497	1.5
69.03425	1.1
69.07066	1.4
69.43887	7.4
70.06582	12.2
70.95846	3.5
72.08148	3.1
72.93774	7.5
79.05489	2.1
81.03389	2.4
81.07034	1.7
82.25492	1.0
83.04984	1.9
83.61732	0.7
84.04475	2.9
84.08133	6.0
85.02878	1.8
86.09694	3.9
88.96883	2.1
90.94776	4.2
91.05459	3.2
93.07026	3.6
95.04947	4.1
95.15590	0.8
97.02873	1.6
97.06548	0.9
105.07031	6.5
106.06505	1.2
107.04904	1.1
107.08582	1.2
108.08104	2.0
108.95851	1.5
109.02883	0.9
109.06518	1.6
110.07143	2.6
116.96371	1.0
119.04924	1.0
119.08545	2.6
120.08088	1.9
121.06482	1.0
122.06039	0.9
123.08059	0.8
124.07556	1.7
126.16459	0.8
126.98293	0.8
128.96399	0.9
129.07022	1.0
129.10239	3.1
131.08583	1.9
132.95821	4.4
133.10078	1.1
134.05998	1.4
134.97325	0.9
136.07585	2.5
137.05991	1.7
138.98439	1.0
141.06975	1.6
142.97835	1.8
143.08559	4.8
144.95767	1.4
145.06439	1.3
146.97446	2.2
147.04433	3.9
148.98894	1.2
150.96889	1.7
152.07016	4.2
153.00008	1.0
155.08577	4.7
156.09291	5.3
157.10078	4.2
158.97391	1.3
159.08069	1.0
159.11697	1.9
160.98897	0.9
162.96892	1.2
163.00540	1.3
163.02008	0.9
164.07031	1.1
164.99995	1.1
166.97882	1.7
168.06589	2.3
169.10107	1.2
170.08018	1.6
171.11656	5.0
172.98994	1.3
173.09563	1.1
173.13235	1.2
174.96889	2.5
177.03691	0.9
177.05492	1.1
179.01547	2.2
179.98622	1.1
180.99461	4.3
181.08409	0.9
183.98148	0.8
184.98981	1.8
186.96895	1.2
187.00468	1.0
192.99469	3.2
195.01027	3.3
196.98917	1.3
197.02438	1.1
199.00511	3.7
199.11108	2.4
200.02747	3.5
203.04939	1.4
205.03188	1.4
207.01131	6.5
207.33846	0.9
208.99026	0.9
209.02574	2.9
211.00572	1.8
213.01910	1.1
213.03716	2.7
214.04353	2.1
215.05119	4.4
217.03140	0.8
217.06703	14.7
219.04663	1.0
220.99031	1.7
221.02515	2.3
223.00473	1.6
223.04161	1.3
224.98444	3.6
225.02045	2.0
225.04146	0.9
227.05182	2.2
229.03156	1.2
231.01024	2.3
231.04593	1.2
235.00667	1.8
235.04134	3.0
237.02144	3.2
243.04665	2.5
245.02563	3.0
245.06256	2.5
247.04077	1.8
249.02130	1.6
259.00684	1.4
259.04187	1.3
260.31952	1.0
261.05569	2.0
263.03629	2.2
263.07254	2.2
275.04086	0.9
275.07208	16.4
277.01733	1.1
277.05045	1.3
279.06387	1.4
289.05347	1.2
293.08310	61.4
294.08508	1.3
300.10080	1.1
303.13309	0.9
307.06216	7.3
316.09872	3.8
319.06232	6.2
337.07288	32.6
338.07874	0.9
351.05188	1.0
360.08871	2.0
361.07367	3.0
379.08353	100.0
380.08691	3.4
391.08325	15.1
397.09344	1.2
499.12488	15.1
499.19150	4.8
499.26694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07366	1.1
52.75589	1.2
55.05510	2.0
57.07069	35.0
62.60281	1.2
63.45992	1.4
67.05493	2.2
71.08623	26.9
71.34567	2.9
73.06548	5.0
81.07050	1.9
83.08609	2.4
85.10174	20.8
87.04459	3.9
87.20969	1.2
89.06022	100.0
97.10167	2.3
99.11733	4.5
107.07041	6.9
107.87059	1.2
117.09138	3.7
128.40758	1.1
130.08633	3.2
133.08591	49.7
155.17914	4.8
177.11201	18.7
199.20624	3.1
207.54623	1.2
221.13812	1.7
239.14981	2.4
243.23140	5.9
283.17407	3.3
287.25668	6.1
327.20197	7.5
398.48132	1.4
481.37399	9.9
498.36710	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	499.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79945	1.0
55.94635	0.9
56.96566	3.2
57.41388	0.9
70.06577	4.1
76.46066	1.0
82.99849	1.5
83.17643	1.0
85.76336	1.1
93.38979	1.0
94.99870	1.3
97.02871	1.2
98.21495	3.0
98.97554	3.3
101.00844	7.2
103.02436	3.9
112.89603	1.9
113.00894	2.9
116.98641	1.7
119.01907	31.8
121.03488	3.9
127.02382	6.5
128.98624	1.1
129.03932	1.7
131.00165	4.6
131.01884	17.4
133.03438	5.7
137.02940	5.5
139.02403	2.1
143.00124	1.4
143.01875	22.3
145.03448	51.0
147.01314	3.5
149.01158	4.0
149.02960	4.6
151.04494	1.6
155.01874	25.0
157.03441	18.1
159.05031	1.7
161.02948	30.2
163.04506	7.6
167.01895	6.8
169.03474	4.4
171.01393	7.6
171.05003	2.9
173.02943	56.0
175.02997	1.2
175.04514	7.1
177.00697	1.6
179.01904	1.8
181.03502	1.9
183.01360	2.0
185.02928	48.0
187.04501	8.5
189.02438	9.5
190.95372	1.8
191.04028	4.7
193.03815	1.5
196.04562	1.6
197.02934	13.0
199.00845	3.1
199.04539	3.8
201.00673	2.0
201.02435	3.4
201.06026	1.4
203.03990	16.7
204.08710	1.2
209.03023	4.0
211.00836	1.2
211.04634	3.1
215.03954	11.3
217.01923	55.6
217.05476	2.8
219.01836	1.3
221.05031	5.0
227.03969	10.4
229.01909	10.1
229.05467	1.8
235.02957	29.0
235.05289	2.0
237.02821	3.2
239.03999	1.4
241.01797	1.9
245.05057	100.0
246.05067	2.1
247.02916	14.9
247.06619	2.3
253.04007	3.7
257.05011	11.7
263.06067	14.7
265.04050	3.0
265.11035	2.1
275.06082	16.4
277.04013	19.1
277.06863	1.0
286.07678	1.2
291.00458	6.5
293.07132	5.2
295.08658	4.1
301.04034	11.8
305.07193	11.6
319.05081	28.5
319.08438	1.5
325.07913	1.5
335.08209	1.8
337.06015	27.6
345.06845	1.7
363.07712	3.3
365.09241	8.5
381.08759	7.0
383.10202	2.2
409.07651	1.4
435.12576	1.9
439.12936	4.0
459.19174	1.1
461.05270	1.1
499.13464	35.1
499.25562	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	498.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30024	0.5
53.03959	0.6
55.05504	3.9
56.05026	0.8
60.04515	0.5
61.02923	0.9
67.05497	1.6
67.65333	0.5
68.70639	0.5
69.03427	1.0
69.07076	0.9
70.06589	100.0
71.04964	0.6
71.06924	0.8
71.59280	0.7
71.59670	0.7
72.08150	13.9
73.07694	0.4
79.05485	0.6
81.03403	1.6
81.07051	1.5
82.06547	0.6
83.04994	2.6
83.08621	2.3
84.04491	1.6
84.08127	3.2
85.02897	1.6
85.78167	0.6
86.09698	4.0
86.33011	0.6
90.42413	0.5
91.05471	1.3
93.07021	0.8
95.04936	0.7
95.08600	1.1
97.02895	1.7
97.06474	0.5
98.06071	1.2
98.09693	0.6
99.09212	5.8
100.07587	0.7
100.10590	0.6
100.11256	12.1
105.06952	0.6
106.02892	1.1
107.08624	1.2
109.02929	1.1
109.10120	2.6
110.07150	1.4
111.04443	1.4
116.07084	20.0
119.08571	0.9
120.08107	1.5
124.03970	3.4
126.09177	0.7
127.03915	1.3
127.08673	12.6
127.09558	1.0
128.06226	0.5
128.07106	1.3
129.10246	1.6
129.94281	0.4
130.04987	1.2
130.06557	2.4
132.08072	3.8
136.07570	1.3
137.02312	1.0
137.07893	0.5
137.09604	3.1
139.08620	0.7
144.07999	0.5
145.10097	0.8
152.05676	1.8
158.08337	1.2
159.09163	8.7
165.09109	2.5
169.07603	1.4
170.05994	1.2
173.09236	1.0
182.15407	4.0
183.10222	0.5
184.07401	1.2
185.16631	0.6
187.08644	3.3
209.16463	4.9
210.14857	4.8
213.12326	93.4
214.12636	1.3
226.19138	1.3
236.12302	0.7
245.12889	0.7
246.14890	2.3
248.14214	0.6
254.13480	2.6
254.63660	1.0
258.15982	2.8
268.08038	1.5
286.15451	4.1
303.04813	1.5
336.22830	0.7
427.19556	1.2
435.33301	3.4
446.51218	0.6
453.27927	1.1
453.34338	20.8
454.21033	1.0
498.19876	3.9
499.21060	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	498.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17994	0.6
55.05482	1.7
57.03433	6.3
57.07048	0.6
58.06596	25.9
58.61120	0.5
59.07115	0.9
59.07375	9.5
60.07878	0.6
60.08159	9.4
61.62346	0.6
67.05497	4.2
69.07047	2.1
69.49946	4.2
73.02864	1.1
74.35708	0.6
75.04478	3.9
79.05469	1.7
81.07053	4.3
84.08158	0.7
85.02865	2.4
87.04461	4.2
88.03973	1.2
91.05462	0.8
93.05523	0.7
93.07016	1.7
95.08591	4.0
97.06486	0.6
103.03954	0.7
105.05513	1.2
105.07018	0.8
107.08579	0.7
107.53344	0.5
109.10141	1.2
124.93760	1.5
131.07007	1.6
144.10193	7.9
162.11255	3.4
167.97946	1.3
172.14540	0.7
216.67963	0.6
218.13942	0.8
225.09018	0.8
236.14912	100.0
249.04182	0.6
272.93930	0.7
313.27307	1.4
396.46786	0.7
437.20432	4.0
480.36893	24.7
498.25665	3.4
498.37860	70.8
499.38086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.0
55.01878	10.3
55.05508	31.4
56.96562	5.6
57.03432	42.7
57.07072	12.3
57.48945	3.6
59.05017	4.4
59.07222	3.7
61.02919	59.1
65.03923	7.4
67.05499	99.4
69.03431	36.4
69.07063	29.7
70.06590	5.4
71.01368	5.9
71.04984	9.3
71.08627	5.6
71.60666	6.2
72.08128	3.9
73.02909	34.0
79.05054	6.1
79.05489	76.4
81.03413	34.0
81.07043	100.0
83.04984	8.3
83.08609	13.4
85.02898	78.1
85.06522	10.1
86.68594	4.0
91.03948	32.1
91.05473	56.1
93.07037	87.0
95.04975	24.2
95.08592	77.6
97.02879	50.0
97.06512	14.5
97.10177	6.9
99.04455	9.9
101.02385	5.8
103.03957	5.9
105.07019	47.9
105.08063	5.0
105.79823	4.7
107.04958	11.4
107.08587	51.9
108.27238	4.1
109.02872	8.9
109.06493	12.3
109.10148	38.1
111.08071	7.2
115.03967	4.8
117.05513	5.0
117.07003	25.2
119.08556	46.7
121.06471	7.1
121.10134	31.2
123.08027	9.4
123.11703	13.7
127.03896	15.6
128.06258	6.0
129.05519	9.0
129.06995	18.3
131.08554	42.9
133.06474	9.6
133.10132	26.9
135.08067	5.7
135.11696	20.8
137.13298	8.0
142.07918	5.9
143.08519	10.5
145.04935	8.3
145.06436	5.1
145.10075	34.7
147.08054	12.1
147.11678	19.0
149.09581	10.6
149.13257	15.3
151.11148	5.3
155.08499	7.0
157.06531	5.3
157.10130	9.4
159.08051	5.8
159.11700	19.1
161.09694	5.4
161.13237	14.3
163.14783	9.4
165.12788	4.5
169.10085	5.8
171.08037	4.4
171.11659	7.3
173.13271	15.4
175.11208	5.2
175.14908	6.8
177.12717	4.4
183.11606	8.4
185.13303	8.1
187.11150	4.6
187.14803	13.8
189.12756	7.2
199.11308	4.5
205.59203	4.0
243.21129	14.6
259.20700	4.2
261.22137	31.7
261.93143	4.2
273.21973	6.5
279.23373	4.5
303.23254	11.8
315.23352	10.0
317.24716	7.6
327.23294	6.7
335.25745	41.6
345.24567	4.5
349.06787	4.7
351.23212	12.5
357.24243	5.0
363.24966	5.6
369.24149	13.5
377.26797	7.5
387.25192	6.2
405.26508	4.8
419.27820	10.6
425.26758	5.6
431.28067	8.0
443.27945	44.4
461.28720	15.5
479.30017	14.3
497.31781	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33390	2.9
52.67329	2.7
53.03938	10.2
55.01859	10.7
55.05507	22.4
55.19695	2.9
56.62304	3.0
57.03434	35.6
57.07071	9.5
61.02923	73.0
67.05166	5.6
67.05503	100.0
68.00402	3.4
69.03426	40.6
69.07054	22.1
70.26183	3.0
70.34147	14.9
71.01333	5.6
71.04987	7.3
71.08628	4.5
73.02911	38.5
79.05048	4.9
79.05489	60.5
81.03413	34.3
81.07053	94.6
83.04975	8.8
83.08606	15.9
85.02420	5.2
85.02898	70.8
85.06541	6.5
87.04446	3.7
91.03953	41.1
91.05476	65.9
93.07041	81.9
95.04955	17.7
95.08044	5.5
95.08604	72.6
97.02886	58.3
97.06509	7.2
97.10143	5.3
98.20712	3.5
99.04456	8.5
99.08097	4.3
101.02378	9.4
103.03934	10.7
105.07025	58.9
105.47240	3.2
107.04940	6.7
107.08598	35.9
109.02850	8.7
109.06496	6.8
109.10149	29.3
111.04408	3.5
111.08092	2.9
115.03929	4.4
117.06991	22.1
119.08583	40.6
121.06503	4.0
121.10152	34.9
123.08051	7.5
123.11687	17.9
125.09653	4.8
127.03884	21.2
129.05469	8.3
129.06995	14.6
131.04901	3.8
131.08578	38.4
133.06497	9.2
133.10123	31.3
135.11703	22.8
137.09581	3.8
137.13284	4.1
139.11334	3.1
141.06987	5.3
143.08549	15.2
145.04927	4.3
145.06476	3.7
145.10130	27.6
147.08080	5.0
147.11699	17.2
149.09593	6.2
149.13242	18.0
155.08566	11.5
157.10120	11.3
158.39314	3.0
159.11722	16.2
161.13240	14.3
163.14812	9.6
169.10103	5.6
171.07976	4.5
171.11703	10.9
173.09685	7.4
173.13242	15.4
175.14827	10.1
179.08517	3.2
183.11667	5.7
185.13228	10.1
187.14848	7.5
189.12714	6.1
197.09489	3.1
199.14772	4.2
201.12849	4.6
211.11130	3.4
211.15047	3.0
213.16367	2.9
215.14334	3.7
224.04240	3.0
233.22575	4.4
237.18849	3.6
241.19519	4.0
241.50841	3.1
243.21147	15.6
245.22513	3.5
259.20538	6.4
261.22150	23.5
273.22015	5.4
275.23782	4.1
279.23428	4.1
285.22183	5.7
287.23837	4.3
297.22202	3.6
301.21545	5.5
303.23239	12.9
315.23294	4.5
317.24698	5.9
327.23126	5.5
333.24124	4.1
335.25748	49.6
341.24857	4.4
347.25821	4.5
351.23227	8.7
359.25974	3.8
363.25128	4.6
369.24026	18.6
377.26956	10.7
387.25204	10.1
389.26596	4.0
405.26233	6.1
419.27866	14.1
425.26898	4.8
431.27917	10.3
443.27975	42.3
461.28986	26.9
479.30258	15.4
497.24814	4.6
497.31192	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39027	1.0
55.05502	1.6
57.03424	6.8
58.06591	32.0
59.07371	11.6
59.89367	1.1
60.08158	11.0
62.78815	1.0
67.05494	6.3
69.07047	1.3
71.60785	2.0
73.02927	1.7
75.04473	5.0
75.86424	1.1
79.05491	3.2
81.07055	4.7
85.02899	3.5
86.09701	2.1
87.04456	4.7
91.05460	2.7
93.07035	3.8
95.08604	3.5
105.05531	1.3
105.07014	1.2
107.08599	1.5
107.73804	1.3
131.07025	1.8
131.08572	1.2
138.18547	1.2
144.10164	8.5
162.11261	4.8
172.95273	3.4
184.07390	2.7
190.96257	1.6
197.21809	1.1
222.06847	1.1
236.14899	100.0
328.05981	1.2
391.16800	1.1
395.83005	1.3
473.19604	2.9
478.35278	21.8
496.36319	69.2
497.36887	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	496.3392
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05503	0.6
56.05032	1.4
57.03427	0.3
57.07069	2.6
58.06577	1.7
59.07377	0.2
60.08155	18.7
66.16545	0.2
67.05492	0.7
69.07064	0.5
69.85080	1.1
70.06585	0.3
71.07365	6.4
71.08624	2.2
80.25503	0.2
81.07040	0.8
83.08621	0.6
83.69794	0.2
85.10155	1.0
86.09693	53.4
87.10016	0.4
95.08579	1.2
97.10147	0.3
98.98452	3.8
104.10729	100.0
105.11067	0.7
109.10146	0.5
123.11703	0.3
124.99986	30.6
143.01010	0.7
163.01553	0.9
176.94437	0.2
181.02527	0.2
184.07314	97.1
185.07646	0.5
222.03032	0.2
258.11133	1.2
287.51654	0.2
302.24472	0.2
313.27295	1.7
334.13123	0.2
358.92432	0.2
392.23248	0.2
419.25696	0.3
478.32864	8.0
479.33383	0.4
495.89896	0.3
496.33920	25.7
497.34293	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	496.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30305	0.1
55.05499	0.2
56.05031	0.5
57.03432	0.3
57.07078	0.5
58.06631	0.5
58.57969	0.1
59.01984	0.1
59.07384	0.2
60.08157	6.1
60.09462	0.1
67.05491	0.3
69.07067	0.3
71.07369	2.9
71.08625	0.3
75.65159	0.1
79.05479	0.1
81.07048	0.3
83.04762	0.1
83.08622	0.2
85.02860	0.1
86.09696	31.0
87.10003	0.2
91.05461	0.2
95.08588	0.4
97.10176	0.1
98.98452	3.0
104.10030	0.2
104.10730	3.4
109.10141	0.2
113.87264	0.1
116.99446	0.2
124.99990	21.0
143.01035	0.4
158.77518	0.1
184.07321	100.0
185.07668	0.9
191.96275	0.1
309.18765	0.1
313.27292	0.2
478.33151	0.7
496.33978	1.8
497.34167	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	496.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04660	1.1
51.49949	1.2
53.03932	2.5
55.01857	4.0
55.05495	7.1
56.05022	1.7
57.03428	7.1
58.37334	1.4
60.04503	1.2
61.02905	4.0
65.03922	1.9
67.05492	12.3
68.05016	1.3
68.40993	1.3
69.03426	7.3
69.07049	5.3
70.06580	13.0
71.04978	2.8
71.53867	2.9
72.08136	4.4
79.05098	1.4
79.05491	13.0
81.03410	100.0
81.07059	13.9
83.04964	5.7
83.08616	24.7
84.04490	2.7
84.08136	6.5
85.02889	6.1
86.06061	17.3
86.09702	9.3
91.03941	1.9
91.04973	1.4
91.05476	16.9
93.07038	9.5
95.04961	28.3
95.08580	5.2
97.02875	7.1
97.06524	4.4
97.10165	2.0
98.06070	1.4
105.07014	13.6
107.04931	6.8
107.08563	4.5
109.02885	2.3
109.06517	3.5
109.10155	4.1
110.07154	4.7
111.04396	3.3
111.08064	9.8
115.05421	2.2
117.07029	2.6
119.04892	3.3
119.08562	13.6
119.47718	1.5
120.08086	3.6
121.02857	4.2
121.06487	4.6
121.10126	5.8
123.04445	2.2
123.08085	3.0
124.03957	1.8
124.07587	1.2
127.03866	2.5
129.06996	8.1
129.10199	3.8
130.06537	2.9
131.08551	7.6
133.06491	2.7
133.10095	7.9
135.08051	2.0
136.07611	6.2
137.06036	1.3
137.09557	2.9
142.07726	2.9
145.02814	1.4
145.10007	1.7
147.04333	3.3
147.08011	2.7
147.11661	7.7
148.15031	1.4
149.09612	4.8
151.11163	1.8
152.07079	1.9
153.05647	1.8
157.10135	11.7
161.06026	1.7
161.09639	1.9
163.03905	1.5
163.11111	1.6
165.09123	1.9
165.12698	2.7
175.11163	15.0
179.10622	1.9
189.08981	1.7
193.12231	74.0
194.12492	1.8
211.13322	8.9
211.54955	1.3
235.13185	2.8
243.09016	1.4
245.04640	1.2
267.15894	59.3
281.78998	1.5
285.16925	66.0
286.17307	2.1
289.05243	3.1
299.14883	7.1
303.05023	1.9
304.93506	1.4
309.16949	10.5
363.17804	2.9
375.17715	1.3
382.22046	2.3
429.21243	2.2
452.19867	1.4
496.18796	7.1
496.28708	12.9
497.10660	4.4
497.19791	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	496.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.6
57.03432	0.5
57.21661	0.6
61.22990	0.5
67.05486	1.5
69.03422	0.9
69.07051	1.4
70.06581	2.1
72.08147	1.1
79.05473	0.8
80.29988	0.4
81.03413	1.4
81.07050	1.6
83.04956	0.7
83.08628	0.6
84.04474	0.6
85.02901	1.4
85.06521	0.5
86.06049	0.9
86.09701	3.9
87.10026	1.1
87.10509	0.5
88.99371	0.5
91.05461	1.0
91.35815	0.4
93.07015	0.8
95.04966	0.9
95.08591	1.7
97.02872	0.7
97.06503	0.6
107.08599	0.7
108.08109	0.5
109.06490	0.7
109.10175	0.8
110.78170	0.4
111.04345	0.5
119.08492	0.5
120.08082	1.6
121.10122	1.2
124.07558	0.5
124.79589	0.5
127.03905	0.8
135.11653	0.6
136.07578	0.8
137.09549	0.6
165.09071	0.8
177.16388	1.9
195.17464	0.7
205.99113	0.6
208.00555	1.4
213.18459	2.1
220.00612	1.0
226.01605	1.1
233.98381	0.6
238.01649	0.6
254.40025	0.5
257.09290	1.0
260.03754	0.8
261.03226	0.5
272.03781	0.6
273.03479	0.6
273.08932	0.5
281.03683	0.7
285.08694	0.7
286.05023	0.6
294.00903	1.1
295.05319	2.5
298.03903	0.8
299.04874	2.7
307.05252	1.0
311.04663	1.2
312.01770	1.0
313.06296	7.6
323.04779	5.6
325.06387	1.2
327.04196	2.9
339.04263	2.1
340.01422	0.8
341.05881	3.1
345.05368	0.7
351.04227	8.9
357.05188	0.9
367.03781	4.4
369.05310	100.0
370.05554	3.8
387.06335	14.2
410.08102	1.8
411.06390	1.3
429.07715	0.7
455.05444	7.8
461.23792	0.7
473.06433	4.3
496.18173	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	495.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01852	3.0
55.05509	7.2
56.05027	0.9
56.96569	0.7
57.03436	3.3
57.07064	1.2
59.59874	0.6
60.04521	0.6
61.02917	0.8
65.03922	0.7
67.05173	1.2
67.05503	14.8
68.12604	0.6
68.99765	0.7
69.03426	3.9
69.07059	6.0
69.68252	1.5
69.68661	3.4
70.06573	2.9
71.04993	4.6
72.08149	1.3
73.06535	0.7
79.05491	11.7
80.05814	0.7
81.03415	4.8
81.07053	17.1
83.04984	3.7
83.08615	2.8
85.02909	5.3
85.06558	1.4
86.09724	1.1
87.00809	1.0
90.89964	0.6
91.05473	8.0
93.07037	11.0
94.07384	0.6
95.04972	6.4
95.08041	0.8
95.08601	9.7
97.02868	2.4
97.06522	4.5
97.10155	2.9
98.20807	0.9
99.04443	1.5
99.08089	1.2
103.05436	0.7
105.07027	5.8
107.04948	8.9
107.08601	7.1
109.02869	2.1
109.06516	14.6
109.10159	10.1
111.04441	1.7
111.08097	1.5
113.09620	0.7
117.07002	2.5
119.04938	0.8
119.08570	6.8
120.08106	1.5
121.06502	6.7
121.10140	6.3
123.08067	2.9
123.11714	2.1
125.05994	0.9
125.09611	2.7
127.03873	3.3
127.11198	9.9
129.07005	1.3
129.10191	0.8
131.08571	5.5
133.06479	0.7
133.10110	2.5
135.08044	5.3
135.11693	1.8
136.07573	1.8
137.05962	1.7
137.09608	11.7
137.13229	1.1
139.11153	3.5
141.09116	1.1
143.08557	0.9
145.06461	1.6
145.08781	0.7
145.10088	2.9
147.08031	2.1
147.11670	2.4
149.09612	2.6
149.13277	1.6
151.07579	1.0
151.11249	1.1
153.01813	6.0
153.05371	0.6
153.09152	0.8
153.12646	0.9
155.08546	0.8
157.06360	0.7
157.10095	1.3
159.08035	1.1
159.11699	1.7
161.09607	1.5
161.13228	1.2
163.11142	2.6
165.01866	0.8
165.09106	100.0
166.09489	1.4
169.10068	0.8
173.13219	1.9
175.11192	1.0
177.09140	1.7
179.10664	1.0
180.08736	0.6
183.11768	0.8
185.11687	0.9
187.11049	0.8
189.11234	1.2
189.12801	0.8
191.14316	4.4
193.12230	1.2
197.13184	0.7
201.12764	1.4
205.12215	3.3
211.20580	2.1
215.14351	0.8
215.18045	0.8
219.13795	10.2
223.13396	0.9
225.05434	0.7
231.15854	0.8
233.15147	0.7
233.18947	1.1
247.13303	0.8
251.20006	1.6
257.09186	0.9
259.09604	0.9
259.15366	7.2
275.16321	1.0
293.17477	4.3
311.05331	1.4
313.03247	0.8
318.16910	0.8
319.06250	0.9
337.07050	0.8
339.04959	3.4
340.30432	0.6
353.06677	1.0
367.22504	2.3
385.23532	3.0
403.24487	2.0
433.12897	1.0
436.02112	0.8
441.26157	0.8
441.33154	0.9
451.13574	0.7
454.02875	0.8
459.14139	0.9
459.27213	1.5
472.04141	2.9
477.15451	11.4
477.28384	5.2
478.15607	1.6
495.16562	4.8
495.29291	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	495.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
55.01860	9.6
55.05512	22.4
56.42721	2.8
57.03437	29.7
57.07076	4.3
61.02924	86.9
65.03941	5.2
66.47372	2.5
67.05500	99.2
69.03429	43.6
69.07073	21.3
69.38346	12.0
69.38768	14.7
71.01345	6.8
71.04980	9.9
72.11100	2.9
73.02914	42.7
74.55904	3.1
75.33147	2.5
79.05058	4.6
79.05492	76.1
80.85860	3.2
81.03400	24.1
81.06577	4.5
81.07050	68.6
83.04954	9.3
83.08611	9.1
85.02898	79.9
85.06520	7.8
86.09702	10.4
91.03952	59.2
91.05476	100.0
93.07034	73.0
95.04945	15.5
95.08595	56.5
97.02885	65.8
97.06538	7.4
97.10164	4.5
99.04447	15.6
99.08055	6.0
101.02346	12.6
103.03926	14.3
105.04533	2.7
105.07018	69.6
105.07677	5.8
107.04924	3.8
107.08585	37.5
109.02862	10.4
109.06537	6.9
109.10150	19.2
111.04425	5.1
111.08072	4.6
112.98827	2.4
115.03923	5.5
116.06203	3.1
117.06997	22.5
119.08591	53.9
121.10128	33.9
123.08090	5.5
123.11697	6.2
124.99997	9.0
127.03918	29.8
128.06247	4.0
129.05530	6.1
129.06981	18.9
131.08549	29.8
133.10132	39.2
135.08099	3.6
135.11665	17.9
143.08578	9.0
145.04948	9.0
145.10112	19.9
147.11662	18.1
149.09627	5.6
149.13249	12.5
155.08574	3.4
157.10109	9.9
159.06548	4.3
159.11664	24.0
161.13266	30.4
163.11153	3.1
163.14830	4.4
169.10069	4.2
171.11655	14.0
173.13251	9.7
175.14824	13.4
177.12656	5.6
183.11761	5.6
184.07352	34.6
185.07716	10.2
185.13252	13.5
189.12778	4.0
191.14323	3.0
199.14793	4.6
203.14343	3.4
213.16417	3.1
239.17857	4.4
241.19513	12.8
259.20541	9.3
333.24164	48.6
371.86212	2.9
471.18613	3.4
477.28354	3.9
495.16656	4.1
495.29150	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	2.0
53.03934	7.8
55.01857	6.6
55.05509	27.9
56.73563	1.6
56.96554	8.2
57.03434	21.4
59.04994	2.6
61.02919	11.4
63.02362	2.2
65.03925	5.6
67.05502	59.0
69.03416	10.5
69.07062	17.2
69.92908	4.3
69.93317	7.4
70.06577	1.9
71.04987	11.0
72.61457	1.6
73.02906	5.8
79.05488	56.6
81.03413	98.7
81.06570	3.5
81.07049	65.8
83.04971	24.1
83.08617	38.7
84.96016	1.8
85.02900	58.0
85.06532	4.1
89.35093	1.7
91.03937	6.7
91.05476	72.2
93.07035	40.6
95.04961	45.4
95.08597	22.6
97.02885	12.9
97.06530	13.5
97.10168	12.0
98.20822	2.9
99.04430	3.1
99.08080	3.6
105.07023	55.6
107.04953	13.1
107.08595	21.5
109.02882	3.8
109.06530	11.6
109.10149	10.1
111.04411	7.2
111.08077	17.8
113.06007	6.2
115.05473	4.5
116.06271	2.1
117.07005	7.6
119.08577	34.2
121.06483	4.7
121.10123	22.5
123.08025	6.5
123.11668	6.2
125.09620	4.7
125.92109	2.2
127.03893	4.0
128.06207	3.7
129.06995	21.0
131.08566	22.7
133.06448	4.9
133.10114	21.0
135.08084	3.7
135.11682	4.5
137.09613	5.1
139.11113	2.0
141.06998	4.0
142.07750	3.2
143.08531	3.6
145.10117	8.7
147.08038	9.0
147.11688	27.7
149.09613	11.9
153.01765	9.2
153.09079	2.5
155.08464	2.4
157.10124	23.5
159.07970	2.8
159.11639	5.3
161.09572	2.9
161.13263	3.3
163.11136	3.4
165.09068	2.4
165.12733	6.3
169.10153	3.4
171.11691	1.8
173.09480	2.2
173.13255	3.3
175.11176	22.5
183.11673	3.2
189.11223	2.5
193.12234	91.7
194.12547	1.9
203.14342	2.0
209.11691	2.1
211.13277	100.0
212.13577	2.6
227.12683	3.1
229.07437	3.2
247.08601	3.2
267.15854	8.0
285.10123	5.2
285.16876	4.3
299.05472	2.2
302.04099	1.9
316.11752	2.2
339.23123	2.3
346.58191	2.1
349.17044	2.5
367.22583	4.5
369.13220	1.9
385.23413	4.7
441.26212	5.1
459.27188	8.4
477.15390	3.7
477.28439	7.8
495.15924	6.8
495.29999	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2437
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
53.03940	2.1
53.69058	1.6
55.05504	3.1
56.05029	4.5
57.03412	1.9
66.26724	1.7
67.05492	7.3
69.03442	8.3
69.07056	5.0
69.41943	9.5
69.42371	5.5
70.06591	15.9
71.04967	4.1
72.08157	5.4
74.06074	5.8
79.05477	7.9
81.03410	10.4
81.07056	15.3
83.04971	6.9
83.08612	2.9
84.04498	7.1
84.08144	9.7
85.02895	7.2
85.06520	2.1
86.06053	4.2
86.09701	100.0
87.05578	2.9
88.03977	7.1
91.05467	9.0
93.07030	12.9
95.04969	6.2
95.08596	14.2
97.02883	5.6
97.06519	7.6
99.04474	8.7
100.07611	2.8
105.07027	12.0
107.04954	2.4
107.08588	10.3
109.02874	10.9
109.06515	9.6
109.10156	3.3
110.07123	4.0
111.08072	8.5
112.03936	2.2
113.06010	2.3
119.08595	10.4
120.08101	14.4
121.02897	1.8
121.06502	22.8
121.10159	3.3
123.04386	1.8
123.08100	2.2
123.11691	4.2
125.05973	5.3
126.05499	6.9
127.03934	10.3
127.07572	2.8
129.07007	2.1
129.10263	5.2
131.08562	3.0
132.10167	1.7
133.10126	4.3
135.08072	3.0
135.11673	1.9
136.07582	7.7
137.05942	2.1
137.09593	3.3
139.07536	8.2
141.13843	1.9
143.06992	4.7
143.08569	2.3
144.06560	14.3
145.10109	2.4
147.08023	1.8
147.11684	14.2
148.07535	1.6
149.13292	1.7
151.11163	2.4
157.08638	3.3
157.10106	7.2
159.06474	2.7
161.09572	2.2
161.13235	5.3
165.09105	3.8
165.12776	5.0
166.08672	4.5
169.12248	5.7
171.11694	2.7
173.13167	1.8
175.11183	10.0
187.05995	3.1
187.14478	2.0
189.08768	5.6
189.12805	8.6
193.12228	10.9
199.07159	10.6
199.11195	7.0
201.08998	2.1
207.13791	4.1
211.13246	11.1
215.10690	1.7
217.08214	7.9
217.12227	21.5
223.10840	3.6
229.14354	5.2
235.13286	29.5
247.13344	2.1
253.14339	35.6
271.04056	1.9
271.15363	3.4
279.16995	10.7
284.16028	4.9
287.05530	3.5
312.15491	14.6
325.14429	1.8
379.17328	3.4
397.18661	7.6
409.18192	1.9
415.19052	1.7
451.19376	8.1
495.18274	32.5
496.18594	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	495.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
64.23853	0.5
69.03411	1.8
69.70325	3.5
71.04978	0.7
73.02918	0.6
81.03391	1.4
81.18797	0.6
85.02894	1.5
86.09700	1.4
87.04457	0.6
91.03876	0.5
99.04434	1.7
100.04785	0.9
107.01071	0.6
119.08574	0.8
120.08066	0.7
134.37862	0.8
146.07912	0.6
147.09152	1.6
148.09560	0.7
159.09206	1.4
191.08188	4.8
192.08459	5.2
203.10489	1.1
208.40941	0.7
215.10066	0.6
216.07782	1.1
217.08057	0.9
229.12158	0.8
247.13043	8.2
254.50310	0.7
264.14279	0.8
275.12460	8.1
287.05594	2.7
288.05899	2.7
289.06021	7.5
290.06308	3.1
291.06573	4.3
307.12576	0.8
308.13165	2.0
351.13968	0.9
390.17188	1.2
391.17264	3.9
404.14661	0.7
409.18301	17.3
424.75565	0.8
433.17673	1.0
434.16357	0.9
451.19351	53.5
452.17715	1.8
495.18301	100.0
496.18384	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	495.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.05495	1.4
56.05031	0.6
57.03410	0.5
58.30955	0.4
65.66473	0.5
67.05485	1.0
69.03408	1.3
69.07056	1.2
70.06587	2.6
71.05983	0.8
71.06342	0.9
72.08133	2.0
80.57786	0.4
81.03405	1.9
81.07037	1.2
84.08133	1.7
85.02884	1.9
86.09711	3.2
91.05472	1.2
93.07055	0.9
95.04982	0.8
95.08652	0.6
97.02887	0.7
105.07029	1.1
106.02859	0.8
107.01074	2.4
107.08585	0.7
109.02832	0.7
109.06475	0.9
109.10194	0.7
110.07169	0.7
113.05897	0.6
119.08529	0.6
120.08074	3.6
121.06553	0.7
123.04436	1.0
123.11691	0.7
124.03883	1.3
125.04295	0.6
127.03983	0.5
129.10201	0.7
133.65538	0.6
137.06027	0.8
137.09613	0.6
165.09126	2.2
173.12910	1.0
177.09164	0.5
201.12347	0.5
203.05367	0.8
215.10487	0.6
229.11923	0.6
245.06314	1.9
247.13052	5.0
248.12921	0.7
250.82013	0.5
269.08475	0.6
275.12579	1.9
287.05496	1.0
289.05289	1.9
294.23022	0.5
295.12631	0.7
295.49371	0.6
307.13925	0.6
384.51822	0.5
391.17456	1.2
409.18286	22.8
451.19360	39.2
452.19751	1.0
495.18323	100.0
496.18307	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	495.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.05508	2.0
56.96556	1.9
57.03431	1.4
65.03954	0.8
67.05492	3.2
69.03431	1.6
69.07062	2.1
69.23040	0.5
70.06588	5.5
70.75743	1.6
71.04980	1.2
72.08154	1.8
79.05482	3.4
81.03417	2.9
81.07051	4.4
83.04967	1.5
83.08614	1.5
84.08134	2.1
85.02899	2.8
86.09712	2.2
87.04456	0.6
91.05460	3.0
93.07063	4.2
95.04967	3.1
95.08597	3.1
97.02886	2.0
97.06521	1.6
97.07626	0.5
97.10129	1.1
98.97585	2.2
99.55781	0.5
105.07039	3.1
107.04945	1.8
107.08595	2.4
109.02891	1.4
109.06512	4.2
109.10106	1.1
110.07172	1.2
111.08109	0.8
116.98618	1.9
117.07014	1.3
119.04944	0.5
119.08581	1.9
120.08111	1.6
121.02855	0.9
121.06521	2.3
121.10132	1.9
123.08063	3.3
123.11716	0.9
125.09627	1.2
127.03917	2.0
128.98608	0.8
129.10226	0.9
131.08585	2.1
133.06482	0.6
133.10129	1.3
134.99651	1.3
135.08049	1.4
135.11693	1.0
136.07542	0.6
137.05994	1.3
137.09648	1.1
139.07506	0.7
143.08626	0.9
145.04951	0.6
145.10152	1.5
146.99646	0.9
147.08081	0.8
147.11670	0.8
149.09599	1.2
151.02803	0.5
151.03842	2.6
152.04308	0.7
152.07033	0.5
153.01797	1.2
155.08493	0.5
157.10260	0.7
159.11612	0.9
161.13293	0.6
165.09090	0.9
169.04909	0.5
171.11673	0.6
173.09531	0.8
173.13208	0.8
174.90565	0.5
175.11203	0.6
189.00821	0.6
191.14316	1.0
193.12245	0.7
219.13823	2.4
229.12076	0.6
237.02837	1.5
245.11517	0.8
247.13026	4.7
247.16991	1.2
259.15448	2.0
265.05521	0.6
273.04333	0.7
275.12494	2.1
293.17514	1.8
307.12103	1.0
325.13156	0.6
339.05081	0.6
349.13159	0.7
391.17477	1.6
399.15161	0.5
403.24564	0.6
409.14621	2.2
409.18304	7.6
427.17123	0.9
433.18539	0.6
451.19446	29.6
452.19461	1.0
477.16098	0.7
477.28409	0.8
495.18369	100.0
496.18463	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	494.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	1.4
55.01809	1.8
55.05437	5.2
56.04959	4.5
56.96510	1.4
57.03360	3.4
57.07016	0.7
58.06542	0.8
60.04449	70.9
60.04950	2.4
61.02850	2.9
61.03145	1.2
67.05423	12.3
68.04947	1.0
69.03346	8.7
69.06988	5.0
70.06508	4.4
71.04919	2.0
71.59834	0.8
72.04427	3.2
73.02841	1.6
74.05991	3.4
79.05406	8.3
80.04955	1.8
81.03329	6.0
81.06966	13.0
82.06508	1.6
83.04902	2.5
83.08529	2.8
84.04449	1.6
84.08045	3.1
85.02900	23.0
85.03357	1.6
85.06478	0.8
86.05965	2.6
86.09699	3.8
87.00798	0.7
87.04394	1.8
88.03923	0.9
90.05450	1.4
91.03867	0.8
91.05465	6.8
93.07040	9.9
94.06496	1.5
95.04963	3.7
95.08604	11.1
96.08057	1.1
97.02890	7.0
97.06532	5.7
97.10091	1.5
98.05972	1.1
98.97520	0.7
99.04354	2.2
99.04940	0.7
102.05431	2.2
103.05396	1.1
104.07019	1.3
105.07022	4.9
106.07277	0.7
107.04833	2.0
107.08585	6.4
108.08063	0.9
109.02766	3.2
109.06415	2.7
109.10126	5.7
110.09616	0.8
111.04353	1.1
111.08025	0.8
112.07522	0.9
116.07016	1.0
116.98534	0.9
117.06929	2.0
119.08566	4.5
120.08088	3.3
120.08791	1.0
121.06396	2.8
121.10128	5.3
122.09562	0.7
123.07957	0.8
123.11648	1.5
125.09521	1.4
127.03913	6.5
129.10197	1.1
131.08484	3.0
133.10027	2.8
135.07956	1.3
135.11575	2.8
136.07533	1.4
137.05908	1.8
137.09517	2.4
139.11079	0.7
145.04872	2.5
145.10095	1.6
147.04306	0.9
147.11656	1.3
149.09523	1.1
149.13242	1.1
151.07405	0.8
153.01741	2.2
154.72842	0.7
155.08411	0.7
157.10031	0.7
159.11638	1.1
160.04984	0.9
161.09544	1.1
163.03883	1.2
164.15222	0.7
165.09032	2.4
173.02243	1.0
175.14726	1.8
177.05299	0.9
183.14735	0.8
188.09126	1.2
191.10626	0.9
193.15825	1.4
206.10194	1.9
207.79855	0.7
211.16814	2.8
215.06912	1.9
219.13628	0.9
223.13072	1.0
224.11203	2.7
227.12776	1.0
248.23685	1.0
259.09592	1.4
260.23615	1.6
266.24826	0.9
278.24789	7.0
296.25827	9.9
297.16885	1.4
302.13852	1.3
314.26852	17.8
332.27921	100.0
333.28189	1.2
356.28043	1.0
374.28906	2.8
440.29999	1.2
458.31329	1.2
471.03488	1.0
476.26385	1.4
476.32864	4.1
477.14883	1.0
494.27563	2.5
494.33325	46.5
495.18073	4.4
495.33817	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	494.3237
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05507	2.5
56.05014	1.4
57.03408	0.5
57.07052	0.8
58.06592	1.8
60.08158	15.9
64.48139	0.4
66.38860	0.4
67.05492	2.5
69.07068	2.7
70.06593	0.5
70.83997	0.8
71.04978	0.5
71.07368	6.1
79.05480	1.4
81.03399	0.9
81.07040	3.1
83.08598	1.6
86.09696	50.6
91.05479	0.9
93.07038	1.9
95.04984	0.5
95.08625	2.1
97.02946	0.4
97.06541	0.5
97.10167	0.9
98.98451	4.0
104.10732	96.8
105.07036	0.7
105.11076	0.5
107.08599	0.9
109.10168	0.6
119.08554	0.9
121.10141	1.2
124.99992	26.8
128.02625	0.4
135.11664	0.7
149.02342	0.6
153.12743	0.5
184.07323	100.0
185.07748	0.7
193.05017	1.2
237.07622	0.8
258.11008	1.1
284.29401	0.8
311.25778	1.8
337.84271	0.4
476.31433	8.9
494.32501	26.2
495.16153	0.5
495.32938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.324
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05502	4.9
56.05021	1.5
57.07067	1.5
60.08159	16.4
67.05498	2.5
69.07066	3.8
70.63679	1.1
71.07363	6.3
71.61355	1.1
73.14693	0.9
79.05478	1.9
80.74818	1.0
81.07026	2.1
83.08613	2.0
86.09702	48.7
93.07022	1.5
95.08570	1.3
97.10145	1.6
98.98483	3.2
104.10737	100.0
107.08595	1.6
109.10130	1.5
124.73672	1.1
125.00000	29.0
153.01852	1.6
184.07333	94.7
292.96677	1.1
311.25781	4.7
373.00821	1.1
386.04730	1.1
476.31387	10.7
494.32520	27.3
495.16623	1.6
500.51840	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	494.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.05029	0.6
57.03428	0.2
58.06326	0.2
58.06625	0.6
60.08156	6.7
61.02926	0.2
67.05489	0.6
69.03426	0.1
69.07059	0.6
70.14223	0.6
71.07019	0.3
71.07370	2.8
79.05476	0.4
81.07053	0.6
83.08610	0.4
85.02881	0.2
86.09697	31.6
91.05478	0.3
93.07019	0.5
95.04921	0.1
95.08576	0.5
97.10180	0.2
98.98454	3.0
104.10736	2.7
107.08576	0.2
119.08533	0.2
124.99993	22.8
143.01013	0.3
149.02371	0.2
166.02829	0.1
174.93727	0.2
179.39046	0.2
184.07321	100.0
185.07690	0.4
193.05008	0.1
258.11148	0.2
311.25827	0.4
476.31403	0.9
494.32578	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	494.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
53.90179	0.7
55.01854	2.2
55.05302	0.7
55.05509	10.1
56.05027	1.3
57.03423	2.9
57.05810	1.6
58.06574	1.0
60.04506	2.7
61.02921	6.9
67.05504	7.7
68.05024	1.1
69.03406	3.6
69.07049	2.9
70.06189	1.5
70.06582	29.8
71.04980	2.1
71.12777	1.7
72.08141	2.4
73.02901	1.9
74.06075	1.4
76.02193	0.8
79.05476	8.6
80.05001	0.9
81.03413	1.9
81.05775	1.7
81.07050	5.9
82.06560	3.1
83.04985	1.4
83.08617	5.3
83.91087	0.8
84.04510	4.1
84.08131	6.0
85.02893	6.4
85.06525	0.9
86.06065	2.0
86.09701	4.6
87.04441	1.0
91.03941	2.3
91.05483	6.4
93.07043	4.7
94.06559	20.3
95.04951	1.6
95.07357	1.5
95.08591	3.1
96.08098	3.2
97.02865	3.7
97.06503	1.1
97.10177	7.8
98.06008	1.2
103.05477	1.7
105.07012	8.9
107.05022	1.1
107.07327	1.9
107.08602	3.9
108.08116	5.7
109.05264	1.8
109.06487	0.9
109.10130	2.3
110.06023	2.9
110.07148	1.7
110.09654	1.1
111.08056	1.4
112.07574	1.5
115.05489	0.9
117.07034	1.2
119.08572	2.7
120.08080	4.8
121.06493	0.8
121.10097	2.1
122.09669	6.3
123.08012	1.4
125.09612	5.2
126.05479	1.5
127.03894	1.7
129.10228	2.9
131.08574	2.2
133.06483	5.9
134.84331	0.8
135.11719	1.2
136.07544	1.9
145.04968	1.0
145.10092	1.6
147.08102	0.8
147.11688	0.9
148.07533	2.0
149.08345	6.9
149.09526	1.8
161.05968	9.9
162.09187	1.6
162.86473	0.8
163.11185	1.5
176.10646	1.1
176.14310	1.9
177.15086	2.0
189.11201	2.0
193.08578	10.7
193.12146	1.4
194.15277	1.2
197.11729	1.7
204.13849	2.7
205.14581	4.8
206.15324	1.0
222.14897	13.1
227.12718	1.2
240.15875	3.8
296.18539	19.7
297.19391	3.5
314.19571	100.0
315.19775	1.0
328.44547	0.8
332.20642	6.2
341.28131	0.8
362.18350	1.6
410.03998	0.8
421.21484	0.9
451.19437	1.4
458.24216	0.9
476.18542	1.1
476.24918	13.6
494.19705	1.0
495.18903	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	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
53.58715	0.7
55.01863	3.1
55.05508	15.4
56.05032	2.0
56.96551	1.2
57.03430	2.7
57.05814	1.3
58.06614	0.7
60.04520	3.6
61.02926	6.4
65.03951	1.3
67.04212	0.7
67.05501	10.4
68.05013	2.2
69.03436	4.6
69.07065	4.2
69.43110	7.5
70.06590	35.7
71.04991	2.7
72.08149	4.0
73.02913	3.1
78.48884	0.7
79.05489	11.5
80.05018	1.4
80.75784	0.7
81.03402	3.6
81.05783	2.2
81.07059	10.6
82.06574	5.3
82.41886	0.7
83.04978	3.1
83.08620	7.5
84.04491	4.6
84.08140	6.5
85.02905	7.0
85.06537	0.9
86.06063	9.2
86.09711	3.9
91.03953	3.5
91.05470	8.9
93.07047	7.3
94.06560	33.3
95.04977	1.5
95.07355	2.7
95.08595	4.2
96.04455	1.0
96.08129	4.1
97.02880	4.2
97.03909	1.0
97.06528	0.9
97.10170	10.6
98.06045	2.4
101.06037	1.5
105.07031	4.2
107.04948	2.1
107.07344	2.1
107.08591	6.6
108.08121	7.0
109.02863	1.3
109.05255	2.9
109.08930	1.0
109.10150	1.6
110.06049	5.0
110.07150	1.9
110.09692	1.2
111.08059	1.4
112.03925	0.9
112.07631	2.3
117.06998	1.7
119.04927	5.0
119.08582	3.2
120.08083	7.6
121.06550	1.2
121.08921	1.2
121.10152	2.4
122.06055	1.5
122.09672	8.3
123.08068	1.3
124.07628	2.0
125.09626	8.8
126.05489	1.3
127.03919	2.2
129.05457	0.9
129.07007	1.5
129.10246	2.7
131.08568	2.5
133.10167	0.9
134.06018	1.3
134.09671	1.9
135.08037	1.4
136.07587	3.2
137.05957	1.3
145.10210	1.5
147.04402	11.8
147.11752	1.4
148.04794	1.1
148.07561	2.5
149.08379	10.5
149.09622	2.1
159.11694	0.8
162.09177	3.1
162.12842	1.0
163.09906	1.6
163.11165	1.6
164.07034	0.8
165.09103	1.7
175.11229	1.2
176.10724	1.3
176.14349	2.6
177.15144	2.1
178.15887	1.1
189.11169	3.9
190.38528	0.9
194.15454	1.4
197.11664	7.2
204.13832	4.7
205.14632	8.0
206.15422	1.3
212.09149	1.3
222.14876	17.0
223.15559	1.4
224.16475	2.0
227.12810	1.4
240.15971	11.4
245.14009	1.4
276.05933	1.3
284.18723	1.1
296.18539	68.6
297.19180	2.8
303.04962	0.9
314.19592	100.0
315.19806	1.8
332.20618	5.0
361.04236	1.4
458.23819	2.7
476.24936	12.4
494.17834	1.4
495.15134	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	493.2802
Annotation	Mucronine B
Peak:m/z	Relative Intensity
55.03686	0.3
55.05505	3.8
57.05813	0.5
60.03768	0.2
67.05513	0.6
69.07056	0.4
71.05639	0.7
72.08149	44.4
77.89039	0.2
79.05490	0.8
81.03422	0.6
81.07059	0.8
83.08617	0.3
85.87040	0.3
91.05022	0.3
91.05447	1.3
93.07043	1.5
95.04966	0.9
95.08569	0.5
103.05475	2.2
105.07034	0.8
107.08610	0.3
117.07012	0.6
120.08095	100.0
121.08436	0.9
129.07030	0.3
130.06572	0.4
130.34962	0.3
131.08536	0.3
133.10176	0.4
134.02888	0.3
135.38078	0.2
141.10896	0.3
149.09566	0.2
163.11176	0.3
166.29709	0.3
171.14905	7.5
174.12733	2.7
191.10577	0.3
193.12274	0.4
199.14401	6.7
203.97945	0.3
219.14914	17.0
220.15388	0.3
222.12714	0.9
247.14407	18.8
262.80972	0.3
267.14890	8.5
273.19455	1.4
294.10822	0.3
295.14386	12.0
301.19156	3.3
321.19611	1.1
328.20316	0.3
346.21213	5.1
349.19135	2.0
365.20956	0.3
385.92361	0.3
394.21234	4.1
422.20801	0.3
448.25717	0.5
465.28470	0.6
493.27994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.05504	20.9
57.03427	8.0
57.07071	47.5
60.88344	2.3
65.03924	2.3
67.05499	58.2
69.07069	24.2
71.01350	4.1
71.05003	3.1
71.08627	32.8
71.34721	5.0
73.02911	3.2
79.05485	39.2
81.03426	18.0
81.07054	44.7
83.04971	8.0
83.08624	21.6
85.06505	2.2
85.10173	13.8
90.15664	2.6
90.71932	2.3
91.05471	25.0
93.07031	42.0
95.04962	10.4
95.08601	37.0
97.02912	2.7
97.06546	11.2
97.10157	17.3
100.95752	2.1
105.07029	7.5
107.04945	3.1
107.08575	27.9
109.02859	3.1
109.10148	19.3
111.04408	3.8
117.07052	4.9
119.08566	4.0
121.10129	7.1
123.11700	5.3
126.57481	2.5
130.07793	2.6
133.10144	2.5
135.11679	53.9
137.13266	3.9
145.10138	7.8
163.11174	8.0
175.11166	2.6
181.12215	9.0
190.99997	2.9
193.12263	8.7
239.23770	13.1
249.14879	3.6
267.15814	4.0
268.73306	2.3
493.28693	4.5
493.38843	100.0
494.39624	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	493.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05495	0.8
56.05034	15.8
56.96560	0.6
58.06600	1.3
60.04504	1.6
61.01149	14.8
68.05036	0.9
69.03417	1.5
69.07068	7.0
70.06239	1.0
70.06594	11.1
70.84254	0.6
70.89021	1.6
71.06913	0.6
72.08148	5.2
74.06079	4.4
75.87003	0.5
81.03412	0.9
82.06597	0.7
83.06124	0.6
84.04502	6.2
84.08142	5.3
85.02893	1.6
86.06067	3.5
86.09703	100.0
87.10033	0.9
88.03981	0.7
91.05492	1.4
93.04520	0.7
94.18562	0.6
95.04943	1.1
98.97574	0.7
101.07142	4.9
102.05521	2.8
104.05324	20.4
104.83931	0.6
105.07038	0.7
109.02895	0.7
110.07150	2.6
111.09187	0.6
112.03999	1.6
112.07600	19.5
117.25704	0.6
119.04928	1.2
120.08109	1.6
124.11263	0.7
127.03907	0.8
129.06563	0.9
129.10252	2.6
130.05000	3.1
136.07596	1.5
139.08643	0.7
141.13814	0.7
142.12299	1.9
143.11803	1.5
146.06206	0.6
147.04370	4.7
148.04863	1.5
148.06029	10.8
152.10677	0.7
157.09717	1.7
159.09549	0.8
160.07915	27.3
160.99290	0.6
167.08192	1.0
169.13354	2.0
174.99287	0.6
185.09282	0.8
187.09009	1.2
187.14413	13.6
197.12857	2.7
198.05858	1.0
198.11134	0.8
205.10030	9.1
215.08493	18.3
215.10555	1.0
215.13911	4.9
219.01808	0.9
228.02971	0.6
233.09526	13.1
261.14453	36.9
286.36801	0.6
300.17447	1.1
302.40961	0.5
328.16904	14.7
346.17953	2.4
362.19360	2.3
391.73871	0.6
475.22223	1.7
493.17307	0.7
493.23401	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	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01851	2.5
55.05498	4.6
57.03423	2.0
57.07046	1.7
59.04985	2.1
60.04512	3.5
61.02920	1.9
61.65819	1.3
67.05495	6.5
68.99814	1.5
69.03425	9.1
69.07067	9.5
70.06586	6.6
71.04976	2.9
71.11729	1.7
71.12070	2.2
71.36952	1.2
72.08155	3.6
73.02902	2.2
78.01298	1.2
79.05490	22.2
81.03412	10.0
81.07056	28.7
83.04974	10.5
83.08600	2.2
84.08137	1.4
85.02900	12.7
85.06554	2.8
85.07635	1.6
86.09697	4.8
87.00809	4.3
91.03954	1.7
91.05475	11.0
93.07045	17.4
95.04955	5.0
95.08591	12.8
97.02882	11.3
97.06522	12.9
98.03185	1.5
99.04443	6.2
102.71916	1.0
103.05458	1.6
105.01840	3.9
105.07034	14.7
105.53796	1.1
106.02918	3.6
107.04958	2.7
107.08590	61.5
109.02847	4.2
109.06487	8.1
109.10148	4.8
111.08060	1.3
114.86672	1.1
115.03848	1.0
115.05387	1.4
115.07554	1.1
117.06995	3.0
118.87626	1.4
119.04971	1.7
119.08588	10.6
120.08093	3.5
121.02834	1.4
121.06511	7.7
121.10127	20.9
123.04445	1.3
123.08053	10.9
123.11691	1.6
124.03954	19.0
124.08414	2.0
125.05980	7.2
125.09610	4.5
127.03900	7.7
128.06082	1.4
129.06929	1.6
131.08549	3.7
133.06485	1.3
133.10123	8.3
135.04335	1.7
135.08054	2.0
135.11664	5.7
136.07567	2.2
137.05969	6.9
137.09608	3.3
138.10017	1.4
143.06981	4.8
143.08539	1.9
145.04961	2.2
145.06458	2.1
145.10092	9.0
147.11685	4.6
149.09589	4.7
149.13235	3.0
151.07516	2.8
151.11142	1.9
153.01761	2.4
154.08765	1.4
158.07225	1.6
159.11658	3.3
161.05936	1.5
161.09610	1.6
161.13268	17.1
163.11247	6.0
163.14833	7.9
165.06895	1.9
165.09096	3.5
170.71422	1.1
173.09633	6.5
173.13274	4.9
175.07462	1.4
177.00671	1.3
177.12804	1.8
179.14305	100.0
180.14714	1.7
187.11133	7.0
189.12769	3.2
191.10657	2.9
191.14297	17.5
198.29292	1.3
201.05421	1.9
205.12239	4.6
207.13765	4.6
209.15367	15.0
215.10681	5.2
227.16373	10.9
231.04906	1.2
233.11618	7.9
250.06844	1.2
251.12753	3.4
259.09613	1.9
268.08252	6.5
286.09167	6.6
287.05405	13.5
288.05838	29.2
289.06097	1.7
311.09079	5.4
330.26373	3.9
478.79330	1.3
492.15259	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	492.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.2
53.03939	3.5
55.01868	3.3
55.05508	5.2
56.05865	1.4
57.03431	1.4
65.03944	2.1
65.73354	1.1
67.05507	4.9
68.05847	2.0
69.03442	1.6
69.07066	2.0
69.27574	10.6
70.06609	1.3
71.04996	1.5
72.08119	0.9
77.51787	1.1
79.05489	8.1
80.05820	0.9
81.03429	3.5
81.07048	6.2
82.07359	0.8
83.04984	1.6
83.08621	3.1
85.02912	1.6
91.05480	21.7
93.03374	0.9
93.07040	24.8
94.04211	2.1
95.04961	12.9
95.05546	1.0
95.08626	3.6
97.02900	1.0
97.06561	1.6
97.10184	4.2
98.10529	1.4
98.86330	1.0
103.05459	16.5
105.04501	1.4
105.07040	6.0
107.04920	4.5
107.08605	4.3
108.05384	1.4
109.02872	1.0
109.06555	4.1
109.10159	2.6
115.05489	3.2
117.07018	2.3
118.05534	0.9
119.04922	4.7
119.08571	1.6
120.05771	2.2
121.02904	1.6
121.06499	81.8
121.10190	1.0
122.03661	5.8
122.06824	1.9
125.09663	3.1
126.10036	1.3
130.04181	1.7
131.04977	2.8
131.08589	1.6
133.06520	2.4
133.10112	1.1
135.04399	1.1
135.08080	1.7
135.11673	0.9
137.05971	71.0
138.09143	1.3
141.43504	0.9
143.04932	5.0
145.06516	3.4
145.10181	1.6
146.03537	1.3
147.04448	3.5
149.06018	2.3
151.03966	3.3
151.07646	1.8
158.03627	2.3
161.05983	8.1
161.09644	1.2
162.06734	4.7
163.11136	1.5
164.07097	1.2
165.09161	2.2
173.05992	6.3
175.03989	3.7
175.07640	3.3
177.05501	2.9
177.07043	2.5
178.07855	2.8
179.08604	1.4
186.03122	5.0
187.07603	1.2
189.05478	1.8
189.07074	3.5
189.11281	3.1
190.07774	1.3
191.08598	1.6
193.12292	2.1
194.07362	1.8
194.12616	1.2
201.05458	47.5
203.07031	2.0
203.10861	1.2
205.06496	8.7
206.07278	6.3
207.08127	2.2
213.05428	5.0
217.06425	4.4
218.07318	2.9
219.04572	1.0
219.08145	4.1
219.13753	1.7
220.05127	1.2
220.14221	2.0
221.06097	2.0
221.09691	1.3
222.06818	3.6
223.07680	1.6
227.12875	1.3
228.13138	1.8
231.06491	4.6
233.05936	9.5
234.06749	19.2
234.08853	1.4
235.07642	3.4
236.08382	1.6
237.09105	5.4
239.07069	1.2
245.05994	3.4
245.08128	5.4
246.06764	1.7
247.07433	5.3
247.13297	1.0
248.08469	2.5
248.13669	1.6
248.98079	1.0
249.05469	1.3
249.09109	9.7
250.06168	8.0
251.07056	6.4
259.07614	1.3
261.05569	3.5
262.06210	16.4
263.06964	4.7
264.07944	3.2
265.08572	17.8
266.09479	3.5
267.06473	1.6
271.04214	1.6
273.05423	7.0
274.06320	2.1
275.07013	1.7
276.07745	1.7
277.05496	1.9
277.08569	22.8
278.05875	6.0
278.08963	1.9
279.06696	4.5
279.10211	2.9
280.07407	1.7
282.09012	2.0
287.07208	2.7
289.04977	1.3
290.05673	20.3
291.06635	1.4
291.10333	1.0
292.07260	10.9
293.08072	19.1
294.08893	4.3
295.06006	1.8
295.09695	3.2
297.11334	3.2
299.12885	1.2
305.08060	39.1
307.06177	3.1
307.09570	27.1
309.11243	4.3
310.08359	2.3
319.09903	3.7
322.08328	5.0
325.10690	100.0
326.11151	2.4
337.10675	68.1
338.11017	1.8
355.11713	4.9
367.22717	1.0
368.23019	1.3
386.24213	1.8
441.08411	1.2
460.28018	3.3
462.19098	54.5
463.19684	2.0
474.26059	1.2
492.20297	30.1
492.27081	6.9
493.13446	2.6
493.20413	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	492.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48983	0.3
53.03947	1.0
55.01863	0.5
55.05528	0.5
56.05028	0.4
57.03432	0.5
58.06588	0.7
65.03936	3.2
69.03423	2.6
69.07070	0.5
70.06591	3.6
71.01371	0.4
71.04985	0.6
71.11590	0.6
72.08158	1.1
73.02944	0.3
74.06063	0.3
79.05486	0.3
81.03413	7.6
81.07077	0.5
84.04507	0.6
84.08139	1.8
85.02904	3.3
86.06055	0.4
86.09697	2.5
91.05476	1.5
93.07043	0.6
95.04953	6.0
97.02869	3.0
99.04447	0.8
101.84605	0.3
102.05560	0.7
103.05464	0.5
107.04982	0.3
109.02873	3.2
109.06516	0.4
110.07191	0.6
111.04439	2.7
119.04941	6.4
120.08092	1.0
121.02858	100.0
121.06490	1.0
122.03209	1.3
123.04424	12.5
127.03912	1.8
129.07004	0.3
129.10217	0.8
131.08551	0.3
136.07550	0.3
136.36331	0.3
137.02347	4.8
137.05974	0.6
139.03894	7.7
145.04926	0.8
147.03185	0.6
147.04385	7.7
147.05507	0.5
147.98253	0.3
149.08389	0.8
164.07179	0.3
164.10703	12.0
165.05453	12.1
172.04132	0.3
176.03410	1.1
198.11244	1.1
210.11234	50.3
211.11592	0.8
211.27791	0.3
216.12292	1.0
265.07031	7.6
283.08075	3.0
316.12509	0.4
324.11389	0.3
360.16415	0.3
372.16751	1.3
378.17844	0.4
406.11719	0.3
446.18094	1.6
489.38416	0.4
492.18613	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	491.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.05500	19.4
57.03438	3.9
57.07076	13.9
59.12109	2.9
61.51656	2.3
63.43198	2.5
65.03930	2.9
67.05499	87.4
69.07064	11.7
69.26784	4.9
69.27184	26.4
71.04993	3.2
71.08615	9.8
79.05487	24.4
81.07052	61.7
83.08592	13.8
83.63313	2.7
85.10181	3.9
89.05959	3.0
89.31908	2.8
91.05473	45.9
93.07036	26.1
95.04986	5.1
95.08598	48.6
97.06546	4.6
97.10184	5.9
99.08079	3.0
105.07023	23.9
107.08593	13.3
109.10145	46.8
111.08102	3.6
117.07013	4.7
119.08547	14.0
121.10149	11.9
123.11701	6.0
131.08556	8.3
133.10118	44.0
135.11636	9.0
137.13216	3.1
143.08542	3.1
145.10103	7.1
147.11705	3.9
149.13278	5.1
151.11217	3.1
154.26329	2.7
157.10080	3.6
159.11685	2.9
161.09622	8.8
163.11145	5.0
173.11729	9.5
173.13148	3.5
175.14789	5.0
227.12787	5.1
399.32550	7.1
417.33646	4.9
473.35800	13.2
491.29840	72.9
491.37250	100.0
492.30499	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	491.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07947	2.2
53.03932	7.6
55.01864	20.0
55.05511	42.3
56.59473	1.8
57.03436	10.1
57.07061	3.6
59.04985	2.3
61.02913	4.1
61.89297	1.9
64.65630	2.0
65.03923	4.5
65.93736	1.8
67.05165	3.8
67.05499	59.5
69.03422	10.8
69.07070	21.5
70.06585	2.8
71.04977	21.5
71.61093	3.0
72.08134	3.1
75.75191	2.6
76.03625	2.1
79.05489	73.9
81.03415	22.9
81.06573	3.6
81.07052	70.4
83.04980	17.8
83.08611	18.2
84.08122	2.2
85.02894	10.7
85.06527	8.4
86.09683	2.8
87.04468	3.1
91.05478	51.2
93.06463	4.5
93.07040	71.8
94.97731	2.1
95.04964	44.0
95.08602	37.6
97.02871	7.5
97.06524	12.2
97.10169	25.1
99.04457	2.7
99.08075	3.1
103.05458	3.5
105.07028	37.1
107.04949	70.8
107.08592	38.7
109.02855	6.3
109.06524	35.7
109.10154	27.8
111.04459	3.5
111.08057	9.2
115.05410	5.1
117.07008	24.4
119.04894	3.0
119.08570	26.0
121.02865	11.3
121.06499	51.9
121.10138	38.9
123.04408	5.1
123.08084	9.8
123.11723	8.8
125.05968	3.2
125.09618	26.2
127.03972	4.6
128.06229	5.6
129.07024	16.0
131.04932	7.9
131.08569	38.6
133.06485	10.8
133.10120	16.9
135.04410	6.5
135.08054	17.0
135.11684	8.4
136.07553	2.8
137.05974	9.7
137.09634	7.3
139.07527	2.3
139.11172	6.1
141.06960	5.4
143.08569	10.1
143.10651	2.4
145.06470	16.5
145.10115	17.0
147.04398	4.1
147.08047	14.5
147.11679	11.7
149.09625	12.0
149.13278	3.0
151.07549	5.5
151.11186	2.9
153.01782	2.5
153.09079	5.1
155.08504	8.4
157.06444	5.0
157.10126	7.0
159.08112	11.3
159.09206	2.1
159.11676	9.3
161.06003	4.8
161.09654	12.3
161.13303	3.6
163.07530	4.8
163.11186	17.4
165.09108	16.0
167.08528	3.1
167.10725	11.7
169.10110	5.1
171.08022	3.2
171.10240	2.6
171.11627	7.5
173.06035	2.7
173.09555	5.0
173.13281	12.4
175.07625	4.1
175.11191	6.3
175.14815	2.4
177.09036	2.7
177.12683	4.6
181.10133	3.5
183.11658	4.1
185.09619	6.3
185.13234	4.1
187.07521	2.2
187.11150	4.8
187.14864	2.6
189.09102	3.2
189.11221	11.8
189.12755	3.9
191.10649	3.0
191.14293	10.7
193.12207	6.4
195.11749	4.2
197.09543	3.1
197.13359	3.1
199.11226	3.4
199.13275	8.7
201.05460	3.7
201.12665	6.2
203.10652	4.9
203.23000	2.2
205.12283	4.9
209.11670	2.8
211.11206	5.1
213.12695	3.7
215.14313	4.8
217.12238	2.9
219.13741	19.7
223.13329	5.3
227.12669	11.4
227.14684	2.7
229.15903	3.2
231.13828	3.2
233.15337	6.6
237.12708	4.0
237.14861	2.5
243.13913	3.9
247.13246	11.1
247.16936	6.6
249.14856	6.9
255.13809	6.3
257.15369	3.6
259.13239	3.2
263.16370	3.8
265.14459	2.1
271.16870	4.0
273.14816	11.4
275.16422	8.4
286.20932	2.4
287.05487	52.6
287.16473	2.4
288.05859	3.4
325.10538	4.8
325.18314	2.3
331.20502	3.1
339.23135	6.9
349.21573	14.5
353.20877	3.0
353.52850	2.4
357.24310	4.4
367.22714	40.8
381.20377	3.5
385.23749	52.2
403.24786	7.6
441.26459	10.2
459.27393	82.8
473.28705	7.6
491.30334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01867	9.9
55.05508	45.1
56.96565	1.8
57.03426	6.7
57.07063	2.2
65.03933	6.5
67.05502	50.5
69.03425	12.8
69.07060	14.9
69.60368	3.4
69.60787	8.5
70.06580	6.7
71.01360	2.8
71.04967	4.5
72.08141	3.5
79.05056	3.2
79.05489	45.4
79.08504	1.6
80.25843	1.4
81.03410	20.5
81.07054	42.3
83.04966	9.6
83.08614	27.8
83.20746	1.7
84.04491	2.0
85.02902	8.7
85.06548	5.0
86.09704	2.0
91.05475	27.5
93.03410	3.5
93.07051	30.1
95.04968	23.6
95.08597	22.3
95.74171	1.7
97.02896	4.6
97.06530	7.5
97.10160	42.4
99.04376	2.2
103.05458	2.9
105.07028	21.9
107.04951	34.1
107.08588	30.6
109.02885	8.8
109.06506	14.0
109.10147	25.3
111.04415	3.9
111.08060	6.9
115.05453	2.0
117.07004	12.2
119.04910	2.1
119.08573	16.1
120.08108	3.0
121.02876	18.5
121.06498	22.8
121.10115	13.9
123.04420	8.6
123.08058	6.7
123.11705	5.9
125.09629	41.9
127.03896	5.1
128.06226	2.3
129.06984	10.5
131.04898	3.0
131.08545	16.4
133.06474	6.4
133.10147	10.9
135.04405	4.8
135.08046	11.3
135.11673	5.6
137.05943	6.8
137.09593	4.7
139.11206	2.3
141.06989	4.8
142.07809	1.7
143.08531	6.8
143.10573	1.8
145.06442	7.4
145.10127	10.7
147.04448	4.1
147.08078	7.4
147.09204	1.8
147.11653	4.6
149.02357	2.0
149.05980	2.9
149.09589	8.0
149.13257	2.3
150.02705	2.0
151.07532	3.7
151.11180	3.5
153.07098	2.3
153.09048	7.6
155.08504	2.7
157.06538	2.4
157.10124	5.1
159.08028	6.0
159.11690	5.3
161.06001	4.3
161.09627	9.6
163.11162	11.1
165.09145	16.4
167.08527	2.2
167.10715	2.9
171.08018	2.4
171.10272	2.2
171.11713	2.5
173.09630	3.7
173.11775	4.0
173.13281	6.9
175.07541	2.5
175.11162	7.2
177.05470	2.2
177.09148	3.0
177.12680	2.9
181.10089	2.4
183.08040	2.3
183.11653	4.3
185.09613	3.2
185.13243	2.4
187.11223	2.1
187.14656	2.2
189.09177	4.6
189.11185	29.9
189.12682	2.6
191.10631	3.8
191.14304	5.3
193.10327	2.0
193.12224	26.0
195.10153	1.8
195.11720	2.0
197.09467	2.0
199.11169	2.5
199.13185	2.6
201.12773	6.3
203.10652	6.0
205.12318	3.3
209.11676	3.6
211.11256	2.7
213.12709	1.9
217.12169	3.5
219.13783	37.8
221.11633	2.2
227.10567	2.2
227.12724	29.1
229.12195	3.4
231.13742	1.9
233.15306	2.2
235.13196	4.2
237.12485	1.5
247.13228	20.6
263.12784	6.3
265.14261	3.6
275.16467	4.5
287.02539	2.9
287.05484	31.5
288.05991	2.5
319.15347	4.8
353.21057	4.9
367.22559	3.3
371.22043	5.0
381.20432	5.0
385.23727	5.2
389.23041	2.9
399.21603	10.4
417.22400	3.2
443.47549	1.6
445.25998	7.8
459.27383	14.8
463.26688	8.4
473.24707	8.4
488.75864	1.8
491.29608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.9
55.01860	15.6
55.05506	100.0
57.03430	10.8
57.07043	3.6
58.26704	2.1
59.04990	3.5
65.03901	2.5
67.05501	66.6
69.03434	12.2
69.07060	23.3
71.04981	15.1
71.10557	6.0
72.99409	2.3
75.18678	2.2
79.05486	73.1
81.03412	25.5
81.06573	3.5
81.07047	62.7
83.04973	13.4
83.08610	50.0
85.02898	2.5
85.06518	4.4
91.05469	44.3
93.07033	53.0
95.04967	35.0
95.08600	27.0
97.02869	2.2
97.06509	7.2
97.10157	99.7
99.00804	2.2
105.07025	29.0
107.04945	58.0
107.08584	47.7
109.02854	7.5
109.06515	28.1
109.10131	15.3
111.04391	3.4
111.08076	11.5
115.05406	2.7
117.06998	20.6
119.04948	3.6
119.08570	18.7
121.02862	5.7
121.06491	44.4
121.10132	24.8
123.04396	4.6
123.08031	7.2
125.09618	86.6
128.06190	2.7
129.07014	9.9
131.04900	5.9
131.08565	29.8
133.06436	6.3
133.10109	14.9
135.04420	3.9
135.08044	19.5
135.11659	6.1
137.05956	4.0
137.09581	4.8
141.06973	6.1
143.08545	7.8
143.10649	3.9
145.06447	9.7
145.10092	15.8
147.04416	2.7
147.08023	9.8
147.11658	7.2
149.02310	3.1
149.09578	7.0
153.09081	7.6
155.08517	5.6
157.06445	4.3
157.10081	6.7
159.08011	6.9
159.11644	2.5
161.05911	4.3
161.09584	7.4
163.11154	13.6
165.09085	3.4
167.10635	3.8
169.10077	4.9
171.08009	6.0
171.10207	4.8
171.11613	4.6
173.09605	4.3
173.13199	11.3
175.07521	3.0
175.11148	9.1
179.07019	2.2
181.10071	2.8
181.12238	2.5
185.09555	2.4
185.13301	3.5
187.11121	2.3
189.09294	5.7
189.11198	60.0
189.12906	4.2
191.14311	17.7
193.12248	10.6
194.33049	2.0
195.11575	3.9
197.13168	3.6
199.11162	3.2
199.13232	6.4
201.12636	5.2
205.12259	2.6
209.11583	4.4
209.13350	2.5
215.14349	2.9
217.11957	2.9
219.13765	90.7
223.13193	2.8
225.11176	6.1
227.12711	28.7
227.14603	3.5
229.12268	2.9
234.84129	2.1
239.14122	2.5
245.11574	3.7
246.05298	2.4
247.13382	2.9
247.16818	2.7
249.14923	3.5
257.15350	3.6
259.13187	2.5
263.12781	11.5
273.14764	5.2
275.16412	9.5
281.13718	4.5
287.05469	9.4
290.89636	2.3
298.60611	3.0
305.42416	2.3
339.23215	4.8
349.21628	7.0
353.21216	6.0
357.23950	2.6
367.22699	16.3
371.22150	8.2
373.23431	2.9
381.20419	7.6
385.23691	19.5
389.23260	11.6
399.21411	10.6
403.24356	3.4
407.24210	4.2
417.22275	4.9
441.26212	4.0
445.25815	23.0
447.27225	4.7
459.27405	50.8
463.26984	19.2
473.24570	18.1
491.26428	90.9
514.44495	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	491.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01869	5.3
55.05512	3.2
56.96553	1.0
57.03433	6.8
58.53345	0.9
59.04988	1.2
60.04516	0.9
60.09411	1.1
61.02916	9.9
65.03941	1.0
67.05494	4.8
69.03424	31.8
69.07053	1.9
69.62579	7.7
70.06589	9.3
71.04977	6.3
72.08142	8.6
73.02906	4.4
79.05487	2.9
81.03413	18.1
81.07056	6.3
83.01324	1.3
83.04985	3.0
84.04498	3.1
84.08136	5.3
85.02895	75.1
85.06538	5.4
86.09689	6.9
87.04471	5.8
89.07165	1.5
91.03947	3.6
91.05459	5.6
93.07027	7.6
95.04955	3.4
95.08592	7.2
97.02885	26.3
97.03504	1.9
97.06523	3.4
98.97585	1.8
99.04429	8.7
102.05517	1.9
105.07025	8.7
106.51945	1.0
107.04913	1.9
107.08578	10.3
109.02880	11.1
109.06500	4.2
109.10169	4.3
110.07158	1.8
111.04436	1.8
111.08088	1.8
113.09643	3.6
115.03960	1.4
116.07155	1.1
116.98659	1.4
117.06982	2.6
119.08576	12.2
120.08088	2.5
121.06498	5.8
121.10136	6.6
122.07229	1.5
123.08065	6.7
125.06081	1.3
125.09626	1.9
127.03896	14.1
128.52322	1.0
129.05472	1.8
129.06989	1.7
129.10191	1.4
131.08556	4.6
133.10109	9.0
135.08047	7.8
135.11694	4.0
136.07535	1.2
137.05984	1.7
137.09642	6.2
137.13274	2.1
139.07533	1.2
141.05238	1.5
143.08559	4.6
145.04935	15.2
145.10101	8.5
147.07994	5.3
147.09084	1.0
147.11679	4.7
148.08800	1.7
148.99403	1.1
149.09644	5.7
149.13264	1.7
157.08647	1.5
157.10132	5.8
159.08093	1.2
159.11665	6.3
161.09583	8.9
161.13219	7.9
163.11197	3.8
165.09076	6.3
165.89682	1.0
169.08565	2.5
171.11726	5.4
173.07085	2.0
173.09508	1.3
173.13257	2.4
175.11197	3.3
175.14810	3.1
177.12733	19.5
179.10640	1.9
185.13254	4.2
189.09145	5.1
189.12814	1.8
191.08138	14.3
195.13864	3.8
197.13318	1.4
199.14813	3.7
203.14357	4.5
205.12289	2.6
207.10165	9.4
207.13820	4.8
213.06174	1.8
217.12224	2.3
217.15852	3.9
221.15366	4.8
223.16930	3.0
225.11113	8.9
227.14215	1.7
229.15797	1.3
233.15331	1.5
235.13199	2.3
245.15262	7.7
251.16417	1.7
257.15311	1.9
263.16425	27.0
275.16534	5.3
281.17447	100.0
282.17944	2.5
287.05496	1.6
287.86990	1.3
293.17429	17.8
299.18506	46.4
307.12985	1.3
311.10132	2.0
311.18542	12.5
316.14175	1.8
316.98587	1.2
329.11081	7.7
329.19513	5.0
334.20102	1.2
334.99554	2.4
345.14594	1.6
347.12122	1.6
406.07492	1.2
429.16238	3.7
431.14621	1.3
473.14874	1.7
491.16287	30.3
491.24036	2.4
492.16803	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	491.1178
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.03933	0.5
55.01865	0.5
57.03432	0.7
61.02910	1.4
68.99802	0.5
69.03078	0.5
69.03423	4.4
70.75644	0.6
70.75983	0.9
73.02905	1.9
81.03416	3.0
85.02905	6.3
92.82751	0.4
97.02867	2.9
99.04433	1.2
103.03922	0.5
109.02897	2.7
111.00796	0.7
121.02854	3.1
127.03928	6.5
127.91110	0.4
133.02843	0.9
133.04938	0.7
137.02313	1.1
145.04948	2.5
145.06474	0.5
147.04411	0.9
153.01822	4.3
165.01840	1.6
171.04480	0.5
177.51146	0.4
183.02919	0.6
185.05884	0.6
187.06000	3.9
205.07121	0.6
208.60172	0.4
213.05479	1.8
231.06509	0.9
234.30292	0.4
241.05003	1.3
258.05273	1.6
269.04343	0.4
287.05484	100.0
288.05722	2.2
377.94620	0.4
395.07501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72350	0.3
55.01856	0.7
55.05483	0.6
56.96511	0.3
61.02916	0.3
65.03917	0.6
65.31477	0.3
67.05490	0.6
67.75209	0.3
69.03399	0.7
69.07024	1.0
69.65324	1.8
69.65747	0.6
70.06587	3.5
71.04955	0.3
72.08166	1.8
79.05459	0.5
81.03389	0.6
81.07013	1.0
83.70886	0.3
84.04501	0.5
84.08103	1.5
85.02908	2.2
86.09658	1.4
91.05478	4.6
91.06018	0.6
93.07004	0.6
94.04102	0.3
94.06541	0.7
95.04919	0.5
95.08585	0.6
97.02862	1.0
97.06535	0.3
98.20808	0.4
99.04465	0.8
102.05524	0.4
103.05432	0.3
105.03345	0.5
105.07005	0.7
107.04944	0.8
107.07272	0.6
107.08545	0.6
109.02840	0.5
109.06503	0.8
109.10146	0.5
115.08662	0.3
117.07006	0.5
119.04926	6.5
119.07281	0.3
119.08572	0.4
120.08060	1.4
121.06498	0.3
121.08829	0.6
121.10129	0.6
122.06036	0.4
123.08033	0.6
127.03873	0.9
131.04875	0.8
132.08118	2.1
133.06163	0.6
134.06018	0.7
135.07936	0.3
136.07567	0.6
137.05165	0.3
137.05984	3.7
137.09547	0.4
140.07045	1.1
144.08025	0.4
145.04932	0.6
146.05978	0.7
147.04410	6.9
147.06757	0.5
147.48808	0.4
148.04749	0.7
148.07526	1.8
149.05954	0.7
151.07541	2.1
161.05927	1.5
165.09102	0.4
165.25206	0.3
168.06551	1.3
170.09595	0.5
172.36159	0.3
173.10680	0.5
174.07912	3.3
175.07368	0.6
175.08638	1.3
176.07068	0.6
179.07065	2.2
184.11203	0.5
188.09373	0.5
193.08632	0.3
197.10745	0.7
198.09122	1.1
199.08607	2.5
199.12177	0.5
200.09384	1.1
200.10950	0.4
201.06586	0.5
201.10217	4.5
202.11040	0.4
205.08574	0.9
207.13785	0.3
209.10683	0.5
211.08675	1.0
213.10223	2.0
214.10966	1.3
215.11778	5.5
215.13638	0.6
216.12494	0.9
225.10155	1.7
225.14842	0.4
226.08797	0.5
226.10933	1.3
227.08202	1.8
227.11765	4.9
228.12509	0.8
229.09790	4.2
229.13344	3.0
238.12280	0.5
239.11819	4.1
240.10152	0.4
241.09811	2.0
241.13341	0.5
242.10440	2.2
243.11232	2.8
244.11969	1.5
253.13306	2.2
255.11258	3.9
256.11865	0.7
257.12833	3.0
269.12866	3.3
270.13535	0.8
271.14432	0.9
272.12906	0.4
273.06219	0.4
273.12317	1.8
279.10159	0.4
281.12845	3.2
283.10831	0.7
287.05362	0.4
287.13879	5.9
288.14597	0.9
297.12247	3.0
298.13037	2.7
299.13876	29.9
300.14017	0.6
301.11819	0.6
309.11252	0.9
315.13370	18.7
316.14133	67.3
317.14392	1.8
322.09137	0.6
341.13766	0.4
369.14386	0.4
385.13721	0.5
431.14453	2.2
463.17236	0.7
468.70944	0.4
473.15091	1.1
477.16647	0.4
491.16550	100.0
492.16843	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	491.1179
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.03926	1.0
60.73303	0.4
61.02911	0.9
68.99774	0.9
69.03424	2.5
69.70266	2.3
69.70678	0.8
69.75477	0.4
73.02909	1.0
81.03017	0.5
81.03415	4.3
85.02887	2.8
97.02883	18.4
99.04422	0.8
105.03376	0.6
105.40455	0.4
106.33713	0.4
107.04925	0.5
109.02872	1.9
111.00800	1.0
121.02855	3.4
127.03901	3.4
133.02814	0.5
137.02313	0.8
145.06409	0.5
147.04361	0.6
153.01811	5.0
165.01837	2.1
183.02892	1.1
187.06012	1.8
213.05458	1.4
231.06459	1.0
241.04880	1.2
245.53075	0.4
258.05185	1.4
259.05890	0.8
270.08014	0.4
276.41510	0.4
287.05469	100.0
288.05771	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	491.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58484	0.2
53.03935	0.9
55.01867	0.2
55.05497	0.3
56.05023	0.3
57.03426	0.6
61.01144	0.2
61.02913	0.9
67.05489	0.5
68.99775	0.8
69.03429	3.2
69.07063	0.3
69.48232	1.7
70.06593	3.5
71.04972	0.7
71.06910	0.3
72.08131	1.0
73.02913	1.2
73.63503	0.2
74.06073	0.3
78.68805	0.2
79.05487	0.5
81.03411	3.7
81.07047	0.7
82.67508	0.2
83.04977	0.3
84.04491	0.9
84.08150	1.1
85.02903	3.8
85.06522	0.2
86.09707	1.8
91.05469	0.8
93.07047	0.6
95.04942	0.6
95.08582	0.7
97.02885	16.9
97.06522	0.6
98.03256	0.2
98.21517	0.3
99.04437	0.8
103.05471	0.5
103.48322	0.2
105.03378	0.3
105.07020	0.6
107.04942	0.6
107.08593	0.5
109.02880	2.1
109.10126	0.6
111.00797	0.7
111.04409	0.4
115.03867	0.4
116.07082	0.3
117.07018	0.4
119.04886	0.2
119.08562	0.6
120.08083	1.5
121.02859	3.2
121.06522	0.2
121.10085	0.4
123.04446	0.2
127.03912	4.1
129.06964	0.2
129.10211	0.5
131.08551	0.3
133.02837	0.5
133.04918	0.3
133.10156	0.6
133.19249	0.2
135.04407	0.4
136.07573	0.6
137.02336	0.8
137.05981	0.3
145.04935	0.3
145.06467	0.3
145.10046	0.4
146.06036	0.5
147.04419	0.9
147.11700	0.4
149.09566	0.2
151.03885	0.7
153.01817	4.4
157.06497	0.5
159.11662	0.2
161.05904	0.2
163.03838	0.3
165.01848	1.6
165.09093	0.5
171.04359	0.3
179.03310	0.4
183.02884	1.1
185.05972	0.5
187.06021	2.4
189.12701	0.3
197.05977	0.4
213.05472	1.7
217.13504	0.2
219.13565	0.2
231.06499	0.7
241.04919	0.9
243.06596	0.3
245.12975	0.4
246.13411	0.2
258.05228	1.7
259.05988	0.6
269.04340	0.3
273.12259	0.7
286.04486	0.3
287.05478	100.0
288.05814	2.6
288.14636	1.0
299.05270	0.3
311.18320	0.3
315.13290	0.5
316.14233	0.4
329.19592	0.9
463.17068	1.2
491.15900	1.4
491.29803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11929	0.2
53.03941	0.8
57.03434	1.0
57.50017	0.2
61.02927	1.7
68.99781	0.5
69.03423	4.6
70.06559	0.2
70.59743	0.2
71.04973	0.7
73.02907	2.3
79.05459	0.2
80.46146	0.2
81.02979	0.2
81.03411	3.3
83.01369	0.2
85.02898	6.5
95.04971	0.2
97.02869	2.1
98.92599	0.2
99.04446	1.5
103.03922	0.4
105.03361	0.3
107.04935	0.3
109.02869	2.4
111.00773	0.6
111.04367	0.2
115.03929	0.7
121.02860	2.7
127.03905	5.4
133.02809	0.4
133.04930	0.8
137.02287	0.8
145.04956	2.1
145.06073	0.3
147.04381	0.6
153.01817	4.0
157.06422	0.4
161.06068	0.2
165.01796	1.7
169.83435	0.2
171.02983	0.2
171.04393	0.4
183.02924	0.9
185.05927	0.5
187.06010	3.0
205.07069	0.7
213.05414	1.4
231.06459	0.7
240.05777	0.2
241.04790	0.8
256.55771	0.2
258.05194	1.2
259.05902	0.3
286.04807	0.2
287.05463	100.0
288.05792	2.9
299.05478	0.8
311.05508	0.4
325.06912	0.4
329.06384	0.9
353.06464	0.7
377.06671	0.3
395.07562	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	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01863	7.4
55.05502	8.3
56.05024	4.4
56.12102	2.9
56.96557	2.8
57.03432	4.2
61.02915	5.2
67.05492	7.8
69.03429	17.6
69.07046	3.6
70.06248	3.0
70.06595	42.2
71.05001	3.8
72.08163	13.4
73.02901	4.6
79.05486	7.3
81.03412	17.9
81.07036	6.8
83.04964	7.2
84.04501	6.8
84.08138	7.8
85.02902	49.4
85.06499	3.2
86.09688	7.2
87.00828	12.7
91.05459	12.1
93.07034	10.2
95.04973	7.8
95.08618	7.9
95.78030	2.8
97.02869	24.9
97.06512	10.2
99.04454	5.2
104.05315	7.5
105.01881	20.4
105.07028	8.5
107.04991	3.7
107.08572	12.9
108.19100	2.7
109.02840	14.6
109.06522	24.6
109.10140	6.7
111.08089	12.0
112.33850	2.5
117.01825	3.5
118.06544	3.6
119.08559	9.7
120.08105	23.9
121.08411	4.0
121.10175	14.7
123.04466	3.3
123.08085	10.8
123.11700	22.7
125.05884	3.4
127.03906	26.5
129.10197	5.5
131.08569	4.5
133.10088	5.1
136.07562	12.4
137.05998	3.2
137.09605	32.2
137.13174	2.8
138.09032	3.4
145.04948	11.1
145.10170	3.6
146.06001	4.7
147.08037	3.3
147.11688	16.5
149.09615	7.2
151.07532	3.6
159.02827	5.8
161.13234	6.0
162.05518	6.5
165.05487	3.0
165.09103	6.6
165.12743	97.9
171.11633	4.5
179.14301	8.1
182.08241	3.4
189.12767	29.8
207.13786	100.0
217.13411	3.6
231.04970	3.1
245.13014	3.5
254.11433	3.6
255.11783	4.4
287.05530	13.4
408.94022	3.2
472.28922	6.1
490.16772	21.4
490.30310	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	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01860	2.1
55.05489	1.0
57.03432	2.7
61.02921	2.4
67.05505	2.3
69.03432	12.3
69.07069	1.0
70.00421	3.1
70.00833	1.4
70.06580	3.7
71.04984	1.9
72.08147	1.0
73.02906	2.7
79.05479	1.1
81.03416	10.7
81.07047	2.0
83.04977	4.3
84.04494	1.3
85.02901	30.3
86.09663	1.5
87.00823	11.4
91.03919	1.4
91.05444	1.3
91.42396	0.8
93.07059	2.7
95.04966	2.2
95.08607	2.9
97.02884	11.9
97.06521	1.8
98.20766	0.8
99.04456	5.8
99.08078	1.2
100.86433	0.9
105.01872	11.7
105.07021	2.6
107.08585	2.6
109.02876	10.4
109.06509	4.9
109.10163	1.2
109.19415	0.9
110.59342	0.7
111.04457	1.9
111.57211	0.7
113.50703	0.7
117.01839	1.7
119.08602	3.3
120.08125	1.4
121.02846	1.9
121.06497	2.0
121.10121	6.2
121.79694	0.8
123.08060	100.0
125.06062	1.2
125.09581	1.3
127.03912	19.6
129.01845	1.3
133.10173	1.1
135.11662	1.6
137.06039	1.1
137.09622	1.8
145.04950	9.4
145.10081	1.0
147.02812	0.8
147.08037	0.8
147.11690	3.5
149.09601	6.5
151.11185	7.9
153.01776	1.2
159.02901	5.6
161.13277	1.6
163.11180	3.7
165.09160	1.7
165.12805	1.3
167.10646	4.1
181.12216	9.2
187.06042	1.6
189.12752	2.7
205.12155	1.4
207.13768	15.6
213.03882	1.1
225.14845	40.5
231.04890	4.9
287.05490	32.2
329.43890	0.9
382.12054	0.8
437.17993	1.2
452.72760	0.8
490.16904	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	489.3571
Annotation	salvin B
Peak:m/z	Relative Intensity
50.70743	3.8
53.03925	7.4
53.54883	3.6
54.63585	3.2
55.01858	5.5
55.05502	16.7
57.03447	4.1
57.07046	8.9
59.04997	3.2
67.05499	44.8
69.03430	5.3
69.07059	29.7
69.70614	3.2
72.08120	4.2
73.54315	3.5
79.05484	28.9
81.07050	54.4
81.12433	3.3
83.04949	3.8
83.08614	15.9
91.05473	28.0
93.07032	64.8
95.04981	4.2
95.07979	3.8
95.08595	67.3
95.16076	3.9
97.06521	6.0
97.10173	6.5
105.07037	41.8
107.08588	72.4
109.06538	6.9
109.10143	31.1
111.08066	9.7
111.11706	4.1
115.15337	3.5
117.06992	13.2
119.08567	46.5
121.10132	55.2
123.11701	16.3
125.09605	5.3
129.06990	5.9
131.08577	32.2
133.10101	24.0
135.11659	17.7
137.13246	8.7
141.06891	4.3
143.08557	12.2
145.10120	47.0
147.08098	4.2
147.11708	24.2
149.13239	100.0
155.08530	8.2
157.10068	19.8
159.11667	25.0
161.13251	10.4
163.11186	6.6
167.14201	3.4
169.10109	16.3
171.11658	19.6
173.13264	26.2
175.14844	8.8
177.16359	12.3
183.11665	13.2
185.13234	24.9
187.14796	34.9
189.16371	7.2
197.13264	14.2
199.14783	14.2
201.16313	4.3
205.15811	7.9
211.14717	16.8
213.16412	24.9
215.14285	11.2
215.17950	7.5
223.16901	12.7
229.15868	26.3
231.13699	4.9
233.18973	10.3
237.16364	4.7
239.17931	10.0
251.17805	4.5
251.20071	14.1
253.19461	7.9
257.15390	7.4
267.21021	23.9
271.20352	3.8
275.16266	5.5
284.68289	3.7
285.22086	3.8
295.20541	6.3
313.21564	8.0
321.36407	3.8
379.29880	9.2
389.31924	4.1
391.33578	6.1
397.30862	15.5
407.33081	55.4
409.34531	14.0
417.31598	6.8
425.34030	30.8
435.32306	22.4
443.34970	6.9
453.33560	46.7
471.34546	14.3
489.30066	3.7
489.35962	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	489.3573
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.96962	1.0
53.03935	3.6
55.05508	21.5
57.03430	5.6
57.07072	2.2
59.04997	3.1
65.03936	3.9
67.05502	100.0
69.07062	18.2
70.74578	2.9
71.04990	4.1
79.05489	38.0
81.07052	47.3
83.04993	2.2
83.08620	10.5
85.06544	3.4
91.05474	32.7
93.07038	42.9
93.07619	2.2
95.04945	5.6
95.08603	29.9
97.06548	4.0
97.10174	5.6
99.08118	1.4
105.07026	25.8
107.08589	26.3
109.06554	1.9
109.10150	54.3
111.08095	3.7
117.07021	10.8
119.08580	31.9
121.10130	19.2
123.08105	2.3
123.11716	3.0
125.09637	2.1
128.06239	1.6
129.07013	5.2
131.08563	18.6
133.10123	17.9
133.11082	1.5
135.08086	1.1
135.11681	10.4
137.09631	2.8
139.11154	2.5
140.68341	1.1
141.06946	1.5
142.07834	1.1
143.08556	7.9
145.10110	17.2
147.08017	1.2
147.11682	13.4
149.13235	5.2
155.08563	3.0
155.10753	2.6
157.10155	4.8
159.11674	13.6
161.13258	8.2
163.14861	1.3
169.10144	3.7
171.11729	5.9
173.11765	15.2
173.13322	9.0
175.14804	1.2
177.16496	1.2
177.39102	1.1
183.11763	3.9
185.13242	5.7
187.14859	4.5
197.13280	2.3
199.14923	3.3
201.16490	1.3
211.14876	2.4
213.14752	2.5
213.16525	1.7
225.16400	1.4
241.19554	1.6
257.39417	1.3
259.20499	2.4
261.22153	3.2
271.20755	1.3
273.22153	2.3
275.20261	1.1
285.22162	3.8
297.22086	1.2
304.46170	1.3
317.25079	2.4
363.25238	1.6
377.26877	2.5
379.30020	8.7
387.24994	1.2
391.28412	1.6
397.31006	16.5
415.32224	4.2
433.33398	2.0
458.57690	1.2
471.34711	14.8
489.35861	99.6
490.36166	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	489.3574
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03942	3.9
55.01863	2.8
55.05507	26.4
57.03421	6.2
57.07055	2.9
65.03934	2.2
67.05164	4.0
67.05506	48.9
69.03406	2.2
69.07066	14.6
71.04997	3.8
71.33569	1.9
71.60840	4.5
75.26456	1.9
79.05487	26.9
81.07058	38.6
81.31772	2.1
83.08607	11.0
83.60721	1.8
85.06564	4.0
86.13506	1.9
91.05479	26.8
93.07040	32.7
95.04969	3.5
95.08597	22.6
97.10148	8.4
98.98463	3.5
103.05428	2.3
105.07030	41.5
107.08585	21.7
109.10155	18.9
115.05419	2.5
117.06989	11.6
119.08576	47.6
121.10163	14.2
123.08073	2.3
123.11709	2.1
125.09657	3.7
129.07011	8.5
131.08553	23.4
133.10132	19.5
135.11713	4.1
141.06989	4.2
143.08594	10.6
145.10107	22.4
147.11691	12.8
149.13264	3.3
155.08575	6.8
157.10126	9.4
159.11707	14.1
161.09589	2.6
161.13252	8.1
163.14879	2.5
169.10213	4.9
170.10815	2.4
171.11742	11.4
173.11859	2.2
173.13268	8.8
175.11288	2.6
175.14821	4.0
183.11705	6.8
185.13254	9.4
187.14867	6.0
189.16364	2.4
190.96208	3.4
197.13261	5.7
199.14856	7.1
201.16354	4.1
209.13297	2.6
211.14908	5.6
213.16425	3.2
248.76784	2.3
261.22162	4.2
271.20840	2.6
285.22195	2.4
297.22223	3.0
299.23663	3.1
363.25137	2.9
377.27231	5.9
379.30042	14.7
391.28561	3.7
397.31073	33.2
415.32162	5.6
433.33047	3.4
471.34576	19.0
489.35757	100.0
490.35614	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	489.357
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03944	6.2
55.05515	28.3
55.65551	4.4
57.03424	8.3
57.07045	7.3
67.05500	54.5
69.07064	32.4
71.04945	7.2
71.81347	5.8
79.05495	47.1
80.60791	4.6
81.07053	69.2
83.04960	6.0
83.08601	16.6
91.05473	37.8
93.07047	83.8
95.04928	9.5
95.08604	76.1
97.06522	11.9
97.10168	9.6
98.98483	29.7
105.07036	46.2
107.08593	83.5
109.10158	36.2
111.08044	10.3
117.07024	11.5
119.08556	49.2
121.10136	70.8
123.08067	7.7
123.11698	19.4
131.08534	23.4
133.10146	30.4
135.11674	22.7
137.09641	6.1
137.13232	15.4
139.11168	7.2
143.08527	12.5
145.10097	42.1
147.08031	6.8
147.11639	25.5
149.13261	100.0
155.01071	24.3
157.10095	17.5
159.11702	26.9
161.13254	13.6
163.11208	6.9
169.10098	8.3
170.91348	4.5
171.11649	15.0
173.13243	22.0
175.14825	13.0
177.16336	16.4
183.11739	6.7
185.13257	24.1
187.14830	42.4
188.23509	4.8
188.92482	35.1
189.12712	7.2
189.16364	11.4
197.13240	12.6
199.14886	12.7
201.16263	7.8
205.15738	6.8
207.13751	5.0
211.14780	15.5
213.16397	15.0
215.14366	7.1
215.18047	7.4
223.16934	18.0
226.94073	20.6
229.15880	20.4
233.19012	12.3
243.21085	7.5
251.20093	19.5
257.15271	10.0
261.22110	16.8
267.21048	13.9
333.14920	7.8
335.16763	15.4
335.25803	48.3
392.68387	4.7
407.33038	44.7
409.34619	14.9
415.13361	10.7
425.34186	50.0
435.32495	29.2
443.35220	25.2
453.33646	55.8
471.15906	69.1
471.25397	9.6
471.34470	18.0
472.16513	7.5
489.28717	10.9
489.35608	22.7
512.18524	7.9
512.86676	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	489.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29971	2.5
53.03929	3.1
55.05498	7.9
57.00998	3.0
61.02932	3.2
67.05495	6.9
69.03419	18.0
70.05907	2.8
70.06597	4.1
70.88938	6.9
71.04985	6.6
81.03410	6.9
81.07049	8.2
83.04978	3.4
84.08143	3.6
85.02901	9.5
86.09698	8.0
87.00796	2.9
89.76623	2.7
93.07042	11.5
95.04967	5.9
95.08602	18.7
97.02869	8.4
100.75202	2.7
105.03367	5.0
105.07018	6.1
107.08583	27.9
109.02863	7.8
109.06503	8.3
109.10159	10.0
110.70130	2.9
111.08077	6.6
119.08572	18.3
121.06471	8.7
121.10124	11.4
122.45616	2.7
123.08051	46.0
125.09584	4.1
127.03922	4.9
133.10126	10.7
135.08076	18.7
135.11697	24.7
137.09605	75.6
149.13260	21.7
159.11697	36.4
163.11197	3.8
177.12738	100.0
178.13106	3.0
195.13805	82.9
205.12236	21.1
206.99423	2.8
223.13264	46.0
225.07874	7.5
241.09174	4.1
241.14270	19.5
243.09090	4.4
369.11981	3.3
397.51163	4.1
489.18829	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75772	4.4
53.85166	4.7
54.51149	4.4
55.05508	12.1
60.65135	5.2
67.05484	7.8
69.03427	16.3
69.44380	17.7
69.44807	27.0
70.06596	11.1
71.04966	7.7
72.08118	6.7
81.03424	11.3
81.07054	9.2
83.05011	6.4
84.08125	7.9
85.02895	16.4
86.09703	21.4
87.32244	5.9
91.05472	10.3
93.07047	15.9
95.04966	5.4
95.08613	14.8
99.04462	5.5
105.07030	6.5
107.08576	30.1
109.02884	8.5
109.06518	9.9
109.10159	11.6
119.08578	18.3
120.08102	5.5
121.10136	10.0
123.04390	7.4
123.08058	43.3
125.09687	5.7
127.03914	8.8
129.10147	5.7
131.08559	7.5
133.10136	14.3
135.08046	18.9
135.11676	20.4
137.09602	82.9
149.13263	23.3
159.11673	26.2
163.11263	6.3
165.09116	6.6
177.12732	100.0
195.13802	93.4
195.15453	7.6
205.12251	21.6
217.05052	6.3
223.13245	53.4
241.14375	17.9
246.14798	10.8
294.28555	4.8
394.23828	5.4
398.65451	6.1
405.47540	5.4
431.68661	5.7
449.30594	5.5
489.23553	7.6
489.29898	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	488.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01845	0.5
57.03430	0.2
57.07084	1.5
58.66328	0.2
59.06757	0.2
61.02916	0.4
65.03944	0.9
67.05501	0.6
69.03426	1.2
69.07075	0.3
69.37403	1.8
70.06599	0.4
73.02911	0.2
79.05479	0.3
81.03426	1.5
81.07063	0.2
84.08141	0.3
85.02900	2.3
86.09733	0.2
87.00831	1.1
91.05471	0.3
93.03410	0.2
93.07013	0.5
95.04971	0.3
95.08601	0.4
97.02872	1.3
99.04448	0.6
105.01857	0.4
105.06989	0.3
107.08632	0.3
108.04469	0.3
109.02218	0.2
109.02837	1.3
109.10159	0.3
111.04404	0.2
113.66668	0.2
121.02865	2.2
121.06493	0.3
127.03899	1.4
129.01833	0.2
131.08572	0.2
145.04910	0.7
149.02335	100.0
150.02699	1.0
158.00977	0.2
159.02911	0.8
163.11116	0.3
165.09146	0.3
167.03389	2.5
190.04948	0.6
205.08589	4.1
205.12190	0.5
223.09644	14.0
231.05042	0.4
248.07663	0.3
282.61261	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	488.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76524	1.3
55.05500	3.2
55.93527	3.0
56.05016	2.8
56.94309	2.8
60.04517	1.8
64.96047	1.4
67.05482	1.8
69.03423	4.4
69.07060	2.8
70.02962	1.3
70.06594	23.1
70.38656	5.2
70.95866	2.1
71.05012	1.9
72.08155	11.9
72.93776	10.1
73.02931	1.7
74.06075	2.6
79.05511	1.8
81.03401	2.9
83.04952	1.5
83.06116	2.1
84.04497	9.6
84.08140	15.8
85.02908	4.7
86.09701	45.2
88.96912	2.0
90.94810	10.4
91.05468	3.5
93.07037	2.0
95.05011	2.2
97.02880	3.9
98.97582	1.9
102.05527	2.9
104.96377	2.0
107.08611	1.9
108.95866	4.1
109.02882	1.8
110.09656	1.4
111.06441	1.2
116.07092	3.7
116.98609	1.5
119.04926	4.2
122.06047	1.6
127.03907	2.0
128.96330	2.4
129.06598	2.3
129.10231	10.5
132.95808	16.9
133.06076	6.5
140.96326	3.0
144.95839	14.1
146.97421	3.5
147.04422	7.1
148.04736	1.7
150.96889	11.9
158.97397	20.6
161.01233	1.4
162.96881	15.2
168.95808	7.0
170.97424	4.8
174.96878	2.8
176.98448	17.4
186.96907	6.7
188.98372	2.3
195.10216	2.4
197.12851	2.3
198.96895	6.4
201.12297	2.0
204.98064	1.3
214.01637	6.1
215.13861	7.6
216.97908	12.8
222.14879	1.5
229.15456	1.8
230.01141	10.3
234.98996	36.2
236.55862	3.1
237.02855	2.0
239.99489	1.7
243.13466	6.2
246.14513	6.0
248.02158	13.3
253.00020	4.6
253.02654	1.3
254.01112	3.3
258.00620	4.4
266.01086	6.2
268.02521	1.5
272.02069	9.5
274.03793	2.0
284.02170	8.6
286.03888	2.7
296.02155	2.0
298.03720	2.6
308.02231	11.9
314.03021	3.0
356.04242	59.5
358.08347	2.1
373.04861	1.3
374.05304	100.0
375.05490	2.1
397.06912	8.9
409.89114	1.4
469.55276	1.4
472.11276	3.1
488.08600	12.4
488.20151	3.1
488.31586	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	487.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
53.44109	0.7
55.05508	2.2
56.96562	1.9
61.02923	1.4
67.05489	1.0
69.03420	4.9
69.07067	1.1
70.06585	13.5
71.05003	1.5
71.06908	1.0
72.08148	1.7
73.90406	0.8
74.10859	1.0
75.71894	0.9
79.05486	1.2
81.03413	2.6
81.07072	1.4
84.04507	1.1
84.08139	3.0
85.02898	6.0
86.09704	6.9
87.00829	4.3
91.05482	2.4
93.07032	1.7
95.05009	0.9
95.08595	2.5
97.02899	5.4
99.04449	1.0
100.77380	0.7
105.01859	5.4
105.07069	1.5
107.04939	1.0
107.08589	2.4
108.05741	2.9
109.02232	0.8
109.02877	5.3
110.07153	1.4
112.08750	1.3
113.02377	1.5
119.04974	0.9
119.08639	1.2
120.08123	2.0
121.02845	0.8
121.06548	1.3
123.08060	100.0
127.03926	8.3
127.04824	1.2
129.10291	1.3
136.07573	12.0
136.08540	1.1
145.04950	1.9
158.79877	0.8
159.11748	0.8
175.11249	0.8
179.18347	0.7
185.04201	10.2
221.11717	10.0
225.06601	1.9
229.63397	1.1
231.05179	1.3
241.66167	0.9
260.12823	1.6
271.07190	1.4
278.13971	3.0
303.04843	1.1
313.08218	0.9
324.02335	7.6
325.03207	7.9
333.08029	3.3
339.74185	0.9
343.01291	1.7
361.02252	16.4
379.03253	8.2
427.17194	2.2
487.08499	82.4
487.20349	12.2
488.08704	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	487.2149
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
51.45816	0.3
55.05495	0.4
69.07066	0.7
69.87327	1.7
70.06578	1.4
72.08134	0.6
79.05486	0.5
81.07030	0.8
83.05022	0.3
84.08145	0.3
85.02869	0.5
86.09688	2.3
86.77324	0.3
91.05451	0.5
95.04935	0.5
95.08597	0.4
97.02869	0.4
105.06998	0.4
109.10168	0.4
119.08611	0.4
121.06519	0.3
121.10115	0.4
130.23947	0.3
133.03549	0.5
134.11235	0.3
158.90018	0.3
186.08029	0.5
221.15506	0.3
251.11246	0.6
269.12335	2.8
325.16245	2.1
487.21475	100.0
488.21832	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	487.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
59.46516	0.9
61.38185	1.1
69.03415	3.4
70.05527	5.4
70.06579	3.6
79.05471	3.6
81.03404	2.8
81.07056	2.8
84.08153	2.4
85.02880	3.1
86.09689	4.4
87.00800	2.0
91.05458	3.7
93.07024	8.8
95.08571	2.3
97.02885	2.6
99.04434	1.9
105.06987	6.8
107.08593	11.3
108.05767	1.4
109.02869	2.3
111.08009	1.1
119.08547	1.6
121.06479	2.1
121.10136	30.8
121.17756	1.1
123.08058	42.2
124.99999	1.8
127.03902	3.9
131.08546	1.8
133.10109	3.0
135.08052	15.4
136.07530	2.7
137.09604	2.4
147.11642	2.1
149.09608	30.0
151.11172	9.6
169.96358	1.1
175.11185	2.7
177.09077	6.1
193.12239	7.6
195.10153	100.0
196.10538	2.6
221.11751	2.8
239.12708	8.1
276.94174	1.4
403.35809	1.2
487.21021	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	486.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01864	3.6
55.05502	8.5
56.05026	2.7
57.03413	3.2
58.06590	1.9
60.04514	7.1
61.02913	3.4
65.03920	1.8
67.05496	8.6
69.03422	24.1
69.07071	3.4
69.99931	7.9
70.06584	36.9
71.04971	4.1
71.06920	1.7
72.08146	13.3
73.02898	2.2
74.06067	3.2
79.05487	7.2
81.03409	17.9
81.07049	10.4
82.06564	3.1
83.04974	14.7
84.04490	17.0
84.08134	21.1
85.02897	23.1
85.06530	4.2
86.09695	11.6
87.00810	8.5
87.05558	2.1
91.05473	8.4
93.07024	8.1
94.06563	3.2
95.04946	2.3
95.08598	5.5
96.04495	3.0
96.08124	18.8
97.02873	9.4
97.06524	35.1
98.06046	8.9
99.04443	9.8
102.05537	2.5
105.01843	7.0
105.07030	5.0
107.04932	2.6
107.08588	12.5
108.08096	8.1
109.02876	10.4
109.06509	13.6
109.10146	9.9
110.06046	7.8
110.07148	5.0
110.09657	16.7
111.04381	1.7
111.08057	3.6
115.05415	2.4
116.07074	4.0
116.98555	2.3
117.01818	2.1
117.07052	2.2
119.04962	2.2
119.08551	3.0
120.08094	3.2
121.06488	5.5
122.06009	2.4
122.09648	4.4
123.04562	1.3
123.05505	1.5
123.08044	5.0
124.07581	14.6
127.03909	18.2
129.01779	1.7
129.10220	11.3
133.10107	6.7
134.09657	3.6
135.08025	17.2
136.07570	8.5
137.09604	13.1
138.09122	41.0
142.08676	1.7
145.04938	4.1
147.04414	6.2
148.11232	2.5
151.11230	2.1
154.08633	5.6
155.08134	2.4
159.02870	5.7
160.07486	1.9
160.11217	3.8
161.09581	7.9
162.09122	10.8
163.03854	1.7
163.06247	2.3
163.07523	20.0
163.45615	1.4
164.07042	3.5
165.12727	7.7
174.12706	2.0
175.11240	3.7
176.10654	8.9
178.12206	14.1
179.10672	4.7
180.10210	6.3
192.13808	5.8
194.11766	6.5
202.12296	5.9
203.10698	1.7
204.08734	1.6
213.12492	1.4
216.97903	2.3
220.13310	100.0
222.12186	1.8
231.04906	3.2
232.33061	1.6
238.14362	82.0
245.11446	2.1
306.17212	2.4
400.19867	2.4
486.19806	34.4
486.26648	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	485.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.5
57.03426	6.0
57.07077	23.4
67.05481	6.8
69.07053	4.6
71.08632	16.8
72.45112	2.1
81.07044	8.4
83.08622	4.1
85.10179	10.4
95.08615	10.2
98.21629	4.9
98.98456	12.3
109.10159	3.4
122.47578	2.0
133.61490	2.1
155.01083	6.8
178.62604	2.3
181.61098	2.6
185.40096	2.2
276.83600	2.3
313.27344	100.0
314.27676	3.0
449.25949	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	485.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.5
57.03437	5.4
57.07073	27.1
61.38913	0.9
64.04461	1.4
67.05501	5.6
69.07064	3.5
71.08625	16.0
71.34757	1.8
81.07043	8.9
83.08624	5.1
84.55758	1.0
85.10169	8.3
89.06033	3.0
89.19580	1.1
95.08607	10.3
97.10152	2.3
98.98450	18.3
109.10148	6.6
121.06531	1.1
123.11684	1.0
146.94902	1.1
155.01021	14.0
158.22644	1.0
173.02084	2.4
177.05504	2.0
177.11232	1.6
180.97726	1.3
239.23634	1.5
245.15836	1.2
247.05695	1.3
313.27328	100.0
314.27765	2.7
393.24112	3.2
449.26376	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	485.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
55.73228	1.4
56.96560	25.8
67.05500	1.9
69.07059	2.4
71.95246	3.5
74.97622	1.3
78.16533	1.4
79.05467	1.8
81.07037	2.7
93.07038	2.4
97.10161	2.4
102.92609	1.9
105.06997	2.9
110.73269	1.5
120.93675	1.6
128.98619	1.7
131.08580	1.6
136.93132	5.5
137.49821	1.4
146.99657	3.8
150.95572	6.0
154.94131	15.4
168.95660	9.6
172.95236	49.8
172.96742	2.4
186.96780	100.0
189.04321	1.7
190.96263	28.0
195.96825	3.0
204.97842	84.8
209.98418	12.8
210.96803	3.0
224.98367	6.0
226.99908	2.7
227.99419	7.4
228.97821	14.3
233.00113	1.5
242.99413	18.8
245.00891	3.0
246.98814	2.7
247.99890	2.2
261.00375	4.0
266.01025	3.2
279.12650	1.8
317.17865	91.8
318.18158	2.4
321.91696	1.5
333.17313	3.8
335.18866	49.7
344.34726	1.4
358.20471	15.6
373.20483	6.3
397.14911	2.2
411.16129	12.1
425.17548	12.8
453.17126	20.5
467.18634	12.1
471.18192	49.7
480.26801	1.5
485.19846	28.3
485.35056	1.7
494.19684	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	483.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.7
56.96553	0.7
57.03406	0.6
67.05492	2.1
69.03439	1.3
69.07063	1.2
70.06587	1.0
71.59948	0.7
76.16917	0.5
79.05486	1.8
81.03398	1.7
81.07049	2.8
83.04969	0.9
84.08123	0.9
85.02873	1.3
85.06559	0.5
87.04989	0.5
91.05469	1.4
93.07037	2.4
95.04965	1.2
95.08596	2.2
97.06535	1.7
97.10150	0.7
99.04482	0.5
101.25815	0.5
105.07017	1.8
107.08593	1.9
109.02921	0.6
109.06511	1.1
109.10179	1.6
111.04408	0.8
114.10682	0.5
119.08575	1.9
121.10160	1.3
123.08105	1.0
127.03869	0.9
130.04987	0.5
131.08528	1.0
133.10123	0.9
135.11687	0.9
137.05963	0.8
137.09621	0.8
145.10135	1.0
146.63914	0.6
146.97386	0.7
149.09601	0.6
151.11215	0.8
155.11932	0.5
159.11707	0.7
163.03912	0.7
175.11214	0.6
203.05165	1.1
215.07114	0.7
259.07697	0.8
283.14111	0.6
303.23401	0.6
321.16699	1.7
411.52301	0.7
483.21979	100.0
484.22446	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	484.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62483	0.9
55.01878	2.3
55.03583	0.8
55.05501	1.7
57.03433	6.1
59.05010	1.0
61.02929	3.3
64.95342	0.8
67.05499	1.7
67.43331	0.8
69.03417	11.5
69.07073	5.3
70.03034	5.4
70.06580	2.9
71.01333	1.5
71.04985	1.1
71.08627	46.7
73.02921	19.7
81.03422	3.1
81.07075	2.6
84.04541	1.5
84.08141	2.0
85.02900	25.4
86.09707	4.0
87.04468	1.8
91.03938	1.2
91.05493	2.2
93.07017	1.2
95.05003	1.7
95.08566	2.1
97.02890	19.5
97.06516	2.4
99.04447	1.6
99.08089	100.0
100.59008	1.0
103.03929	1.4
104.10775	1.1
105.07100	1.1
109.02866	1.8
115.03940	8.1
124.99999	2.2
127.03921	9.2
129.12761	12.6
130.05000	1.0
133.02704	1.1
133.04990	9.7
137.06044	0.9
145.04974	6.4
147.04376	1.2
155.14310	2.5
163.03906	1.2
163.06012	3.7
173.15370	81.2
174.15694	1.3
184.07333	12.4
215.06888	1.1
241.07072	2.6
259.10065	1.3
484.28625	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	483.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.2
55.05506	3.7
57.03419	7.2
61.02896	3.1
67.05485	7.2
69.03425	8.3
69.06713	3.1
69.07059	30.9
70.06580	8.1
71.04980	4.0
71.11893	3.1
71.12257	5.0
72.08137	5.3
79.05482	15.5
80.05783	2.1
81.03421	7.1
81.07037	11.8
83.04973	4.4
84.04489	2.7
84.08125	2.2
85.02887	6.3
85.06536	3.0
86.09695	2.7
87.08057	2.5
89.03870	3.1
91.05477	6.1
93.07027	7.2
95.04968	5.8
95.08604	8.5
96.04483	2.3
97.02834	5.4
97.06527	100.0
97.10149	2.4
105.07014	6.0
107.08552	7.0
109.02850	4.0
109.06533	4.4
109.10132	4.5
109.19442	2.4
111.08047	6.0
117.03333	5.1
119.08575	6.9
119.49302	2.1
120.08150	4.2
121.10110	4.2
123.08073	6.2
127.03945	3.2
129.09097	4.7
131.04918	2.7
131.08582	4.7
133.02847	4.0
133.10104	3.4
135.04372	6.9
135.11691	3.8
136.07568	3.0
137.06061	3.3
137.09576	2.5
138.09131	8.3
143.08549	3.0
145.02827	6.5
145.10097	3.6
147.04393	6.3
157.10045	3.2
158.97391	3.4
159.04367	9.2
159.11655	3.9
161.02356	32.4
161.09653	2.9
163.03900	59.8
168.15034	2.3
173.02339	64.1
174.02724	2.4
175.14857	3.3
185.05975	4.6
187.03952	2.6
200.98407	2.7
215.07011	98.1
216.07373	2.9
217.15765	4.0
218.11761	2.1
233.28963	2.3
235.17020	3.3
236.67848	2.1
241.08566	20.0
253.05142	2.9
259.09686	23.0
273.11237	12.6
291.12250	73.5
426.81686	2.5
483.22397	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	483.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79788	0.7
53.03940	1.8
53.65570	0.8
55.01857	2.3
55.05505	3.5
57.03425	4.5
59.04982	2.1
61.02923	1.9
67.05487	3.8
69.03398	2.0
69.07063	24.5
70.85024	1.7
78.60624	0.8
79.05479	12.8
81.03422	1.6
81.07053	4.7
83.04980	1.7
85.02903	1.9
85.06571	1.2
89.03896	3.7
91.05466	1.8
93.07026	1.9
95.04961	2.0
95.08618	1.5
97.02909	0.9
97.06520	95.7
99.23949	1.0
105.07030	1.5
107.04945	2.0
107.08550	1.2
109.02822	1.0
109.10147	2.0
111.04418	1.3
111.08071	2.8
117.03374	3.1
119.08567	1.6
121.06471	1.1
129.09135	4.0
129.10161	0.8
131.04802	0.9
133.02818	3.4
133.10161	1.0
135.04420	7.9
145.02856	5.9
145.06564	0.9
147.04391	1.6
159.04393	10.2
159.11668	1.2
161.02319	26.7
161.09645	1.0
163.03885	61.1
167.08548	1.1
173.02324	61.4
185.05914	5.1
187.03964	1.5
187.07475	2.2
191.03345	10.2
197.05844	1.0
199.03951	1.1
213.09048	1.0
215.06996	99.6
216.07265	1.7
231.06587	0.8
233.08115	4.4
241.08611	16.9
259.09616	31.8
260.10028	1.1
273.08530	1.4
273.11212	16.5
291.12228	100.0
292.12567	2.4
421.93906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.5
55.05502	4.2
55.70589	1.1
57.03425	5.2
58.54330	1.0
59.67402	1.1
65.03918	1.3
67.05483	5.7
68.14241	1.0
69.03434	3.8
69.07065	21.0
69.75188	4.9
69.75619	3.0
70.06571	2.1
71.04974	3.6
79.05484	21.6
81.03403	3.0
81.07043	8.8
83.04971	2.9
85.02888	1.4
85.06557	1.6
89.03891	3.7
91.05483	3.3
93.07030	4.5
95.04984	5.9
95.08592	4.2
97.02867	2.0
97.06525	58.1
97.10165	2.5
98.21404	2.1
105.07008	2.6
107.04947	2.9
107.08586	3.9
108.24793	1.3
109.10143	3.5
111.08057	9.9
112.08876	2.5
117.03380	2.5
117.06995	1.6
119.04925	1.9
119.08552	2.8
120.08089	2.3
121.10197	1.7
123.11634	1.7
127.03915	1.6
129.09116	4.3
133.02849	5.0
133.10104	2.8
135.04410	6.7
135.08096	1.5
135.11652	1.4
137.09607	1.5
141.07004	1.4
145.02826	7.6
145.10118	1.7
147.04393	3.7
148.07512	2.8
159.04419	4.1
161.02318	9.4
163.03899	40.7
167.08456	1.4
173.02338	95.0
173.13284	1.5
174.02708	1.5
175.03931	2.2
177.05484	6.8
185.05937	4.0
187.03883	4.1
191.03371	13.1
195.07938	3.7
197.06027	2.3
201.05519	1.3
207.06435	1.2
213.09073	4.2
215.07018	84.3
216.07355	2.5
223.07426	2.5
233.08118	4.1
235.16843	2.1
241.08585	52.0
259.09644	67.5
273.11200	100.0
291.12277	6.0
433.15225	1.3
483.24033	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	482.9994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40793	1.1
56.96560	2.9
59.41426	1.0
70.25020	3.7
75.98792	0.9
98.97574	7.6
99.99636	1.0
116.98604	10.5
119.01929	1.6
134.99661	8.8
153.00763	2.3
162.63638	0.9
174.00540	1.1
174.97649	2.2
177.00948	3.0
177.53162	1.3
192.98749	6.0
216.98781	1.8
218.35252	1.1
219.02032	1.4
232.96687	10.0
234.99727	6.2
238.95747	1.2
240.98921	1.7
250.97771	18.6
251.00159	2.1
256.96634	8.7
258.99890	9.1
261.00247	1.0
261.02997	6.0
262.03314	2.0
263.02899	1.2
268.98727	1.4
274.97726	58.2
275.97913	3.3
276.98068	1.8
277.00900	14.0
278.01175	3.4
279.00891	3.5
280.96875	2.6
282.99930	12.7
283.99915	2.5
285.99774	1.3
292.98752	17.1
298.97711	35.9
299.98010	2.6
300.97763	1.3
301.01035	27.9
302.01221	5.7
303.00989	4.6
304.01077	1.4
316.98779	100.0
317.99066	6.0
318.98911	1.3
319.02090	2.8
332.96744	2.2
334.99805	6.4
340.00412	2.9
340.98843	1.3
358.99713	5.3
374.97891	2.5
398.97806	1.2
401.01175	3.7
402.01309	2.4
411.89182	1.3
416.98969	9.6
422.98029	4.4
425.01169	4.1
440.98798	33.5
441.99246	1.9
443.02338	16.2
444.02332	3.1
445.02258	2.3
456.91019	1.3
458.99921	83.0
459.99780	5.9
461.00534	1.3
477.00900	3.1
477.90253	1.7
482.01300	4.8
483.01736	10.8
501.02414	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	482.3237
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.05493	3.6
55.19777	1.1
56.45050	1.0
57.03436	3.0
57.07072	37.2
62.06085	23.6
67.05490	4.7
69.07054	5.3
69.88625	7.1
71.08628	29.3
73.06550	1.5
75.42060	1.0
79.81216	1.0
81.07050	5.7
82.00906	1.1
83.08617	6.0
85.10178	17.8
89.06016	23.8
95.08595	9.6
97.10162	4.2
98.98461	6.0
99.11784	1.2
107.07076	1.8
109.10151	3.1
111.11706	3.0
113.13204	1.5
123.11655	2.0
133.08612	14.5
155.01044	6.4
177.11182	6.2
198.05270	2.5
216.06442	2.8
221.13881	1.1
225.67967	1.1
248.04225	1.2
267.26846	1.4
283.17474	7.7
305.08105	1.5
310.31015	14.6
341.30481	100.0
342.30905	1.8
352.12201	1.3
421.27280	5.1
464.31561	1.3
465.37830	5.8
482.36719	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.0
55.05497	6.1
55.05743	1.3
56.15340	1.5
57.03429	5.0
61.02911	4.6
62.95221	1.3
66.36167	1.4
67.05493	10.8
69.03407	4.3
69.07062	3.5
70.06592	2.9
70.43732	5.8
71.04981	5.0
72.08120	2.3
73.02908	2.8
79.05489	10.7
81.03415	43.6
81.03910	2.2
81.07053	14.1
83.05000	9.0
83.08612	15.0
85.02898	14.5
86.09687	2.7
91.03956	1.9
91.05482	14.1
93.07032	10.6
95.04958	16.1
95.08633	3.4
97.02878	5.9
97.06532	2.3
97.84988	1.3
105.07029	9.5
107.04942	2.2
107.08583	4.6
109.06479	2.9
111.04417	1.9
111.08082	9.4
113.05954	1.8
119.08591	10.9
121.10125	6.8
129.06996	6.4
131.08606	7.2
133.06474	1.7
133.10115	7.7
134.93076	1.4
135.11696	1.5
147.08076	2.1
147.11659	9.8
149.09590	4.4
153.12677	8.3
157.10133	9.3
165.12700	2.0
175.11200	9.9
193.12233	53.5
211.11284	2.8
211.13286	45.6
267.15918	18.0
281.09366	1.6
285.16949	100.0
286.17349	2.3
304.05453	1.6
322.96323	1.6
347.64767	1.4
359.12280	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	482.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05500	0.7
56.05036	0.9
57.03432	1.4
60.04525	0.9
65.03941	1.3
69.03423	4.9
70.02914	0.7
70.06587	13.2
70.99538	2.2
71.05000	0.9
72.08153	5.2
73.02901	1.4
75.59251	0.6
78.03459	6.7
79.05490	3.3
80.04990	2.0
81.03410	10.4
81.07072	1.3
83.04957	1.0
84.04485	0.9
84.08147	6.2
85.02908	7.0
86.09698	2.8
87.05597	1.2
88.03956	2.0
91.05476	17.7
94.04195	1.2
95.04937	1.1
95.08649	0.8
96.04492	4.1
97.02879	5.4
99.04430	2.2
103.48943	0.7
105.07039	1.0
106.02908	36.3
107.04923	2.8
109.02864	6.7
110.07178	1.6
112.08738	0.8
113.71593	0.7
117.03355	1.7
119.04934	39.1
120.08087	5.5
121.06490	1.9
121.08465	0.9
122.03609	3.8
124.03944	75.7
127.03926	4.8
128.99405	0.8
129.10240	3.8
130.06529	2.6
135.04385	3.3
136.07556	0.9
137.05966	100.0
145.02856	5.2
147.04395	73.3
148.78516	0.7
149.05969	1.6
151.07513	1.9
164.04730	1.0
165.05473	1.2
166.05069	1.1
167.07037	2.6
175.08676	1.8
177.05447	6.5
179.07022	41.7
184.07417	1.0
193.12247	2.2
197.08063	6.8
203.08267	0.9
232.06079	1.1
234.12334	1.4
237.15834	0.7
250.07101	20.6
267.16003	1.3
268.08142	38.2
285.16989	2.1
293.68805	1.0
302.19714	1.2
329.53558	0.7
365.13467	1.1
434.14429	37.3
464.15378	7.7
464.24969	1.1
482.17316	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	481.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01871	4.0
55.05502	6.2
56.05024	3.5
56.96562	3.3
57.03430	3.3
60.04513	3.3
61.02917	6.3
61.97671	1.8
67.05499	25.2
69.03419	9.5
69.07069	4.0
69.51368	16.1
70.06590	28.7
71.05003	4.7
71.14461	1.8
72.08142	11.8
73.02915	5.1
79.05494	5.5
81.03422	20.2
81.07047	20.7
82.06548	1.8
83.04981	5.5
83.08638	2.5
84.04469	4.3
84.08138	19.3
85.02910	12.1
85.06528	3.0
86.09702	18.0
88.03990	1.9
91.05477	8.4
93.07042	8.5
95.04945	8.3
95.08598	13.3
97.02921	8.6
97.06528	5.4
99.08033	3.1
101.06000	3.4
105.07041	6.2
107.04957	2.7
107.08595	9.3
109.02860	20.2
109.06513	4.0
109.10149	44.5
110.07167	5.7
111.08134	1.9
114.05573	1.8
116.07062	3.9
119.08565	5.7
120.08112	13.6
121.06493	1.9
121.10118	7.4
123.11765	2.2
125.05993	3.0
125.09646	2.8
127.03896	8.9
129.10226	9.3
132.10165	1.7
132.95825	2.0
133.10147	2.8
135.08047	3.0
136.07509	3.4
137.05995	6.8
137.09602	97.9
144.08090	2.2
147.04381	2.8
147.08081	2.9
149.09650	2.4
153.01778	3.7
155.10660	4.5
161.09645	1.8
163.04036	2.2
165.09105	100.0
175.11345	2.9
183.10112	7.6
185.16476	3.0
193.12251	2.1
199.04102	1.7
201.11182	8.4
237.48955	2.2
273.03613	3.5
285.16953	6.3
286.04688	2.7
287.05487	26.9
288.05643	3.1
291.12247	8.1
309.13339	32.7
317.06430	3.7
318.06897	3.4
319.04297	6.3
319.07239	5.2
319.12860	2.7
327.14413	5.4
361.02182	4.7
379.03461	3.2
473.86267	2.7
481.07248	2.7
481.14111	3.1
481.21399	4.4
481.29059	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77689	0.5
52.36104	0.6
55.01884	0.8
55.05508	1.3
56.05028	1.3
57.03436	1.1
60.04519	11.6
61.02922	0.8
64.81054	0.7
67.05502	1.2
67.23205	0.6
69.03423	2.0
69.07053	1.8
70.02963	1.4
70.06590	8.2
70.72878	2.0
71.04990	0.8
71.96766	0.6
72.08148	2.0
73.02921	2.6
79.05486	1.5
81.03410	2.0
81.07059	2.4
84.04487	1.3
84.08132	3.2
85.02887	3.3
86.06045	0.7
86.09698	100.0
86.47493	0.9
87.05583	6.9
87.10017	1.1
88.03985	2.4
91.05482	2.0
93.07032	2.6
94.06510	1.0
95.04947	1.3
95.08572	0.8
97.02882	2.9
97.06509	1.3
99.04463	0.9
103.05456	3.0
105.06971	1.6
107.04954	0.7
107.08587	2.3
108.21604	0.6
109.02881	1.4
109.06527	0.8
109.10117	2.0
109.30166	0.8
110.07166	1.3
110.09657	1.1
111.08070	1.9
112.08461	0.9
115.03920	0.7
115.05051	6.9
115.73882	0.6
120.08094	98.1
121.10172	0.8
123.11715	1.8
124.12074	1.5
126.09161	2.6
127.03916	1.4
128.10718	2.5
129.10229	1.5
130.04968	0.8
131.04961	0.8
131.08185	2.4
133.04990	0.7
133.10086	0.7
136.07562	1.2
137.06042	1.0
138.09117	0.8
145.04822	0.8
145.07607	0.8
145.10184	0.8
147.05818	0.8
148.07533	3.6
149.09583	0.8
157.06064	7.8
166.08591	4.9
169.12163	5.3
170.12579	4.7
173.12846	22.1
175.07108	5.0
184.07440	0.7
192.50150	0.8
201.12325	12.4
203.06619	7.4
225.07991	1.0
230.08069	2.5
242.08095	1.6
263.10007	0.8
270.14603	1.4
279.17004	7.9
281.11295	21.3
287.05280	1.0
288.15433	1.8
303.17084	1.1
316.14941	3.1
332.17838	1.0
348.19373	1.0
417.20984	0.8
481.07639	2.5
481.15994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01865	4.2
55.05495	8.5
56.05021	3.8
57.03430	7.0
60.04511	4.8
61.02906	4.4
67.05499	7.4
69.03429	19.1
70.06586	75.7
70.73563	5.4
70.73923	5.2
72.08157	18.7
73.02917	2.9
79.05479	7.6
81.03391	8.4
81.07056	7.0
83.05000	3.6
84.04491	11.6
84.08143	30.0
84.29398	2.5
85.02901	97.5
86.09695	35.5
88.03992	3.0
91.03941	3.2
91.05462	8.4
95.04963	6.3
97.02892	40.2
99.04444	5.0
102.05528	4.7
103.03934	4.7
105.07017	4.3
106.02933	3.2
106.06523	3.9
107.08543	3.7
108.08113	10.0
109.02885	19.2
110.07151	10.0
116.98608	3.7
119.04951	4.1
120.08101	16.4
122.06029	4.6
124.03902	4.6
125.05981	6.4
126.05531	8.0
126.09135	4.4
127.03921	25.3
129.10220	10.6
130.05054	3.1
130.06511	8.0
133.06435	3.6
135.08188	3.7
136.07571	36.7
140.07059	66.8
145.04964	39.6
147.04364	10.2
149.05899	3.3
150.07944	2.3
150.09128	7.7
152.07045	17.5
154.08598	6.5
157.07599	8.9
158.05939	3.4
161.05960	6.4
163.06061	16.5
164.07048	22.9
174.05392	2.6
177.05431	6.4
178.08652	13.9
182.08124	100.0
183.14865	3.2
185.07108	3.3
206.08121	59.4
218.08139	6.0
229.03627	3.5
232.07005	6.4
233.07819	5.7
234.98969	3.2
236.09192	6.4
237.02844	3.2
248.09074	10.2
266.10123	5.5
266.92795	3.6
272.13940	3.8
279.06509	3.2
284.11230	7.6
300.13458	3.9
302.12701	13.5
312.99783	2.7
366.14474	9.2
427.15048	4.6
437.14081	27.1
446.03702	2.9
453.18494	3.2
463.17441	6.0
481.12546	64.4
481.26642	5.9
482.13495	3.4
482.33911	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	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01447	1.0
53.03925	1.5
53.06955	1.0
55.01855	1.9
55.05497	3.5
55.20676	1.2
57.03426	3.4
60.04517	1.9
61.02905	2.4
67.05498	6.1
69.03415	2.2
69.07063	2.0
69.61922	8.5
70.06586	5.0
72.08141	3.6
73.02902	1.4
79.05491	10.3
81.03404	4.6
81.07053	11.0
83.04966	2.3
83.08608	3.7
84.04476	1.3
84.08124	2.2
85.02892	4.7
86.09682	3.6
91.03905	1.2
91.05441	5.5
93.07041	14.8
94.06540	2.1
95.04945	4.0
95.07339	1.2
95.08602	15.0
95.52879	1.1
96.08109	1.9
97.02874	4.2
97.06512	3.5
99.04457	2.6
105.07027	4.1
107.04926	4.7
107.08589	11.7
108.04407	1.1
108.08134	1.3
109.06490	1.2
109.10126	2.1
110.09662	2.8
111.04475	1.3
111.08095	1.2
117.07029	2.9
118.06525	1.2
119.08553	4.2
120.04462	2.4
120.08057	5.4
121.02877	9.0
121.06472	3.3
121.10081	5.6
122.60696	1.0
124.07610	1.3
125.05958	2.6
127.03901	2.2
131.08627	1.1
133.10115	1.5
134.06015	2.5
135.08064	1.9
135.11688	22.5
136.07552	2.6
137.05951	2.2
138.09148	5.3
139.03893	1.8
141.28979	1.0
145.10110	12.2
146.05978	5.2
148.07544	2.3
153.02034	1.2
154.08621	1.9
163.11163	33.6
166.08623	9.8
173.13013	1.1
181.12241	5.7
209.11748	1.4
209.43849	1.0
225.10222	1.3
227.12782	41.0
239.11726	2.0
242.09845	1.1
267.11276	1.3
273.12277	2.7
283.15384	100.0
284.15625	2.1
299.14035	5.3
315.13272	1.9
327.13379	4.6
358.27469	2.4
360.25519	5.9
380.23566	1.1
418.29376	1.7
420.27545	6.9
420.32211	1.3
444.25763	1.8
445.20761	1.3
462.26987	2.3
480.29666	21.4
481.07791	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	480.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
56.05006	0.7
56.96554	2.5
57.03436	0.7
58.69540	0.6
61.02911	0.6
67.05482	1.8
69.03426	0.7
69.07054	1.2
69.55889	3.4
70.06582	3.9
72.08134	1.4
73.31854	0.5
78.62639	0.5
79.05485	1.5
81.03388	0.7
81.07030	1.7
83.04970	1.2
84.08128	1.6
84.96017	0.7
85.02875	1.3
86.09718	2.7
91.05446	1.4
93.07031	2.5
95.04940	0.9
95.08587	1.2
97.02892	1.3
97.06507	0.7
98.09689	1.1
105.06999	1.4
105.72636	0.6
107.04870	0.9
107.08550	0.9
109.10151	1.6
111.08070	0.9
119.08585	0.8
120.08060	1.0
121.10127	0.9
122.10474	0.8
123.08039	0.8
127.03909	0.6
131.08557	0.7
133.10141	0.8
135.08084	0.6
136.06221	0.8
136.07545	0.7
137.05911	0.6
137.09549	1.4
143.08548	0.6
145.10126	0.6
147.11671	1.3
149.33044	0.5
157.10120	0.8
165.09064	1.2
174.02303	0.8
180.03232	0.7
184.02876	0.6
192.03348	2.3
198.04359	1.9
204.03386	1.4
208.02806	0.7
210.04361	14.3
222.04373	13.0
224.02209	3.5
228.05399	6.5
235.76328	0.7
236.02321	2.3
240.05461	5.3
242.03331	1.9
254.03410	1.9
262.07547	1.4
282.07736	1.2
283.07541	2.2
283.15387	1.5
287.04791	1.3
293.05902	1.3
294.06903	0.7
296.04907	0.7
297.09091	5.4
299.04483	1.0
300.09055	3.5
301.08600	2.2
304.28452	0.7
307.07672	1.6
309.09058	6.5
311.06839	2.5
315.10089	4.4
318.10101	2.2
320.04581	1.0
323.06992	1.4
324.04144	3.1
325.08566	5.5
327.10172	6.6
329.08105	2.5
335.06937	17.9
338.05737	3.0
341.08115	4.2
342.05170	1.4
343.09729	3.1
343.13275	0.7
347.09122	2.2
353.08054	100.0
354.08337	2.2
356.06821	2.6
359.09219	3.2
369.75055	0.6
371.09119	37.0
376.09702	6.3
389.10214	2.0
394.10834	1.4
395.09152	12.4
413.10190	21.3
431.11374	1.0
436.11642	2.4
436.20117	2.7
439.08163	6.1
457.09158	31.9
458.09283	1.1
462.22284	0.8
475.10278	0.9
479.19153	0.7
480.10757	2.9
480.19058	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	479.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.7
55.01870	14.7
55.04975	1.8
55.05510	31.7
56.57541	1.8
57.03435	43.0
57.07056	4.9
61.02914	4.6
65.03922	5.4
67.05498	93.4
69.03426	61.5
69.07060	31.0
69.07412	3.8
71.01340	6.3
71.04984	11.7
73.02919	9.9
75.04474	2.6
77.03925	2.2
79.05485	72.7
81.03410	56.5
81.07049	100.0
83.04989	14.2
83.08619	14.1
85.02898	35.4
85.06517	6.0
86.09695	4.9
87.04437	5.0
91.05474	60.8
93.07032	68.5
94.07349	2.6
95.04963	21.5
95.08598	66.6
97.02896	23.8
97.06535	11.2
97.10143	6.8
99.04439	18.1
99.08052	3.0
101.02350	3.7
103.03926	14.4
103.05444	2.0
105.07017	59.9
107.04962	12.3
107.08584	41.2
109.02869	21.2
109.06530	10.9
109.10152	31.8
111.04429	10.2
111.08084	4.4
115.03907	7.7
115.05411	4.0
117.05493	3.7
117.06998	31.6
119.07780	3.3
119.08575	44.6
121.06474	10.8
121.10128	32.7
123.04404	5.9
123.08033	7.3
123.11700	7.5
124.99959	2.8
125.09659	5.3
127.03905	33.3
128.06218	5.5
129.05511	9.4
129.06993	19.9
130.07762	3.4
131.08557	42.3
133.06465	11.4
133.10120	32.3
135.08031	7.3
135.11694	20.0
137.05939	3.4
137.09576	4.4
137.13287	2.7
139.11131	2.7
139.53661	2.1
141.06953	6.2
142.07738	4.7
143.08557	24.1
145.04958	8.5
145.06499	9.1
145.10104	33.6
147.08025	10.3
147.11665	24.0
149.09589	8.3
149.13208	12.4
154.07819	2.4
155.08492	10.6
157.06424	3.8
157.10091	19.8
159.08011	5.6
159.11679	23.1
161.05936	2.9
161.09608	5.4
161.13228	15.8
163.07494	2.5
163.11150	4.9
163.14781	3.7
167.08527	5.0
169.10085	11.8
171.07991	6.2
171.11665	17.4
173.09612	6.4
173.13199	17.3
175.07588	3.0
175.11188	8.7
175.14828	6.4
177.12740	2.9
181.10098	4.7
183.06488	6.5
183.08015	3.1
183.11659	6.8
184.07278	10.8
185.09561	4.2
185.13271	13.2
187.11194	6.7
187.14836	11.1
187.64389	2.0
189.12701	4.0
193.12193	3.0
195.11700	5.6
197.13182	4.4
199.05849	2.3
199.11131	2.6
199.14799	4.7
201.07433	4.2
201.12730	4.7
203.14351	2.2
209.13248	5.5
211.11319	3.0
211.14906	3.3
213.12772	4.8
213.16333	2.1
215.14320	3.0
215.78183	2.0
217.15828	3.2
219.13896	3.1
223.14908	3.0
225.16444	2.3
233.15222	4.5
241.19478	3.6
255.21164	2.3
259.20557	9.6
261.22128	13.0
273.22153	4.7
275.23465	2.4
277.21512	3.2
285.22162	4.1
289.21805	2.1
299.23557	3.4
301.21609	5.7
303.23111	7.4
307.28311	3.0
313.21793	3.0
315.23221	6.7
317.24710	3.6
317.32556	2.3
323.23700	3.7
327.23187	10.9
335.25748	8.2
338.27649	8.8
341.24640	10.0
345.24081	9.0
351.22986	12.9
353.26822	2.7
359.25757	3.1
363.25272	3.5
369.24185	25.9
375.25223	2.3
377.26840	2.6
387.25235	15.2
389.26746	3.2
401.27142	2.2
405.26129	4.1
419.28000	3.5
425.26752	3.8
431.27963	5.6
443.27823	20.1
449.28793	5.7
461.29004	46.2
479.29971	59.7
480.30045	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.05499	1.6
56.05020	0.5
56.96555	0.6
57.03411	0.5
67.05494	1.9
69.03413	1.5
69.07069	1.4
70.06581	4.4
71.61017	0.6
72.08132	1.7
79.05479	2.1
81.03407	1.4
81.07063	2.7
83.04967	1.0
84.04495	0.7
84.08121	2.9
85.02891	1.3
85.06531	1.1
86.09698	2.8
91.05457	2.2
93.03395	0.4
93.07022	2.7
95.04958	2.1
95.08603	1.6
97.02888	0.9
97.06521	1.6
97.10158	0.5
99.04434	0.8
105.07035	1.9
107.04962	0.7
107.08575	2.7
109.02862	1.0
109.06497	0.6
109.10150	1.8
110.07160	0.6
117.06991	0.7
119.08604	1.8
120.08092	1.8
121.06497	0.9
121.10147	1.9
123.08093	0.9
125.09604	0.9
127.03861	1.1
129.10194	0.5
131.08636	0.5
133.10118	1.8
135.04442	0.7
135.08041	1.5
135.11697	0.5
136.07530	0.9
137.05978	0.9
137.09589	2.2
143.08539	0.5
145.04974	0.4
145.10074	0.8
147.08022	0.8
147.11671	0.9
149.01140	0.5
149.09660	0.8
151.07571	0.6
157.10149	0.7
161.09531	0.6
163.03918	1.1
163.11151	1.3
165.09167	1.1
173.09604	0.7
173.13208	0.5
175.11037	0.4
185.04201	0.5
191.14417	0.6
201.12573	0.4
205.06761	0.4
227.05304	1.2
231.11397	0.8
231.13556	6.0
245.06355	1.5
251.08510	0.9
265.15219	1.0
267.14423	0.5
271.04218	3.8
289.05231	4.0
291.14542	2.3
309.15509	0.9
314.16711	0.5
317.14789	0.6
317.20868	0.4
335.23178	0.6
375.17694	1.2
393.18628	8.8
398.03598	0.4
410.08850	0.4
417.18887	1.3
435.19846	34.7
436.20337	0.8
461.19583	0.4
461.28290	0.9
479.18845	100.0
480.19257	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	479.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
54.08626	2.2
55.01863	5.2
55.05500	6.9
56.96567	3.5
57.03431	6.5
57.07071	3.3
61.02914	4.0
67.05490	13.5
69.03423	7.3
69.07056	4.5
69.27932	24.5
70.06577	15.4
71.04978	5.6
72.08145	9.2
77.28764	2.0
79.05492	17.6
81.03410	100.0
81.07049	16.6
83.04973	6.3
83.08618	22.5
84.04495	5.2
84.08140	11.0
85.02895	8.8
85.06531	3.5
86.09698	19.2
91.03963	5.3
91.04524	1.9
91.05486	21.5
93.07030	16.0
95.04957	33.4
95.08598	12.7
97.02867	9.7
97.06532	5.7
97.10172	2.7
98.97578	2.9
99.04411	2.6
99.08067	3.9
105.07033	14.7
107.04958	6.9
107.08590	9.1
109.02886	3.0
109.06522	4.1
109.10155	6.6
111.08047	11.7
116.98614	3.1
117.06991	2.6
119.08582	17.2
120.08118	12.2
121.06501	7.7
121.10111	10.1
123.04438	2.7
123.08022	2.9
125.05954	2.3
127.03887	4.8
129.06999	7.5
129.10242	4.5
131.08513	10.4
133.06488	4.4
133.10106	7.7
135.08014	3.1
135.11642	2.4
135.96661	2.0
136.07562	5.7
137.05983	3.5
137.09619	4.2
139.03862	2.2
145.10103	2.7
147.04430	3.1
147.08105	3.0
147.11668	8.5
149.01224	2.2
149.09630	8.1
151.07559	3.4
152.07016	3.0
157.10103	15.0
159.08144	2.2
162.01012	2.5
163.11168	4.1
164.07019	3.9
165.12730	3.9
173.13252	2.4
175.11195	14.6
177.05392	3.3
193.12224	88.2
211.13255	7.8
235.13264	3.2
267.15891	65.5
285.16931	40.3
301.14105	2.4
302.00443	1.9
302.04059	13.1
309.16779	11.1
317.06528	21.3
375.17911	3.6
479.15714	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	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.54735	0.3
53.03961	0.5
55.05490	0.7
61.02636	0.5
61.02923	7.3
65.03915	0.5
67.05508	0.7
69.03422	1.2
70.06599	0.6
70.20179	0.4
70.20444	1.7
72.08127	0.6
72.38810	0.3
73.02895	1.8
79.05484	0.8
81.03423	3.4
81.07051	0.8
83.08598	0.7
84.08142	0.4
85.02904	6.6
86.09689	1.0
91.03944	3.3
91.05454	0.7
92.02589	0.9
93.03398	1.2
95.04965	1.1
95.08591	0.6
97.02885	3.3
105.07009	0.4
107.08569	0.4
109.02859	0.5
120.08090	0.6
121.02828	1.2
126.03121	0.7
127.03900	0.6
131.08562	0.6
137.02338	0.5
139.03923	1.1
145.04980	0.7
145.10135	0.4
151.03850	0.7
153.01808	7.1
165.01854	0.6
191.63820	0.4
193.12204	2.3
200.04637	0.4
201.05516	0.9
217.04951	0.9
218.05664	0.8
228.04184	1.1
229.04938	3.1
231.02864	0.6
245.04475	1.4
246.05215	1.8
257.04443	2.9
260.03125	0.4
267.15967	1.0
273.03888	2.2
274.04706	4.1
284.03177	0.5
285.03955	5.2
285.16977	1.3
302.04211	12.1
317.06537	100.0
318.06851	1.6
383.07953	0.4
420.44019	0.4
441.58270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05507	12.4
57.03427	4.0
57.07067	1.2
61.27623	1.1
62.05782	2.3
62.06084	35.2
64.53113	1.1
65.03930	1.1
67.05499	30.3
69.07064	11.4
69.86181	6.8
78.03632	1.2
79.05486	8.1
81.07052	28.5
83.08601	6.2
88.76378	1.0
91.05461	4.3
93.07033	9.9
94.21777	1.1
95.04950	1.2
95.08594	20.2
97.06523	1.9
97.10165	3.1
98.21475	1.3
98.98455	9.3
105.06998	3.4
107.08566	4.8
109.10159	5.7
115.10017	1.0
119.08598	2.0
121.10128	4.0
123.11699	3.1
124.01580	1.4
133.10117	3.2
137.13271	1.4
142.02599	1.9
147.11617	1.8
149.13286	1.3
155.01022	5.0
161.13138	1.2
163.14787	1.5
173.02118	3.1
180.74956	1.0
198.05380	2.4
216.06313	4.4
217.21242	1.1
245.22801	2.1
263.23651	6.3
306.27896	11.3
319.26425	1.2
337.27341	100.0
338.27673	3.0
355.11923	1.1
448.34308	1.1
460.28339	2.5
478.29651	1.4
478.46603	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	478.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54978	0.5
55.05490	1.4
56.05024	0.9
58.06585	1.1
60.08163	15.2
61.02925	0.9
67.05487	1.9
69.07052	0.8
71.07373	7.3
71.60925	0.9
73.02911	0.6
79.05483	1.0
81.03404	1.1
81.07043	2.3
86.09701	53.5
91.05453	0.6
93.07027	1.3
93.54150	0.4
95.08616	1.3
98.98466	5.8
104.10738	100.0
106.23341	0.5
107.08563	0.6
109.10145	1.3
119.08604	0.5
124.99998	33.1
125.09669	0.5
133.10117	0.5
165.87404	0.5
166.02510	0.6
184.07330	68.5
267.09067	1.4
285.10025	1.1
315.10956	0.7
317.18198	0.7
324.11551	0.7
335.18903	0.6
349.15768	0.6
439.59241	0.5
439.93408	0.5
460.35553	1.5
478.36581	25.8
479.36728	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	478.2925
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05267	0.9
55.05511	11.9
57.03435	7.4
57.07064	1.8
65.03919	0.8
67.05503	24.9
69.07063	16.0
71.12946	2.0
76.18549	0.7
79.05491	7.4
81.07056	25.5
83.04955	1.4
83.08604	8.2
91.05470	5.5
93.07039	5.6
95.04964	0.9
95.08601	17.0
97.06522	1.8
97.10184	3.2
98.31697	0.6
105.07034	2.9
107.08601	4.0
109.10168	6.5
111.08048	1.1
119.08599	3.3
121.10127	2.5
123.11691	2.8
125.09583	0.9
133.10123	2.2
135.11665	1.0
137.13292	1.0
142.81201	0.7
147.11630	1.8
149.13225	0.7
161.13248	1.1
163.14801	0.9
175.14777	0.9
199.18997	0.7
263.23688	1.8
264.02151	0.7
306.27927	5.4
324.01450	0.7
337.27344	100.0
338.27765	3.9
389.68289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96984	2.8
55.01876	16.8
55.05507	72.3
57.03424	13.7
65.03931	5.3
67.05171	3.9
67.05505	69.6
68.05804	2.9
69.03404	9.1
69.07067	15.9
69.87628	11.2
69.88037	5.3
71.04967	7.7
79.05492	68.3
81.03412	46.4
81.07055	56.8
83.04972	10.2
83.08619	39.0
85.02903	5.4
85.06526	5.5
91.04952	4.7
91.05473	49.7
93.07039	34.8
95.04980	31.0
95.08611	27.8
97.06508	9.4
97.10168	59.9
103.05465	3.6
105.07034	39.7
107.04956	43.7
107.08603	35.8
109.06506	11.6
109.10168	15.1
111.08067	8.2
112.78572	2.5
113.06028	2.9
117.07014	20.9
119.08590	20.9
121.06493	45.7
121.10131	7.6
123.04428	3.3
123.08041	7.9
123.11710	3.0
125.09637	42.2
128.06233	5.6
129.07008	18.1
131.04884	5.9
131.08577	28.5
133.06454	12.7
133.10135	10.3
135.04451	3.1
135.08040	14.0
141.06993	7.9
143.08569	13.6
145.06468	20.5
145.10147	15.5
147.04417	4.2
147.08017	18.2
147.11676	12.9
149.09612	7.9
153.09128	9.1
153.12740	3.1
155.08516	9.5
157.06503	5.9
157.10071	14.1
159.08070	6.6
159.11699	7.4
161.05975	5.4
161.09612	5.7
163.11177	7.8
169.10095	5.2
171.07997	7.9
171.11664	9.7
173.09554	5.3
173.13202	2.9
174.55695	3.4
175.11203	11.0
181.10107	4.1
185.09648	4.8
185.13255	4.1
187.11179	4.8
189.11226	29.5
189.12746	4.9
193.12215	22.7
195.11671	4.2
197.09644	3.5
197.13263	7.5
199.11168	8.9
205.12177	4.0
211.13123	4.2
215.14319	8.9
217.12285	4.6
227.12634	25.0
227.14644	3.1
231.13872	3.5
233.15370	20.8
241.12170	2.9
241.14365	5.3
243.13841	3.7
245.15422	6.6
249.14864	4.3
255.13724	4.5
267.16016	17.3
271.16885	3.4
273.14752	15.1
275.16461	5.2
282.03754	3.0
289.17838	3.4
291.15939	2.8
321.22086	3.9
323.20123	3.6
339.23053	8.1
349.21710	20.8
350.74084	3.0
357.24191	15.3
367.22659	48.7
385.23730	100.0
386.24213	3.1
401.43951	2.7
403.24799	38.0
433.25803	11.2
441.26263	6.1
459.27411	95.9
460.27811	8.1
477.28506	63.5
478.28244	4.7
494.75085	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	477.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67484	3.1
52.54519	3.8
53.03930	8.9
55.01862	20.5
55.05263	4.8
55.05507	73.1
57.03420	14.9
67.05173	5.5
67.05504	76.9
69.03409	9.7
69.07057	17.9
69.53231	22.9
71.04970	6.8
79.05487	77.1
81.03413	49.5
81.07048	71.0
83.04955	11.1
83.08608	34.0
85.02905	5.2
85.06539	4.1
88.33327	3.6
91.05470	61.0
93.07032	49.0
95.04962	42.6
95.08596	32.4
97.06519	11.0
97.10163	63.5
98.21447	6.8
103.05469	3.6
105.07021	41.9
107.04947	47.0
107.08580	43.7
109.06502	14.5
109.10157	19.6
109.41359	3.1
111.08076	7.8
111.61594	3.0
117.07000	21.1
119.08564	27.5
121.06491	47.8
121.10096	19.0
123.04485	4.9
123.08040	11.8
125.09616	45.5
128.06259	7.1
129.07007	20.7
131.04913	13.7
131.08560	27.5
131.65674	3.5
133.06496	15.5
133.10123	14.9
135.08061	18.0
135.11710	3.4
137.06065	4.5
137.09624	5.6
141.06982	10.1
143.08578	10.9
145.06483	27.4
145.10112	12.8
147.04353	3.3
147.08034	16.0
147.11670	14.5
149.05899	4.4
149.09593	9.2
151.07425	4.3
153.09082	11.3
153.12646	3.5
155.08572	9.5
157.06503	8.1
157.10075	13.3
159.08049	10.4
159.11703	5.2
161.05978	5.5
161.09550	6.9
163.11171	9.3
167.08542	6.3
169.10124	12.1
171.08020	6.2
171.11678	8.0
172.68802	3.1
173.09596	7.0
175.11191	10.6
181.10168	3.8
185.13168	8.7
187.11203	7.2
189.09660	4.2
189.11192	26.1
189.12695	7.8
193.12224	33.3
197.13232	5.6
199.11185	4.3
205.12227	4.1
209.13271	5.5
211.13194	9.5
215.14340	7.2
222.86736	3.4
223.13158	4.1
225.12801	3.8
227.12686	23.1
227.14642	4.9
233.15315	22.5
237.12819	4.4
241.14384	5.0
245.15417	6.0
249.14742	8.1
255.13660	6.4
259.13239	4.4
267.15915	19.7
272.44763	3.2
273.14929	22.4
291.16193	4.2
300.21747	3.7
339.22958	8.1
341.21075	11.9
344.34915	3.4
349.21530	23.7
357.24338	18.5
367.22672	54.5
385.23700	85.1
386.23807	4.3
403.24783	30.9
415.24777	6.4
431.06003	3.7
433.25861	15.7
441.26157	5.6
459.27396	100.0
460.27780	5.4
477.28510	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
53.03927	1.9
56.05026	1.2
57.03419	0.8
58.06593	1.4
60.04507	1.6
66.84116	0.6
69.03425	5.5
69.07053	0.8
70.06588	6.0
71.04976	0.7
71.07355	2.2
71.59464	0.9
72.08137	3.1
73.02905	1.1
73.44268	0.7
74.06079	1.2
78.03448	7.5
80.05003	1.4
81.03416	9.5
84.04488	1.6
84.08125	4.7
85.02893	5.5
86.06039	1.1
86.09700	4.8
87.14295	0.6
88.03960	1.3
91.05470	6.1
93.07033	1.8
94.06535	0.9
94.40337	0.6
95.04953	7.9
96.04476	5.1
97.02869	2.7
99.04434	2.7
101.07146	0.7
102.05515	2.1
103.05477	1.4
106.02909	40.7
107.03244	0.8
107.04920	3.1
109.02866	4.8
110.06092	0.7
110.07120	1.3
116.07104	0.9
119.04932	20.4
120.08105	1.4
121.06499	11.3
122.05987	0.8
123.04417	27.9
123.05315	1.4
124.03942	58.8
127.03913	3.2
129.10231	2.3
130.06474	0.7
132.08119	0.7
136.07524	1.3
137.05974	0.8
138.05492	21.8
138.09030	0.6
147.04391	18.7
147.05508	1.3
148.04727	0.8
149.08353	17.3
162.09041	0.9
163.09874	1.8
164.10704	100.0
165.05461	16.6
165.11028	1.5
192.10265	1.7
192.22101	0.5
210.11230	29.2
216.97624	0.7
247.12743	0.7
250.07069	5.2
268.08121	21.3
281.14432	0.6
286.29218	0.7
296.62897	0.6
315.05057	2.4
404.13391	6.2
418.15051	1.8
425.55383	0.6
431.18106	90.6
432.12946	1.3
432.18365	2.2
477.18665	89.2
478.18784	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	477.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
56.05027	1.3
56.96556	1.5
57.03428	1.6
60.47973	0.8
61.02935	1.4
65.03929	1.5
67.05496	2.5
67.21169	0.8
69.03421	4.9
69.07067	1.0
70.06587	14.2
70.72849	2.7
71.04990	1.6
71.06907	0.8
72.08150	5.6
74.06074	1.2
79.05486	3.1
81.03400	3.3
81.07037	3.2
84.04500	2.6
84.08140	8.7
85.01055	0.9
85.02891	10.2
85.06575	0.8
86.06046	1.9
86.09705	8.2
87.04424	0.8
91.05476	3.9
92.05001	1.5
93.07036	4.1
94.06559	2.3
95.04977	2.2
95.08598	1.9
96.08138	5.1
97.02877	4.0
97.06509	2.3
98.97601	1.0
103.05448	0.9
105.07043	1.2
106.06553	1.2
107.04961	1.1
107.08608	2.5
108.08129	9.9
109.02869	1.3
109.10132	1.5
110.06034	1.0
110.07178	2.4
110.09678	8.7
111.08087	0.9
119.04971	1.0
119.08581	2.1
120.04459	9.8
120.08102	14.1
121.08424	1.6
123.04430	1.3
123.08100	1.5
125.09606	1.3
126.09145	1.5
127.03934	2.2
129.10265	2.8
131.08604	0.9
134.06013	3.1
136.07573	24.5
137.05995	1.3
138.05560	1.8
138.09138	10.3
145.05002	1.2
146.46005	0.9
146.99626	1.2
147.04463	0.9
148.07593	4.6
152.07085	1.0
153.01814	1.1
154.08620	26.3
154.09811	1.8
162.05495	100.0
163.05814	1.5
166.08621	29.2
167.07089	1.0
170.91789	0.9
184.09818	1.1
209.15318	1.5
212.09267	0.9
217.11797	1.5
227.11832	3.9
255.11304	3.3
269.12921	4.2
273.12289	2.2
287.13873	3.3
297.12335	13.4
304.95398	0.8
315.13358	63.2
391.15973	1.2
457.30368	0.9
464.80148	1.0
477.19250	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	476.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73149	1.2
53.03939	1.7
54.82623	1.1
55.05507	9.3
57.03424	2.4
57.07067	2.3
58.04675	1.3
62.06084	38.3
65.03929	1.4
65.88918	1.2
67.05499	25.3
69.07059	8.1
69.34418	12.6
79.05486	19.6
81.03349	1.2
81.07052	19.3
83.08615	3.2
91.05463	10.5
93.07038	20.1
95.04971	2.3
95.08603	18.8
97.06512	1.9
97.10132	1.9
98.98464	9.6
105.07031	6.2
107.08585	10.2
109.10138	8.2
117.06985	2.0
119.08569	6.9
121.06508	1.8
121.10132	7.8
123.11731	2.0
126.78513	1.1
131.08534	4.2
133.10118	4.0
135.11705	4.7
145.10139	2.8
147.11690	3.0
149.13280	2.1
155.01059	4.2
159.11711	2.9
161.13269	2.5
163.14774	2.0
173.02097	2.6
193.51405	1.3
198.05232	2.2
216.06241	4.2
243.20937	1.8
261.21991	6.2
304.26227	9.5
317.24765	1.4
335.25772	100.0
336.25977	2.1
403.71643	1.4
451.88214	1.4
458.26132	2.5
476.27612	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	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54291	0.7
53.03917	1.5
55.05508	8.6
57.03436	6.9
62.06089	1.0
65.03930	1.8
67.05500	29.9
69.07062	7.6
70.00581	2.9
71.04977	0.9
79.05056	1.1
79.05488	17.8
81.07050	27.2
83.08614	3.2
91.05471	6.9
93.07032	17.8
95.04961	1.7
95.08601	22.9
97.06551	1.0
99.08077	0.6
105.07023	3.4
107.08583	8.9
109.10146	6.6
117.07008	1.0
119.08563	2.9
121.10139	5.9
123.11684	1.7
131.08539	3.3
133.10135	1.8
135.11711	2.9
145.10097	1.7
147.11649	1.1
149.13228	0.8
159.11710	0.9
161.13292	1.1
175.14833	0.8
187.14520	0.6
209.62213	0.7
216.06352	0.8
221.93060	0.6
267.10535	0.8
304.26389	2.0
335.25772	100.0
336.26202	1.2
432.35095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01858	2.7
55.05489	3.2
56.05022	1.3
57.03431	3.0
60.04530	1.7
61.02935	1.5
62.06067	3.9
67.05492	3.4
69.03429	12.6
69.07053	2.8
69.71995	5.8
70.06603	8.0
71.04978	3.6
71.08627	10.1
72.08146	4.3
73.02911	2.6
79.05478	4.1
81.03416	8.7
81.07047	6.8
83.08586	1.8
84.04533	1.3
84.08130	5.4
85.02421	0.9
85.02895	25.1
85.06536	1.2
86.06062	43.8
86.09700	4.5
88.03973	1.3
91.05475	3.3
93.07037	4.1
95.04951	3.5
95.08591	3.0
96.08130	1.9
97.02894	7.1
97.06524	2.1
98.09690	4.2
98.21449	2.3
99.04441	8.1
99.08085	6.8
100.04771	1.9
101.02377	5.4
105.07015	3.7
107.08561	4.6
108.08068	2.3
109.02854	6.1
109.06529	10.3
109.10160	1.7
110.07105	1.4
111.08061	7.5
114.09126	1.3
116.10731	10.0
117.07056	1.7
119.08595	3.1
120.08118	2.0
121.06498	3.2
121.10125	2.3
125.09656	1.3
127.03906	9.9
129.10185	1.5
131.08647	1.1
133.10153	3.8
134.09644	2.6
135.08049	1.2
136.07573	3.6
137.05942	6.0
137.09622	1.6
142.08620	2.1
142.12271	6.1
143.10678	11.9
145.04996	2.2
147.11656	1.6
152.10677	2.7
165.09105	1.5
170.11705	11.9
175.11259	1.8
180.10231	3.2
193.12312	1.4
198.11244	100.0
199.11465	1.7
214.18082	2.4
216.12291	4.7
227.16348	2.2
228.16788	2.1
243.12340	1.2
245.27394	1.1
249.24585	1.1
250.09259	3.0
272.06250	2.7
287.05460	2.6
288.05838	1.6
289.06003	2.8
290.06262	2.1
296.18549	11.1
299.11273	1.5
303.04944	2.3
314.19458	1.3
318.15411	1.3
324.14413	5.3
342.15475	3.2
360.16507	31.2
378.17557	49.6
379.17758	1.2
440.23416	2.0
458.23947	18.3
476.24789	16.3
476.32672	2.9
477.15231	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24627	1.0
55.01864	2.7
55.05512	7.3
55.21594	1.1
56.05023	1.9
56.96548	2.3
57.03426	1.3
57.07059	1.6
60.04516	1.5
61.02917	2.6
62.06073	3.1
67.05481	3.9
69.03418	8.2
69.07057	1.9
70.06594	6.2
71.04983	2.0
71.08627	12.0
71.60088	1.3
72.08147	3.7
72.93782	2.1
73.02908	3.6
74.06071	1.7
79.05502	5.7
81.03404	5.9
81.07059	9.9
82.06575	2.7
83.04964	1.8
83.08597	4.8
84.04499	2.3
84.08136	2.8
85.02902	10.2
85.06504	1.2
86.06057	23.2
86.09690	3.3
87.04431	2.5
87.08089	1.5
88.07629	1.3
90.94828	1.4
91.05488	6.3
93.07026	4.7
94.06563	1.6
95.04945	2.7
95.08591	4.2
97.02876	6.8
97.10170	2.0
98.09666	3.4
98.97556	3.5
99.04439	3.0
99.08081	12.9
100.07572	2.0
100.11234	4.4
101.02382	4.1
102.05519	1.3
105.07028	3.3
107.08582	4.7
108.08096	1.9
109.02845	6.1
109.06505	10.0
109.10175	2.9
110.07127	1.4
111.08076	7.1
116.10734	13.1
116.98597	2.6
117.07065	1.9
119.08561	2.8
120.08125	2.1
121.10120	1.7
123.08055	1.7
124.07580	2.2
127.03911	6.7
128.10667	1.4
133.10138	8.5
134.09615	2.8
134.99655	1.4
136.07565	1.5
137.05956	5.5
137.09578	6.2
142.08603	3.2
142.12288	2.7
143.10663	4.7
145.04968	1.5
152.07066	1.5
152.10715	3.8
154.08641	5.2
157.09996	1.5
158.97450	1.6
162.96916	1.8
165.09088	2.2
170.11748	7.3
176.98332	1.4
180.10172	2.8
182.15302	2.7
184.13333	1.2
191.14275	4.0
196.77098	1.3
198.11238	100.0
199.11453	1.8
210.14836	2.3
214.18005	1.9
216.12288	73.8
216.97845	1.4
219.18710	1.2
229.08833	2.9
234.98938	2.4
245.08388	3.3
247.09895	2.7
261.13339	3.6
271.06027	1.7
272.06317	3.3
273.04016	1.5
274.04404	1.5
287.05411	8.9
289.11020	2.4
296.18533	4.3
307.12057	1.6
314.19580	33.1
314.27222	1.3
360.16440	11.9
361.02164	4.1
378.17624	7.8
379.03464	1.9
391.14166	5.4
409.15317	4.4
422.29114	1.6
426.31955	2.6
451.16376	4.5
458.25647	1.7
475.82501	10.6
476.13080	3.6
476.25839	4.6
476.32535	4.5
476.81784	2.3
503.12918	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	476.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38237	1.0
53.03945	1.7
55.01865	2.9
55.05518	5.7
56.05037	1.3
56.96569	1.1
57.03429	2.9
59.04995	1.0
60.04517	1.9
61.02916	2.6
62.06085	3.4
67.05493	6.3
69.03423	14.0
69.07050	4.6
70.05697	5.0
70.06593	6.0
70.54917	0.8
71.05016	1.4
71.08631	13.4
72.08157	3.4
73.02911	3.0
74.06087	1.2
76.02240	0.9
79.05484	6.4
81.03417	7.8
81.07048	10.3
83.04972	1.6
83.08618	2.3
84.04516	2.7
84.08139	3.9
85.02898	14.6
86.06060	26.9
86.09715	1.7
91.05489	5.4
92.05805	1.0
93.07030	6.5
94.06034	1.0
94.06586	1.0
95.04965	4.8
95.08602	6.4
96.08125	2.7
97.02879	9.4
97.06540	3.1
97.10181	2.0
98.09695	2.3
98.20810	1.3
99.04460	3.3
99.08086	19.6
100.54298	0.9
101.02356	5.4
103.05451	1.4
105.07040	4.0
106.07351	1.0
107.04959	2.3
107.08598	3.3
108.08116	1.9
109.02879	3.8
109.06500	8.8
109.10155	2.1
111.07393	1.1
111.08048	5.0
116.10719	12.0
117.07034	1.4
119.08571	4.6
120.08118	2.2
121.06502	2.1
121.10172	1.7
122.09684	1.2
123.08044	1.8
123.11710	1.2
124.11289	1.1
125.09614	2.1
127.03905	8.4
130.05013	1.7
130.55470	0.9
131.08595	2.0
133.06499	2.0
133.10161	2.2
134.09660	2.5
135.08119	1.1
135.11655	1.4
136.07585	3.3
137.05977	5.0
137.09645	1.9
142.08670	1.6
142.12250	1.2
143.08658	1.1
143.10674	3.3
145.02901	1.0
145.04971	2.9
145.06465	1.0
145.10167	2.2
147.04422	1.3
147.11720	4.4
149.09584	1.1
151.11160	1.0
152.10770	3.4
154.08722	1.0
155.07082	1.4
157.10178	1.5
159.11739	1.3
161.06052	1.5
163.03882	1.1
165.09134	6.6
166.09505	2.4
169.10106	1.1
170.11749	7.8
173.13217	1.1
180.10242	3.3
189.12764	1.8
193.12300	3.4
198.11243	100.0
198.84512	1.1
199.11641	2.0
215.06972	1.3
216.12297	71.3
228.15944	1.1
243.12254	1.3
259.09799	1.4
261.13309	5.5
261.21707	0.9
296.18997	2.9
314.20020	5.3
348.26175	1.4
358.19394	2.2
359.07965	1.1
360.16486	23.1
366.21677	1.3
367.22678	1.5
378.17612	18.3
384.22641	3.4
385.23926	3.0
402.23651	1.7
426.32144	1.9
427.36752	1.1
458.24829	3.3
458.34885	1.6
459.27432	1.9
476.14954	1.9
476.22202	4.4
476.24530	4.6
476.31210	51.2
477.17325	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	476.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
53.74668	0.9
55.01868	4.1
55.05502	6.8
56.05859	1.2
56.96571	1.7
57.03439	2.4
59.05004	1.1
60.04537	2.1
61.02927	2.2
62.06091	2.9
67.05501	6.8
69.03424	14.3
69.07072	3.8
69.97280	2.4
69.97677	2.1
70.06583	6.8
71.04996	2.6
71.08628	12.3
72.08160	2.6
73.02929	3.2
79.05477	8.3
81.03420	7.5
81.07049	10.7
82.07410	0.9
83.04980	2.0
83.08636	3.4
84.04502	1.5
84.08136	3.9
85.02907	16.8
85.06541	1.0
86.03215	1.0
86.06067	29.9
86.09707	2.8
87.04482	1.7
87.08114	2.1
88.07590	1.2
91.03948	1.3
91.05480	6.7
93.07035	6.2
94.06554	1.3
95.04980	4.5
95.08595	5.1
96.08157	1.9
97.02884	10.7
97.06546	4.3
97.10172	2.9
98.09696	2.6
99.04482	3.6
99.08090	18.6
101.02367	5.1
105.07045	3.7
107.04919	2.0
107.08617	4.1
108.08128	2.6
108.08846	1.0
109.02881	6.0
109.06506	10.0
109.10177	3.6
110.03277	1.3
110.07175	1.4
110.09725	0.9
110.10529	1.1
111.04445	1.1
111.08063	7.4
116.10730	13.0
116.11490	1.4
117.07053	1.9
119.08575	6.6
120.08157	2.3
121.02905	1.4
121.06520	3.1
121.10160	4.1
122.10575	1.1
123.08099	1.8
123.11728	1.4
124.11207	1.2
125.06049	1.1
125.09679	2.3
127.03901	9.7
129.07079	1.1
129.10292	1.5
130.08693	1.5
131.08583	2.6
132.08969	1.2
133.06604	1.2
133.10164	2.9
133.36029	0.9
134.09680	3.2
135.08086	1.6
135.11722	1.2
136.07619	2.0
137.05986	6.0
137.09615	2.5
139.07568	1.2
142.08598	1.3
142.12285	3.1
143.10683	3.6
145.04997	3.6
145.06499	1.3
145.10167	2.3
147.11705	5.4
151.07603	1.5
152.10748	2.4
153.01921	1.0
154.08643	1.3
156.05586	1.1
159.11659	1.4
161.05986	1.3
163.11221	1.4
165.09117	6.1
166.09549	2.1
170.11813	7.5
173.13344	1.2
177.05606	1.5
180.10263	2.4
188.61073	1.0
189.11197	1.3
193.12335	1.4
198.11250	100.0
199.11652	2.3
212.71301	1.0
216.12302	66.5
217.12560	1.5
243.12256	2.2
259.09534	1.0
261.13483	4.1
273.14963	1.4
296.19028	3.4
313.07156	1.1
314.20261	5.1
348.26514	1.5
358.19336	1.8
360.16522	21.6
367.22766	1.4
378.17599	19.1
378.22354	1.0
382.18607	1.1
384.22519	3.3
385.23804	2.9
426.31967	1.5
458.24744	3.9
458.34851	1.2
459.27823	1.9
476.13080	1.4
476.22537	4.4
476.24487	5.5
476.31161	54.8
477.17233	5.9
493.80453	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	476.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.5
53.03924	1.5
55.01871	0.6
55.05490	0.5
57.03411	1.2
60.04520	0.4
61.02902	1.6
63.02365	0.5
69.03422	4.7
69.07056	1.0
69.34843	1.0
69.35255	3.2
70.06584	2.9
71.04961	0.6
72.08125	1.1
73.02901	0.9
77.17257	0.4
80.81641	0.4
81.03403	2.2
81.07027	1.2
83.04953	0.9
84.04465	0.5
84.08129	2.1
85.02416	0.7
85.02896	9.1
86.06051	0.9
86.09688	3.6
87.00835	0.4
87.04443	0.7
88.03992	0.5
89.03914	4.3
91.05466	4.5
93.07029	6.8
95.04948	2.2
95.08586	0.8
96.05177	0.5
97.02885	3.3
98.20739	0.7
99.04450	2.0
103.05471	4.2
105.04525	0.4
105.06987	0.9
106.37354	0.4
107.08546	0.8
109.02838	0.8
110.07142	1.9
116.10706	0.6
117.03366	17.3
117.92677	0.4
119.04898	0.8
120.08086	0.7
121.06492	37.7
121.10137	0.5
122.06846	0.5
127.03896	2.4
129.10193	1.1
131.04962	0.4
133.10150	0.6
134.03600	0.8
135.04408	1.1
136.07524	0.7
142.96243	0.4
145.02831	51.7
146.03178	0.7
147.11534	0.5
149.05963	5.2
151.07521	1.3
162.03157	0.6
163.03893	1.2
163.07487	0.8
164.07030	1.0
177.05450	100.0
178.05750	1.0
186.05531	1.1
191.14389	0.5
192.14552	0.6
194.08180	0.8
209.15335	1.6
210.15778	2.1
227.16541	0.5
228.16725	1.2
252.65262	0.5
314.13824	84.0
315.14185	2.3
335.09613	0.5
362.21619	1.0
476.20096	0.5
476.32889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1911
Annotation	Dauricoside
Peak:m/z	Relative Intensity
53.03929	0.9
55.05498	1.5
56.05016	1.1
57.03428	1.1
57.16634	0.6
61.02913	1.6
67.05489	1.5
69.03415	4.8
69.07066	1.4
70.06593	6.8
70.57076	2.0
70.57432	0.9
71.04987	1.8
72.08127	2.0
73.02908	1.0
74.06078	0.7
76.25432	0.6
79.05486	1.6
81.03392	2.0
81.07059	1.1
83.04990	1.2
83.25455	0.7
84.04455	1.2
84.08121	3.2
85.02895	11.2
86.06050	2.1
86.09707	6.4
88.03986	0.8
89.03892	4.6
91.05468	5.2
93.07035	7.0
95.04942	2.8
95.08591	2.5
96.08099	1.1
97.02849	3.7
98.09677	0.9
99.04437	3.1
103.05463	4.8
105.01852	1.0
105.06982	1.7
107.08575	1.7
109.02832	1.7
113.05992	5.6
116.10727	1.5
117.02608	1.1
117.03380	17.0
119.08614	4.4
120.08105	1.5
121.06493	36.6
121.73708	0.6
123.08044	1.1
127.03882	2.8
129.10229	1.2
131.08565	0.7
133.10057	0.7
134.03578	0.9
135.04434	1.9
136.07527	1.4
136.22252	0.7
137.06047	0.7
140.06987	0.9
141.10179	0.8
142.08594	0.8
145.02829	48.7
147.04427	1.2
147.11674	1.8
149.05980	5.7
151.07472	0.9
156.10136	0.9
163.07509	0.9
168.06512	1.0
177.05453	100.0
178.05714	1.1
182.08116	0.8
193.12230	1.4
201.05441	1.0
201.12329	1.9
202.12601	1.2
210.15771	0.7
214.18022	1.1
226.14282	1.2
249.35771	0.7
287.05536	1.5
305.31384	0.7
310.02042	0.7
314.13831	82.6
315.14102	1.6
362.21759	4.4
440.30389	0.8
476.15222	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	475.3779
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
53.03953	2.5
53.69745	2.6
54.52305	2.3
55.01868	5.6
55.05498	17.7
57.03425	6.1
57.07053	5.8
67.05492	25.5
69.03419	5.6
69.07062	26.9
71.04990	3.0
71.43218	6.4
79.05483	26.2
81.03394	9.4
81.07039	39.4
83.04974	9.0
83.08615	14.4
91.05476	25.1
93.07030	47.1
95.04961	11.3
95.08601	49.3
97.06529	13.6
97.10150	9.9
104.74365	2.6
105.07017	42.6
107.04934	3.3
107.08591	55.8
109.06499	5.9
109.10140	34.6
111.08069	6.9
117.07011	8.7
119.08569	49.3
121.06539	3.8
121.10128	47.0
123.08072	12.4
123.11668	14.1
125.09648	6.6
128.06206	2.8
129.06999	5.3
131.08565	11.0
133.10114	37.0
135.11664	40.8
137.09602	6.5
137.13231	5.0
139.11191	7.4
143.08537	10.0
145.06538	2.9
145.10101	25.8
147.08122	3.7
147.11667	47.4
149.09601	3.7
149.13243	14.3
151.11183	6.1
151.14824	2.9
153.12764	7.5
153.69711	2.8
157.10130	11.7
159.11668	24.5
161.09662	4.4
161.13246	17.4
163.11165	8.8
163.14801	8.2
165.12750	28.7
171.11644	12.6
173.09682	3.4
173.13260	9.5
175.14752	13.3
177.16391	4.8
181.12239	3.0
183.11642	4.1
185.13222	12.8
187.14783	15.4
189.12730	4.9
189.16284	4.9
191.17949	10.3
193.15858	8.6
197.13248	3.0
199.14851	3.6
201.16353	27.8
203.17921	44.6
213.16400	10.0
215.17964	7.5
227.12639	2.7
227.17917	12.4
229.19414	5.3
231.17462	11.5
233.18927	3.4
241.19569	3.1
249.18512	53.1
255.21086	5.5
259.20453	5.5
281.19043	2.8
281.22574	3.8
283.24182	7.2
288.80994	3.5
383.22211	6.8
421.34543	9.5
439.35669	100.0
440.36050	5.1
457.36908	15.9
475.26807	12.4
475.32587	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	475.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01866	4.5
55.05503	33.3
57.03418	3.3
57.07064	6.8
57.15214	2.1
58.48385	1.9
59.40081	1.9
61.90971	2.1
65.03916	4.3
67.05498	53.1
67.86965	2.0
69.03427	4.4
69.07061	28.7
71.04976	4.4
74.41913	1.9
79.05482	53.1
80.05772	1.9
80.79702	1.8
81.03409	26.6
81.07047	72.7
83.04958	9.7
83.08611	31.1
85.06541	5.8
91.05457	43.5
93.07030	78.0
95.04951	18.4
95.08589	58.9
95.09153	3.6
97.02906	2.4
97.06495	10.7
97.10162	8.5
99.08093	3.1
103.05474	3.3
105.07012	51.4
105.07674	4.1
107.04932	8.1
107.08572	59.3
109.02898	2.4
109.06494	13.0
109.10149	34.5
110.10483	2.0
111.04430	2.2
111.08090	6.9
117.07005	14.3
119.08565	56.9
120.04189	2.3
121.06518	7.1
121.10117	45.3
123.08054	3.9
123.11674	12.8
125.09611	7.6
128.06227	3.1
129.06937	11.3
130.07800	2.6
131.04947	3.0
131.08543	16.3
133.06480	5.1
133.10117	43.0
135.08058	6.6
135.11681	38.8
137.09595	3.7
137.13310	2.2
139.11198	3.5
143.08530	11.2
144.09320	2.6
145.06485	2.5
145.10115	27.6
145.48579	2.2
147.08044	3.6
147.11661	44.8
149.09662	2.8
149.13220	23.0
151.11166	3.9
153.09070	2.5
153.12737	9.2
155.08510	3.7
157.10075	11.6
159.11665	28.5
161.05920	2.8
161.09615	6.4
161.13237	15.7
163.11160	9.6
163.14899	5.0
165.12727	21.4
167.14343	3.4
170.10875	2.2
171.11674	16.9
173.13237	9.7
175.11166	7.9
175.14795	13.1
177.16383	5.9
181.12239	4.8
183.37025	2.2
185.13234	8.2
187.14775	15.2
189.11168	3.4
189.12674	2.5
189.16380	4.7
191.17867	5.4
193.12238	9.6
193.15889	6.7
195.13829	4.6
199.14856	3.8
201.16393	24.2
203.14336	3.6
203.17926	33.0
207.13776	6.3
211.15007	2.0
211.16837	4.3
213.16342	13.2
215.17953	6.5
221.15277	3.6
227.12775	11.7
227.17874	13.0
229.19467	3.8
229.75203	2.7
231.13846	2.3
231.17409	16.7
241.19507	2.4
245.19035	3.2
246.09393	2.4
249.18523	12.9
253.19565	2.3
255.20967	3.8
267.19446	10.2
281.17401	2.5
283.24213	8.0
295.22632	6.4
303.15866	5.0
335.26221	2.6
383.22165	9.0
401.23123	7.1
403.33337	3.0
421.34549	3.8
439.35632	100.0
440.36203	4.2
457.25705	3.6
457.36783	13.8
457.60162	2.2
475.25937	50.0
475.31863	19.2
476.26907	8.1
476.32904	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	475.3052
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
52.47157	2.4
55.05504	9.6
57.03427	4.7
57.09059	2.9
64.02415	2.7
67.05502	14.4
69.07069	4.2
76.85348	2.9
79.05482	10.8
81.03407	5.9
81.07068	13.9
83.04962	3.8
85.02907	2.7
87.04426	3.6
89.03902	7.6
91.05473	8.7
93.07031	9.2
95.04943	3.0
95.08598	10.6
97.10151	3.7
98.98450	8.0
105.07009	6.5
107.08579	5.9
109.10148	2.8
117.03362	19.0
121.06487	11.3
131.08516	4.9
133.10143	3.9
136.99994	6.3
145.02837	46.3
149.05986	7.9
155.01085	3.9
159.11624	3.7
163.11224	3.5
177.05466	100.0
180.43851	2.7
186.05458	3.8
339.28925	4.2
475.26755	7.7
475.33371	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	475.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01866	3.9
55.05503	14.9
56.96556	2.0
57.03184	2.0
57.03436	19.9
57.07068	48.1
61.02920	47.4
67.05497	37.9
69.03418	28.2
69.07066	19.6
71.01357	3.9
71.04976	5.1
71.08621	30.7
71.60622	2.7
73.02914	25.8
75.04446	2.6
79.05481	22.0
81.03405	26.4
81.07047	40.9
81.53345	1.7
83.01312	2.1
83.04969	6.2
83.08607	20.3
85.02896	55.4
85.06554	1.9
85.10178	17.6
87.04451	3.4
91.03944	36.6
91.05469	15.4
93.07037	19.2
95.04958	7.5
95.08599	45.0
97.02882	42.7
97.06516	2.1
97.10168	8.8
99.04427	9.7
100.43962	1.7
101.02362	11.2
103.03931	5.0
105.07011	12.4
107.04948	4.4
107.08580	9.7
109.02885	11.4
109.06550	4.0
109.10126	18.1
111.04462	3.0
111.11722	3.1
115.03925	4.2
117.05505	3.0
117.07005	4.6
119.08576	5.9
121.06524	3.1
121.10151	5.4
123.11716	8.5
127.03913	18.3
129.05499	4.7
129.06963	2.9
131.08583	5.0
133.10118	4.4
135.11690	4.5
137.13274	2.9
143.08572	1.9
145.04982	8.2
145.10062	2.8
147.11673	7.9
149.13269	4.6
151.14856	2.1
159.06470	3.0
161.13237	2.9
163.11205	3.8
171.11674	3.1
177.12526	1.8
183.06554	4.6
193.12189	4.1
197.21669	1.8
201.07657	3.3
207.13817	5.2
210.98990	1.8
225.05153	1.7
227.12834	5.2
239.23650	22.5
242.60555	1.6
257.24701	2.8
313.27313	100.0
314.27661	3.7
331.92422	2.0
341.26822	4.2
368.76917	1.9
383.22031	4.7
457.31378	6.4
475.26672	6.9
475.32852	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	475.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
54.32268	0.3
55.01871	2.0
55.05508	3.0
57.03431	3.3
57.07055	1.0
59.05000	0.7
61.02924	3.6
67.05211	0.4
67.05505	4.0
69.03425	10.9
69.07066	7.2
69.46359	2.3
69.46778	0.6
70.06571	1.0
71.01334	0.7
71.04986	2.5
72.08137	0.9
73.02905	2.7
79.05490	3.1
81.03406	6.2
81.07053	5.5
82.08141	0.3
83.01329	0.4
83.04964	1.8
83.08607	1.2
84.08139	0.7
85.02899	19.3
85.06543	2.5
86.06043	0.7
86.09676	1.0
87.04460	2.2
89.00823	0.4
91.03949	0.8
91.05470	3.4
93.06522	0.5
93.07040	4.3
95.04964	2.5
95.08597	5.8
96.38130	0.3
97.02281	0.4
97.02885	6.7
97.06532	2.1
97.10172	0.8
98.21485	0.7
99.04443	3.4
101.02366	0.8
103.03903	0.4
103.05467	0.5
105.07021	5.3
106.13355	0.3
107.04928	0.9
107.08585	6.8
109.02874	3.1
109.06499	1.9
109.10157	3.8
110.07269	0.4
111.04450	0.6
111.08044	0.9
115.03886	1.2
115.05466	0.4
117.07006	2.5
119.04961	0.4
119.08576	8.0
119.09422	0.3
120.08107	0.3
121.02831	0.5
121.06499	1.3
121.10130	7.8
122.07248	0.4
123.08056	12.6
123.11688	1.5
125.05952	1.7
125.09578	1.0
127.03906	4.9
128.06227	0.5
129.05548	0.4
129.07011	1.6
130.07742	0.4
131.08553	4.2
133.06499	0.8
133.10120	8.3
135.08064	2.4
135.11688	5.3
136.07616	0.4
136.08839	0.4
137.05968	1.0
137.09615	4.4
139.07520	0.5
139.11192	2.0
142.07736	0.5
143.07014	0.4
143.08553	2.1
144.09361	0.8
145.04942	2.8
145.06497	0.5
145.10114	4.2
147.04366	0.5
147.08026	1.4
147.11670	4.4
148.08920	0.3
149.05888	0.4
149.09607	7.6
149.13249	1.5
151.07553	1.0
151.11179	0.6
151.14815	1.0
153.09007	0.4
155.08485	0.6
156.09328	0.6
157.10121	3.6
158.10878	0.8
159.07932	0.4
159.11670	8.2
161.09601	3.2
161.13257	1.5
163.11186	3.3
165.09125	4.8
166.09314	0.4
166.32706	0.3
167.10648	0.6
171.11679	3.4
173.09596	1.2
173.13240	3.6
175.11224	2.7
175.14792	3.8
177.09036	0.4
177.12733	2.0
179.10704	0.7
179.14227	0.4
183.10155	0.6
185.09703	0.5
185.13174	0.5
187.11096	0.6
187.14745	0.5
189.09059	1.2
189.12749	1.4
189.16443	1.0
191.10612	1.9
191.14299	1.1
193.12300	1.2
199.14780	1.7
201.12712	1.0
203.10649	1.2
203.17885	0.5
205.12233	1.3
207.10138	5.3
207.13788	0.4
208.10931	0.6
209.11757	3.6
213.12714	0.4
213.16325	1.0
217.12271	1.2
217.15927	1.2
219.13780	3.9
221.11714	0.4
222.12479	0.6
225.11217	2.8
227.12767	2.4
231.17415	1.5
234.59654	0.3
235.13252	1.0
235.16963	1.5
237.11284	0.4
241.15807	0.5
253.14388	0.5
253.17894	0.7
259.16907	2.6
277.14923	0.5
277.17957	11.2
295.19012	31.8
296.19205	0.9
313.20062	100.0
314.20465	2.5
321.95041	0.4
355.21445	0.5
359.22467	0.4
383.22092	1.3
401.23358	0.7
421.22086	0.4
450.88870	0.3
457.15231	0.4
457.17908	0.4
457.24527	4.1
475.25867	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	475.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
54.32268	0.3
55.01871	2.0
55.05508	3.0
57.03431	3.3
57.07055	1.0
59.05000	0.7
61.02924	3.6
67.05211	0.4
67.05505	4.0
69.03425	10.9
69.07066	7.2
69.46359	2.3
69.46778	0.6
70.06571	1.0
71.01334	0.7
71.04986	2.5
72.08137	0.9
73.02905	2.7
79.05490	3.1
81.03406	6.2
81.07053	5.5
82.08141	0.3
83.01329	0.4
83.04964	1.8
83.08607	1.2
84.08139	0.7
85.02899	19.3
85.06543	2.5
86.06043	0.7
86.09676	1.0
87.04460	2.2
89.00823	0.4
91.03949	0.8
91.05470	3.4
93.06522	0.5
93.07040	4.3
95.04964	2.5
95.08597	5.8
96.38130	0.3
97.02281	0.4
97.02885	6.7
97.06532	2.1
97.10172	0.8
98.21485	0.7
99.04443	3.4
101.02366	0.8
103.03903	0.4
103.05467	0.5
105.07021	5.3
106.13355	0.3
107.04928	0.9
107.08585	6.8
109.02874	3.1
109.06499	1.9
109.10157	3.8
110.07269	0.4
111.04450	0.6
111.08044	0.9
115.03886	1.2
115.05466	0.4
117.07006	2.5
119.04961	0.4
119.08576	8.0
119.09422	0.3
120.08107	0.3
121.02831	0.5
121.06499	1.3
121.10130	7.8
122.07248	0.4
123.08056	12.6
123.11688	1.5
125.05952	1.7
125.09578	1.0
127.03906	4.9
128.06227	0.5
129.05548	0.4
129.07011	1.6
130.07742	0.4
131.08553	4.2
133.06499	0.8
133.10120	8.3
135.08064	2.4
135.11688	5.3
136.07616	0.4
136.08839	0.4
137.05968	1.0
137.09615	4.4
139.07520	0.5
139.11192	2.0
142.07736	0.5
143.07014	0.4
143.08553	2.1
144.09361	0.8
145.04942	2.8
145.06497	0.5
145.10114	4.2
147.04366	0.5
147.08026	1.4
147.11670	4.4
148.08920	0.3
149.05888	0.4
149.09607	7.6
149.13249	1.5
151.07553	1.0
151.11179	0.6
151.14815	1.0
153.09007	0.4
155.08485	0.6
156.09328	0.6
157.10121	3.6
158.10878	0.8
159.07932	0.4
159.11670	8.2
161.09601	3.2
161.13257	1.5
163.11186	3.3
165.09125	4.8
166.09314	0.4
166.32706	0.3
167.10648	0.6
171.11679	3.4
173.09596	1.2
173.13240	3.6
175.11224	2.7
175.14792	3.8
177.09036	0.4
177.12733	2.0
179.10704	0.7
179.14227	0.4
183.10155	0.6
185.09703	0.5
185.13174	0.5
187.11096	0.6
187.14745	0.5
189.09059	1.2
189.12749	1.4
189.16443	1.0
191.10612	1.9
191.14299	1.1
193.12300	1.2
199.14780	1.7
201.12712	1.0
203.10649	1.2
203.17885	0.5
205.12233	1.3
207.10138	5.3
207.13788	0.4
208.10931	0.6
209.11757	3.6
213.12714	0.4
213.16325	1.0
217.12271	1.2
217.15927	1.2
219.13780	3.9
221.11714	0.4
222.12479	0.6
225.11217	2.8
227.12767	2.4
231.17415	1.5
234.59654	0.3
235.13252	1.0
235.16963	1.5
237.11284	0.4
241.15807	0.5
253.14388	0.5
253.17894	0.7
259.16907	2.6
277.14923	0.5
277.17957	11.2
295.19012	31.8
296.19205	0.9
313.20062	100.0
314.20465	2.5
321.95041	0.4
355.21445	0.5
359.22467	0.4
383.22092	1.3
401.23358	0.7
421.22086	0.4
450.88870	0.3
457.15231	0.4
457.17908	0.4
457.24527	4.1
475.25867	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	475.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.1
55.01866	10.5
55.05504	24.6
56.05022	8.0
56.96592	2.3
57.03436	5.1
57.07067	2.4
60.04515	3.3
61.01140	2.9
61.02921	4.5
63.65252	2.3
67.05499	26.8
69.03423	23.2
69.07060	9.9
69.86314	4.5
69.86718	10.7
70.06586	58.4
71.04974	7.7
72.08148	30.7
73.02903	7.5
74.06077	4.9
79.05479	9.6
81.03415	29.2
81.07036	17.8
83.04970	100.0
83.08655	2.8
84.04504	17.2
84.08138	28.0
85.02898	48.2
85.06522	8.2
86.09698	45.3
87.00827	20.6
88.03979	3.9
91.03912	2.7
91.05476	8.6
93.07040	8.0
93.30690	2.1
95.08601	35.1
97.02889	20.9
97.06518	3.5
99.04441	9.6
101.06013	7.2
101.07142	2.8
102.05539	9.4
104.05324	4.8
105.01855	12.5
105.07024	8.8
107.08596	18.8
109.02870	19.6
109.06481	4.4
109.10146	83.6
110.07135	6.5
111.08050	7.4
115.08709	3.5
116.07076	2.7
117.01845	2.6
119.04906	5.8
119.08559	10.8
120.08103	4.0
121.06489	4.4
121.10126	10.3
123.08089	13.3
123.11673	2.1
125.09626	10.3
127.03908	32.6
129.01840	5.0
129.10216	17.6
130.10570	2.2
133.06485	3.2
133.10130	8.2
135.08052	6.2
135.11664	4.2
136.07544	4.0
137.09622	15.4
142.08624	3.1
142.62410	2.4
143.08463	3.2
145.04936	13.5
145.10114	3.4
147.04425	15.9
149.09596	4.1
149.13222	5.2
150.05861	2.7
153.27806	2.2
159.02881	11.7
161.05931	4.4
161.13264	3.3
162.07671	3.8
163.07466	3.5
163.11192	6.3
163.14796	4.1
173.13228	7.7
177.05310	2.8
177.12743	4.0
179.14284	91.5
187.10764	4.6
187.14340	3.6
191.14246	13.4
193.08516	3.1
193.15883	3.8
197.15317	8.9
203.14360	2.5
209.15347	99.0
213.12456	3.3
215.10257	4.8
215.13963	2.9
227.16399	10.3
231.05057	6.2
233.15253	2.6
261.14499	3.6
409.18378	4.5
413.17590	3.5
415.77502	2.7
431.18805	3.6
455.85834	3.0
475.17490	17.7
476.52939	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	473.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	18.0
57.03431	13.5
57.07073	8.1
57.61777	3.2
64.62897	3.2
65.41535	3.9
67.05502	36.2
69.07055	35.4
69.88561	21.7
71.08629	10.0
76.30298	3.3
76.92167	3.2
79.05497	20.0
81.03441	4.5
81.07052	49.5
81.73566	3.5
83.04980	5.0
83.08611	20.0
85.06512	3.7
89.84054	4.1
91.05462	21.0
93.07021	34.1
95.04938	8.2
95.08595	53.2
97.06523	42.2
97.10158	12.9
98.98460	8.5
103.61322	3.4
105.07000	27.7
107.08599	42.0
109.10162	32.9
111.08090	8.8
111.11697	4.9
117.07015	5.4
119.08584	23.5
119.18726	3.5
121.06482	8.9
121.10136	38.1
123.08100	5.8
123.11716	11.6
125.09596	6.1
129.06992	4.9
131.08577	11.2
133.10132	31.6
135.08080	7.1
135.11705	25.0
136.99992	5.9
137.09697	4.1
139.11247	5.3
142.07811	4.4
145.10049	20.7
147.11682	17.3
148.39536	3.3
149.09531	5.7
149.13261	8.2
154.94122	5.2
155.01065	11.9
155.10670	3.6
157.10091	7.4
159.11722	19.9
161.13271	10.7
163.11139	7.2
163.14816	8.0
171.77260	3.4
172.95226	15.0
173.13252	8.0
175.14865	7.8
177.05530	8.5
182.16035	4.1
184.98663	3.8
185.13268	4.9
187.14838	13.2
189.16324	7.1
190.96304	10.4
191.14331	21.1
191.17952	8.2
201.16399	21.4
203.17908	44.3
209.15419	6.4
213.16464	6.8
215.14217	4.8
215.17841	6.0
227.17831	6.4
247.16902	39.6
265.17944	16.1
279.26721	4.1
283.24271	12.4
289.25034	4.3
304.60019	3.9
307.26361	4.5
337.27420	4.5
338.20752	3.8
343.28403	24.8
381.29865	6.1
399.30945	8.2
411.59683	4.0
419.33160	7.3
437.34131	100.0
455.34985	15.1
473.19516	13.8
473.26279	5.6
473.34464	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	473.2896
Annotation	Macrocarpal A
Peak:m/z	Relative Intensity
67.05502	2.6
67.57901	1.0
69.07085	1.3
71.61279	1.8
79.05497	1.2
81.07060	2.1
89.03915	8.8
91.05476	3.0
93.07058	1.5
114.99854	1.1
117.03379	21.1
134.03632	2.0
145.02835	55.6
145.50830	1.1
149.05963	8.6
177.05466	100.0
186.05518	3.8
282.27966	1.2
323.78204	1.1
328.50607	1.2
455.27652	3.3
464.08795	1.3
473.34604	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	473.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91339	2.4
53.03945	6.4
55.05508	39.0
56.96567	3.7
57.03434	41.7
57.07066	12.5
57.62949	2.8
61.02924	86.7
67.05502	59.7
69.03426	33.2
69.07066	48.7
69.86023	12.4
69.86430	4.9
71.01334	4.3
71.04985	8.3
71.08625	7.5
73.02913	37.2
73.61848	3.1
79.05481	32.8
81.03423	28.5
81.07054	63.7
83.04992	4.0
83.08616	34.6
85.02904	71.7
88.07662	4.2
91.03959	54.9
91.05477	14.5
93.07038	38.2
95.04963	6.1
95.08604	48.7
97.02890	56.5
97.06541	9.5
97.10157	19.2
98.21526	3.8
98.85604	2.8
98.98450	23.6
99.04443	8.3
99.08111	5.6
101.02374	13.0
103.03935	10.9
105.07019	16.1
107.04935	3.6
107.08560	22.9
109.02882	7.9
109.10138	24.1
111.08076	6.2
111.11730	8.4
119.08570	7.2
121.10126	32.2
123.11733	15.8
127.03909	26.4
129.05548	4.3
133.10138	4.9
135.11667	24.4
136.99979	15.6
137.13254	7.0
145.04904	7.5
145.10141	6.5
147.11667	5.7
149.13248	11.5
155.01004	21.5
163.14842	6.1
171.11830	3.4
177.05473	4.6
178.25883	3.3
183.06503	6.9
189.16315	3.3
201.07591	4.5
211.03593	5.1
216.20074	3.0
216.94527	3.1
219.21109	13.9
237.22078	28.9
285.10071	4.7
311.25787	100.0
337.27493	9.3
409.34161	3.1
455.30090	5.0
473.25870	7.8
473.31226	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	473.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75297	2.8
53.03938	11.5
55.01871	8.9
55.05510	28.1
57.03450	5.7
59.52609	2.8
61.08990	3.0
65.03941	5.3
67.05498	63.5
67.05866	3.1
67.46894	2.6
69.03425	7.6
69.07062	20.7
70.06583	6.7
71.04990	8.8
71.17980	7.2
72.08150	3.0
74.22413	2.5
77.48647	2.4
79.05053	4.9
79.05490	71.9
81.03413	100.0
81.07053	53.1
83.04972	11.9
83.08620	21.1
84.08167	3.6
90.67899	2.4
91.05473	74.5
91.06007	5.6
92.05795	2.4
93.07040	63.0
94.12302	2.5
95.04970	47.1
95.08595	34.8
97.02863	6.8
97.06544	7.8
97.10168	3.6
103.05435	2.7
105.07023	51.6
105.07671	4.4
107.04955	10.0
107.08589	24.4
109.06509	9.0
109.10140	17.4
111.04391	3.6
111.08085	7.4
115.05457	4.4
116.98603	3.1
117.07026	11.7
118.97690	2.7
119.08562	38.0
121.06513	7.8
121.10139	13.9
123.08068	6.9
123.11720	3.2
125.09637	6.3
128.06207	4.1
129.06989	20.1
131.08575	18.1
133.06540	5.8
133.10123	15.8
135.08098	4.7
135.11705	4.3
137.09560	6.3
141.03102	2.6
143.08548	12.8
145.10133	11.7
147.08025	6.4
147.11679	31.6
149.09634	7.2
155.08482	2.8
157.06418	3.2
157.10139	12.4
159.11641	4.5
160.59860	2.7
161.06010	4.0
161.13220	13.4
163.11198	4.6
165.09106	17.1
165.12712	4.8
171.08115	3.4
171.11705	20.8
173.13240	3.0
175.11176	8.8
189.12776	10.1
193.12221	25.9
203.10638	3.4
207.13759	23.5
249.14943	4.7
254.88777	3.0
381.24277	5.4
399.25485	4.8
473.29022	65.5
491.98499	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	473.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
53.03943	9.6
55.01860	6.0
55.05507	20.0
56.56855	1.2
57.03421	4.6
57.07071	2.1
65.03929	3.7
67.05502	51.6
69.03424	4.3
69.07067	13.0
69.09653	1.1
69.81221	6.4
70.06585	1.4
71.04988	3.5
75.53180	1.3
79.05490	60.3
81.03414	100.0
81.07051	47.4
83.04983	11.3
83.08609	19.4
85.02905	1.9
85.06541	3.6
86.28920	1.2
91.05477	68.3
93.07039	45.0
95.04966	43.9
95.05554	2.8
95.08601	25.0
95.09159	2.3
97.02887	2.9
97.06537	4.4
97.10172	6.1
98.20862	1.8
99.08101	1.7
103.05475	1.2
104.15160	1.2
105.04524	1.4
105.07027	45.5
107.04951	10.1
107.08588	18.3
109.06508	7.5
109.10156	9.1
111.04393	1.5
111.08061	7.6
115.05485	4.2
117.06994	11.9
119.04955	1.4
119.08582	29.4
121.06502	5.3
121.10134	9.0
123.08005	6.5
123.11713	2.5
125.09635	2.8
128.06201	3.9
129.07001	21.9
131.08562	11.6
133.06470	5.8
133.10106	10.1
135.08020	1.9
135.11707	1.9
137.09616	2.6
141.07002	2.8
142.07755	3.5
143.08569	6.9
145.06534	2.7
145.10118	10.0
147.08043	4.8
147.11688	30.7
149.09633	4.5
155.08551	2.7
157.06477	1.9
157.10144	8.6
159.08038	3.0
159.11734	2.4
161.09634	4.6
161.13261	8.3
163.11139	3.2
165.09128	2.2
165.12769	1.5
169.10060	2.1
171.08047	2.2
171.11697	21.3
175.11205	9.1
181.10092	1.9
185.09698	1.8
185.13286	1.9
189.12688	7.5
191.39676	1.2
193.12228	25.7
195.11562	1.4
207.13806	18.7
213.12747	1.6
225.14888	3.4
231.13811	2.0
243.10876	1.4
249.14883	4.4
363.23346	2.9
381.24429	3.0
391.22018	1.2
399.25235	2.9
455.28018	3.1
473.14795	2.6
473.29028	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01867	2.4
55.05507	12.7
57.03423	5.6
58.22231	1.9
59.05001	2.1
61.02920	2.2
61.15795	2.1
66.14483	1.9
67.05505	8.3
69.03429	19.4
69.07060	5.3
70.06595	19.4
71.04948	5.7
72.08154	22.6
79.05479	9.1
81.03418	12.3
81.07040	7.8
83.04982	4.7
84.04508	4.8
84.08141	5.3
85.02902	20.5
86.06065	3.8
86.09700	46.4
87.00832	5.2
87.32388	1.7
91.05476	12.7
93.07034	31.5
95.04959	6.3
95.08612	13.1
97.02887	8.2
97.06538	4.4
99.04441	5.6
99.08128	1.8
105.01850	5.4
105.07028	17.6
107.04967	2.6
107.08591	40.3
109.02871	7.3
109.06501	8.0
109.10162	6.9
111.08131	3.0
117.07009	3.1
119.08570	25.9
120.08164	3.5
121.06495	17.8
121.10121	34.1
123.08065	33.1
123.11687	2.2
127.03914	11.9
129.10158	1.9
130.07817	2.4
131.08524	4.7
133.06517	2.7
133.10127	8.6
135.08041	34.5
135.11687	22.4
137.09613	19.7
138.44025	2.3
145.04912	2.5
145.10123	8.7
147.08051	14.0
147.11665	7.9
149.09657	9.8
151.07549	8.3
151.11200	4.6
159.02888	4.4
159.11711	2.7
161.13287	8.7
162.07648	5.6
163.03903	2.8
163.11168	26.8
165.09103	46.7
165.12730	2.8
167.10674	7.3
171.11630	4.1
171.14931	6.1
174.10326	2.5
177.12766	10.5
179.10695	9.5
181.12202	45.8
189.12750	17.5
195.13742	2.3
199.14413	5.1
199.18112	5.7
207.13792	48.9
213.12286	2.6
225.14839	100.0
227.17734	2.4
246.15077	3.9
258.06110	2.2
271.36328	2.3
275.16031	10.7
303.56061	1.9
315.50690	1.9
359.22375	2.7
455.13431	3.2
455.19302	2.9
473.14053	20.5
473.20059	25.5
473.30658	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	473.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01852	0.8
55.05488	1.5
57.03414	1.0
57.07050	0.6
58.10695	0.5
59.45985	0.5
63.24462	0.7
67.05494	1.4
69.03427	2.8
69.07053	1.3
70.06584	6.0
70.86250	1.6
71.04975	1.0
72.08148	3.8
74.85149	0.6
79.05483	1.1
81.03388	2.2
81.07027	1.7
84.04478	1.9
84.08142	3.0
85.02895	3.1
86.06066	0.9
86.09697	9.0
87.00800	0.7
91.05463	2.4
93.07021	2.9
95.04936	0.7
95.08578	2.7
97.02904	2.0
97.06479	0.7
99.04447	1.7
100.14587	0.6
102.05504	0.9
105.06991	2.3
107.04953	0.8
107.08597	2.9
109.02847	1.6
109.06522	0.9
109.10143	2.1
110.07123	0.8
114.10220	0.5
119.04959	0.9
119.08558	3.2
120.08102	1.7
121.06480	2.2
121.10121	2.2
123.08049	2.3
127.03904	3.4
129.07031	0.7
129.10228	1.6
132.10152	0.6
133.10109	1.9
135.08049	0.9
135.11700	1.3
136.07576	1.8
137.09618	1.1
145.04916	0.7
145.10115	1.3
147.04367	0.6
147.08110	0.6
147.11679	3.1
149.09605	4.0
151.07518	0.7
159.02834	1.1
161.13232	3.1
163.03903	0.6
163.11079	1.1
165.09109	2.0
165.12737	3.2
171.11620	0.8
174.96838	1.5
178.59851	0.5
179.14250	0.9
189.12700	4.1
201.12181	0.7
205.12097	0.8
207.13818	9.6
209.10167	0.9
225.14857	3.4
225.54881	0.6
243.13254	1.2
251.11266	0.7
311.14276	0.7
353.15295	1.5
383.16733	1.4
391.37357	0.6
411.20001	4.9
413.17783	5.4
429.21143	1.3
455.19168	0.9
473.19864	100.0
474.20361	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	473.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01889	2.8
55.05510	11.3
56.96553	2.3
57.03435	6.0
61.02918	5.0
67.05502	6.0
68.99764	2.5
69.03422	25.9
69.07068	5.4
70.06585	9.7
70.32674	4.9
71.04987	2.7
72.08141	2.9
72.33852	2.2
72.71973	1.9
79.05496	14.1
80.49008	2.1
81.03424	11.8
81.07041	10.9
83.04979	5.2
84.04536	2.1
84.08136	4.7
85.02899	23.1
86.09686	13.2
87.00812	10.4
89.47446	1.9
91.05468	12.4
93.07037	45.6
95.04945	5.8
95.08612	14.3
97.02881	6.9
97.06535	4.2
99.04456	9.2
105.01839	6.2
105.07031	18.7
107.04952	5.0
107.08588	50.6
109.02896	9.7
109.06506	10.7
109.10147	7.8
110.94132	1.9
111.04414	2.8
117.07047	2.8
119.04955	2.3
119.08569	26.9
121.06487	17.5
121.10134	49.0
123.08057	38.1
127.03902	12.0
129.10246	2.3
131.08635	2.9
133.10135	8.4
135.08046	44.0
135.11673	38.6
136.07542	2.9
137.09607	38.0
143.08600	2.8
145.04930	3.3
145.10132	7.6
147.06953	3.1
147.08051	17.4
147.11665	7.2
149.09610	11.8
149.13164	3.1
151.07570	3.6
151.11255	6.4
159.02870	3.7
159.11667	2.8
161.09535	3.2
161.13216	5.5
163.11156	34.2
165.09105	56.0
165.12726	3.8
167.10728	7.7
171.11684	4.9
177.12747	10.6
179.10666	8.4
181.12224	100.0
185.16638	3.1
189.12697	11.7
205.12256	8.9
207.13783	36.9
213.16022	2.5
225.14845	98.1
234.39478	2.6
259.16550	2.6
473.19958	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	473.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60971	3.6
53.03938	4.3
55.01865	6.5
55.05519	8.2
57.03409	5.3
61.02909	5.7
67.05504	27.4
69.03416	19.3
69.07057	6.0
69.38425	4.1
70.06238	6.8
70.06587	70.3
70.95795	5.4
70.96139	9.8
71.04983	6.3
72.08146	19.5
73.59853	4.6
79.05483	6.0
81.03405	18.6
81.07061	15.1
83.04973	7.9
84.04478	7.0
84.08141	13.0
85.02896	30.8
85.06538	14.8
86.09701	90.2
87.00840	13.2
87.04501	4.4
87.10050	4.9
91.05465	15.4
91.08007	4.3
93.07031	25.0
95.04948	9.3
95.08597	100.0
97.02872	12.2
99.04442	7.8
105.01860	9.8
105.07026	18.9
107.08576	27.8
108.35272	3.9
109.02889	9.2
109.06472	6.5
109.10173	5.5
113.05982	10.1
115.07573	4.4
119.08590	24.3
121.10144	29.5
123.08066	33.3
123.11692	4.4
127.03873	12.9
129.10257	8.4
133.10094	10.8
135.07996	9.9
135.11655	26.2
137.09627	25.9
145.04919	7.0
147.08023	5.7
147.11671	12.6
149.09599	37.4
151.07487	10.8
151.14864	5.0
161.13261	15.8
163.11201	18.1
165.09105	15.4
165.12738	13.8
172.66971	5.1
177.12727	4.5
181.12206	36.9
182.04945	13.3
184.67896	3.9
189.12769	28.7
199.18111	22.0
207.13773	87.9
208.02907	6.0
211.36237	4.5
225.14786	30.2
227.17535	8.2
229.15538	15.1
247.12975	4.8
287.17725	4.3
311.09210	6.4
429.20975	7.0
473.13626	9.4
473.19739	24.0
473.23828	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	473.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.01866	7.3
55.05511	3.1
56.05029	1.0
56.96560	2.6
57.03424	4.7
59.05006	1.0
61.01099	0.9
61.02920	4.0
62.20108	0.8
62.85570	0.8
63.95086	0.8
67.05506	6.4
68.99781	1.5
69.03065	1.7
69.03424	23.5
69.07068	2.4
69.27471	3.2
69.27895	6.3
70.06590	5.0
71.04981	2.9
72.08146	5.6
73.02898	3.9
79.05493	3.1
80.05007	0.9
81.03410	21.8
81.07059	7.1
83.04976	8.8
84.04507	1.4
84.08134	3.6
85.02897	44.2
85.06530	1.3
86.06071	1.7
86.09701	12.4
87.00823	19.2
87.04469	1.2
91.03934	0.9
91.05473	4.1
93.07045	4.0
95.04946	4.6
95.08588	7.7
97.02885	16.3
97.06519	9.0
99.04456	9.6
99.08093	4.6
101.02350	1.1
102.05541	1.6
105.01854	13.4
105.07024	5.5
107.04967	1.3
107.08565	6.3
108.08224	0.9
109.02871	20.2
109.06509	14.5
109.10168	4.0
110.07141	1.0
111.04425	6.7
116.10727	1.6
117.01875	2.3
117.06971	1.1
119.08543	4.5
120.08136	1.5
121.02923	1.1
121.06461	4.4
121.10138	7.7
123.08058	100.0
125.06007	1.4
125.09634	2.7
127.03909	33.8
129.01836	2.7
129.05440	0.9
129.10181	1.3
132.10176	1.0
133.10124	3.1
135.08034	1.7
135.11725	2.4
136.07611	1.2
137.05977	1.7
137.09592	3.3
139.11221	1.4
141.09085	1.3
145.04936	9.3
145.10135	1.7
147.02806	1.1
147.08026	1.0
147.11688	4.1
149.09605	8.5
151.07544	8.5
151.11191	4.5
159.02879	12.1
161.02246	0.9
161.09563	1.4
161.13237	1.7
163.03908	3.6
163.07564	1.0
163.11168	4.2
165.09085	10.0
165.12758	3.9
167.10684	4.7
169.08560	1.0
171.11615	1.3
173.02391	2.2
177.00740	1.0
177.05508	1.0
181.12228	6.5
189.03889	1.0
189.12775	4.1
197.04237	1.2
201.12320	5.3
205.12210	2.4
207.13782	18.4
209.15331	1.3
213.03995	1.2
215.07047	2.8
225.07962	2.1
225.14836	28.6
229.11777	4.9
231.04976	5.4
243.09045	2.0
245.18628	3.4
249.06244	1.0
259.09680	3.0
297.83539	0.9
299.05688	1.2
299.08719	1.1
359.22580	1.0
395.07404	1.6
409.15262	1.5
425.57193	1.0
451.16229	1.1
468.88614	0.9
472.64334	1.3
473.14206	8.0
473.19913	39.7
473.27371	5.1
474.20746	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	473.1974
Annotation	Paleatin A
Peak:m/z	Relative Intensity
53.00539	0.4
55.05494	0.6
56.96557	11.2
57.02516	0.4
61.02911	0.8
65.08421	0.4
67.05479	1.4
69.07051	0.5
71.60851	0.5
71.95232	1.1
72.95992	0.4
73.02886	0.6
74.97596	1.2
75.48603	0.4
79.05453	1.1
81.03383	0.8
81.07022	1.6
84.96014	0.4
85.02878	1.2
91.03913	0.4
91.05448	0.9
93.07001	0.8
95.08585	1.3
97.02863	1.0
97.96759	0.4
98.97572	0.4
101.31601	0.4
102.92590	2.7
105.06981	0.4
107.08609	0.7
108.21716	0.4
109.10126	0.7
110.97565	0.4
118.92068	0.8
119.08498	0.7
120.93668	0.5
121.10111	0.5
128.98601	1.3
131.00108	0.5
136.93095	5.7
146.99661	2.1
149.01138	0.5
154.94148	21.7
155.00024	0.4
161.01241	0.7
167.02286	0.4
171.96756	0.7
172.95218	79.0
177.95758	1.6
183.11609	0.5
188.14929	0.4
189.04259	0.5
190.96263	62.8
192.95708	0.9
195.96832	7.5
198.96803	1.1
208.97394	1.3
210.96776	10.1
212.98309	1.4
213.97876	4.5
214.96461	0.6
216.97792	1.1
228.97827	29.7
230.99458	1.5
233.98360	1.7
239.09525	0.5
246.98903	6.7
251.12955	0.4
251.99405	2.8
259.08554	0.6
260.86432	0.4
267.09067	0.6
285.09909	0.8
286.10229	0.5
311.10611	0.7
317.17642	1.0
318.18158	0.4
319.19397	17.4
320.19421	0.6
335.18961	2.3
337.20459	36.5
338.20880	1.2
355.21381	1.9
360.22040	5.5
383.62015	0.4
399.15970	2.8
413.17575	1.1
417.17032	1.7
455.18607	17.4
456.18890	0.8
473.19739	100.0
474.20007	3.8
496.21274	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	471.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93576	0.6
53.03941	1.5
55.01874	0.8
55.05503	1.9
56.96559	2.5
57.03423	1.1
57.07080	0.7
61.02910	1.9
67.05512	5.8
69.03407	3.4
69.07062	3.1
70.06584	2.5
70.16345	2.2
71.04987	1.0
72.00591	0.5
72.08143	1.0
73.02920	0.8
79.05499	3.0
81.03416	3.6
81.07044	7.8
83.04984	1.5
83.08596	0.9
84.04530	0.8
85.02901	2.6
85.06551	0.9
86.06092	1.0
86.09710	1.8
91.03951	1.4
91.05480	2.8
91.58220	0.6
93.07037	5.2
95.04957	2.7
95.08613	5.4
97.02895	2.6
97.06518	5.8
98.06866	0.8
99.04473	0.9
105.07014	3.1
107.08575	4.2
108.28722	0.6
109.02873	1.4
109.06503	1.5
109.10142	5.7
111.04409	1.0
111.08065	1.0
116.98611	1.2
117.07002	0.9
119.01890	0.6
119.08567	3.7
120.08119	2.0
121.06519	0.8
121.10128	3.2
123.08068	1.2
123.11708	1.1
125.09694	0.9
127.03901	4.2
129.06975	1.0
131.08586	2.0
133.10120	2.0
135.08069	1.3
135.11699	0.6
137.05965	0.8
137.09607	6.1
145.06522	0.6
145.10120	2.0
147.04404	1.1
147.11652	1.3
149.09607	2.9
159.11726	1.7
161.09642	1.2
161.13264	0.7
163.03932	1.6
163.11188	1.1
164.04262	0.9
165.09103	29.2
173.02437	1.1
175.11189	1.6
177.09167	0.6
177.12773	0.9
189.09096	0.6
189.12657	0.9
199.14926	0.7
201.03716	2.0
203.05312	1.4
203.10712	1.7
205.12242	2.6
215.07027	1.3
216.07411	0.7
224.16457	0.8
229.07469	0.7
243.08977	1.1
259.09604	1.9
260.09921	0.9
261.10190	1.1
267.08990	0.8
275.07605	1.3
285.10138	1.8
296.09961	0.8
315.10913	1.5
324.11386	0.8
333.07886	68.2
334.08206	1.6
335.09445	32.6
336.09894	0.8
435.18005	0.7
453.18301	2.1
453.30197	1.3
471.22003	100.0
472.22375	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	471.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
56.05036	2.2
56.28507	0.6
56.96561	1.9
60.04511	0.8
68.01729	0.5
68.05027	0.6
69.03431	2.0
69.07063	2.9
70.06586	100.0
71.04996	1.2
71.06923	1.5
71.60253	0.8
72.08150	6.1
73.02899	0.6
74.03797	0.6
74.04245	0.5
74.06059	1.2
78.70292	0.5
81.03400	1.0
81.07065	1.2
83.04971	0.9
83.06100	0.9
84.04494	3.4
84.08138	9.1
85.02906	2.0
85.08440	0.7
86.09698	32.1
91.05471	2.3
95.04971	0.7
95.06035	0.6
97.02886	1.3
97.06499	0.5
98.06084	0.8
98.11736	0.5
98.97570	2.4
101.07143	0.7
102.05532	1.6
103.05475	1.6
105.07027	1.0
110.00270	0.5
110.07177	3.1
112.08745	0.7
113.07108	0.6
116.07092	1.2
116.98607	2.1
119.04890	1.0
119.08543	0.6
120.08109	2.2
120.39607	0.5
121.06530	0.7
127.03908	1.1
127.08760	0.4
128.98595	1.2
129.10257	4.6
130.05003	1.0
130.10600	0.6
131.04924	4.4
134.99629	1.4
136.06180	3.0
136.07579	1.9
136.18925	0.5
137.09593	0.6
138.23004	0.5
141.10202	0.5
143.11787	0.6
146.99646	1.1
147.04396	1.6
147.08015	0.6
148.05075	0.8
148.06088	1.2
152.07056	0.6
155.12099	0.5
159.11726	0.7
161.01228	0.8
161.05879	0.5
162.99129	0.5
163.07542	2.3
163.11208	0.7
177.00699	1.1
177.05444	0.7
182.99712	0.6
199.10770	0.9
199.18050	5.2
201.00664	1.9
205.12231	1.4
216.83089	0.5
217.11826	0.7
219.01735	1.3
223.06100	1.0
223.13301	1.7
227.10188	0.7
227.17572	1.6
232.04944	0.8
237.02779	2.2
237.99156	0.6
245.11314	69.3
246.11569	1.2
284.04120	0.5
327.05374	0.7
330.27975	0.5
358.08041	6.6
376.09222	1.1
381.09796	0.7
427.15518	0.5
471.08575	1.0
471.14145	0.8
471.21231	2.0
472.11938	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	471.1818
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
54.14213	0.3
55.05495	0.7
56.96561	12.4
64.98004	0.4
67.05502	0.8
67.74466	0.3
69.07048	0.8
71.95243	1.5
72.96012	0.6
74.97596	1.5
79.05463	1.2
81.07036	1.3
83.40426	0.4
84.96018	1.3
85.02869	0.5
91.05494	0.5
92.98638	0.4
93.07022	1.3
95.04952	1.1
95.08612	0.7
97.96835	0.5
98.21490	1.6
98.97564	0.4
102.92625	2.5
104.45758	0.4
109.10148	0.9
110.97552	0.5
115.97826	0.7
116.98570	0.9
118.92066	1.1
119.08570	0.7
121.10143	0.4
128.98590	2.1
129.06998	0.4
131.00104	0.9
133.10178	0.5
134.99614	0.6
136.93073	4.9
137.02673	0.7
138.04388	0.4
141.02260	0.4
146.99640	4.2
147.11795	0.3
154.94145	23.0
155.03804	0.7
161.01208	1.2
165.00726	1.1
169.05348	0.9
171.03317	0.6
172.95221	88.1
177.95767	0.9
189.04335	1.1
190.96268	65.6
192.95822	1.4
195.96808	6.9
198.96794	0.6
203.05942	0.5
207.05295	0.4
208.97314	1.5
210.96782	9.3
212.98312	1.2
213.97888	5.1
216.97791	0.7
217.07556	0.5
218.98363	0.7
227.09662	0.7
228.97830	30.0
229.75093	0.5
230.99435	1.5
233.98389	1.6
243.09084	0.4
245.10692	0.5
246.98848	5.9
251.99364	2.4
267.12360	0.5
270.11786	0.4
279.12741	0.6
315.16324	1.0
317.17856	51.2
318.18228	1.1
333.17316	2.6
335.18896	26.4
353.15723	0.5
353.20053	1.1
358.20490	6.8
373.20566	1.3
379.13721	0.5
397.14532	5.2
407.94644	0.4
411.16101	1.0
453.17093	42.9
454.17358	0.5
471.18201	100.0
472.18576	2.1
494.19766	11.8
495.19785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55022	1.2
53.03934	4.0
55.01855	1.6
55.05510	1.4
57.03429	2.2
60.04525	1.2
69.03429	13.0
69.07039	1.3
69.26632	12.5
69.59273	1.1
70.06582	8.6
71.04977	5.0
72.08147	2.0
81.03411	27.9
81.07061	1.4
83.04969	5.2
84.04478	1.6
84.08134	2.8
85.02895	2.6
86.09708	7.5
93.07052	1.3
97.06524	2.3
98.09684	1.9
99.04446	10.3
103.03907	2.3
105.07020	1.6
109.02873	10.0
110.07166	1.9
117.05474	2.6
118.06511	4.0
120.08100	1.2
127.03901	3.2
129.10254	2.0
145.07599	4.7
147.09164	11.0
173.07066	10.7
175.08681	11.4
184.07318	2.6
191.08139	100.0
192.08502	1.9
192.38792	1.1
213.10123	1.3
215.06898	2.8
233.09326	1.2
259.09729	1.3
271.10748	2.9
276.64819	1.1
277.10727	1.2
289.11771	8.7
307.12836	37.2
325.13892	30.7
326.63925	1.3
331.13004	7.3
349.13809	7.4
389.17108	3.2
397.13641	7.5
415.15112	11.5
433.15952	11.3
451.17099	9.5
469.20343	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	469.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01865	3.2
55.05504	0.8
57.03423	1.2
61.02914	0.7
67.05488	1.2
69.03423	9.3
69.07056	0.8
70.06596	3.9
71.04990	6.5
71.35830	0.7
71.36166	0.4
72.08146	3.3
72.20789	0.3
73.02890	0.6
74.06066	0.4
79.05476	0.5
81.03410	9.4
81.07034	1.2
83.04966	1.5
84.04496	1.1
84.08127	3.3
85.02885	1.3
86.09695	2.7
91.05476	1.5
93.07030	0.9
95.04978	0.6
95.08024	0.3
95.08589	1.2
97.02866	0.5
97.06506	0.7
99.04446	4.7
105.03386	0.5
105.07057	0.6
105.46685	0.4
107.08579	0.7
109.02873	3.2
110.07151	0.9
110.17979	0.4
115.02567	0.4
116.04973	0.4
117.05483	1.7
118.06532	3.5
119.08569	0.6
120.08091	1.3
121.10114	0.7
122.07113	0.7
124.07561	0.6
124.99960	0.4
127.03899	1.9
129.10204	1.4
133.10100	0.5
136.07559	0.9
145.06512	0.7
145.07587	5.5
147.09152	3.8
162.07878	0.6
163.08672	0.9
173.05678	0.7
173.07091	10.6
175.08667	3.9
184.07326	0.9
185.07701	0.6
190.07304	0.5
191.08136	100.0
192.08475	1.2
203.10605	0.5
215.06969	1.3
231.11250	0.6
233.08975	0.5
253.21645	0.9
271.10858	0.7
271.22754	1.1
277.10477	0.6
289.11768	4.5
307.12848	65.8
308.13239	1.6
325.13925	15.5
363.09448	0.7
397.13870	0.7
407.18304	1.0
409.16055	0.9
415.14932	1.6
418.07672	0.4
433.15958	3.7
451.16922	0.7
469.20367	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	471.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.05506	2.8
55.47286	1.0
55.74379	0.9
55.93527	4.7
56.05034	3.6
56.94305	1.2
56.96556	1.3
57.03434	1.0
58.06597	1.0
59.37695	0.9
65.03916	1.0
67.05496	2.0
69.03410	4.3
69.07069	3.5
70.06586	100.0
70.95860	3.4
71.22147	2.0
72.08155	5.8
72.93784	9.1
74.06057	1.9
79.05490	1.3
81.03418	1.9
81.07047	1.9
83.04972	5.3
84.04517	3.5
84.08137	12.8
85.02891	4.9
86.06054	2.0
86.09699	33.9
90.94830	7.2
91.05470	6.1
93.07047	1.8
95.04945	2.3
97.02897	1.9
98.06065	1.4
98.97546	1.0
102.05508	1.3
103.05453	2.2
105.07017	4.9
107.08599	1.2
108.95845	1.8
109.02966	1.1
109.06521	4.0
110.07182	5.0
115.05571	0.9
116.07069	1.6
116.96339	1.2
116.98611	1.2
117.07034	1.0
119.04943	2.2
119.08598	7.2
120.08116	1.3
121.06527	2.4
121.10163	1.0
127.03936	2.0
129.10239	5.7
131.04912	7.7
132.95844	17.2
133.10127	3.6
134.97366	1.9
135.08044	1.5
136.06165	1.7
136.07567	5.9
137.05923	2.0
142.07797	3.1
143.08546	1.9
144.95839	5.3
145.10123	1.5
146.97385	2.0
147.04408	2.9
147.08034	2.4
147.11687	3.3
150.96889	15.1
157.10110	2.4
158.97369	2.0
160.08795	1.6
162.96890	8.6
163.07552	3.1
163.11092	1.2
164.99898	1.2
165.05359	1.1
167.01685	1.1
173.09631	4.2
174.96875	37.4
175.11115	10.2
175.12277	1.0
178.97910	1.0
179.10652	1.5
180.99524	2.8
183.01093	2.1
184.98851	1.0
185.02608	1.4
186.96844	5.0
191.10661	1.2
192.97942	4.5
192.99510	2.0
193.67386	1.1
195.01065	2.7
198.11298	1.6
199.00572	4.2
199.18130	4.0
201.00737	3.3
204.97964	1.5
205.12225	1.6
207.00993	1.7
208.98994	1.5
211.00522	11.5
215.99530	1.1
219.01735	1.0
223.00706	1.3
223.13252	1.8
225.02063	2.5
227.00018	1.6
227.17592	1.4
229.01527	13.4
229.03294	1.0
234.98680	1.5
235.00789	1.6
236.01311	2.1
245.11301	64.5
247.04182	3.4
249.02118	1.6
262.99887	2.5
263.03751	1.9
265.02441	1.9
265.05179	15.0
265.07819	1.5
283.06219	22.3
288.06689	1.5
289.05078	5.4
307.03043	1.5
307.06250	14.9
309.04028	1.0
319.06201	10.6
325.07358	1.7
327.05310	1.9
337.07242	3.1
351.05219	60.9
352.05490	1.9
358.08044	1.1
360.08966	1.3
363.05225	36.7
369.06412	4.1
381.06070	2.6
392.07724	2.7
392.74088	1.2
404.07849	1.4
409.42804	1.1
411.06915	1.5
447.71930	1.1
471.08542	2.2
471.22345	6.0
472.11874	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	468.3081
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
52.57917	1.1
53.58765	1.1
55.05495	5.1
56.96552	3.2
57.03436	6.7
57.07072	36.7
58.07407	2.2
59.04971	1.6
61.02910	2.2
62.06085	22.8
67.05499	21.8
68.05820	3.4
69.03407	1.9
69.07069	6.8
69.63103	7.2
70.07405	1.0
71.08627	27.3
72.08959	1.9
73.02907	1.3
74.76263	1.1
81.07048	15.5
82.07361	1.5
83.08604	9.2
85.02886	2.3
85.10176	15.3
86.10563	1.1
89.06032	9.1
91.05434	1.6
93.07042	1.7
95.05009	1.2
95.08595	15.5
96.08920	2.1
97.02881	3.2
97.10154	5.5
98.21584	1.6
98.98459	12.4
99.11713	1.5
103.03937	1.2
107.77538	1.2
109.10145	16.0
110.10495	5.4
111.11691	2.1
123.11710	2.1
124.01625	1.7
133.08620	5.5
142.02612	1.9
146.99641	1.6
155.01024	13.3
165.87254	1.2
173.11702	3.5
174.12001	1.9
177.11255	1.8
186.96596	1.3
202.77924	1.6
216.06247	2.8
229.07449	2.1
241.07324	1.8
243.08838	1.5
244.47560	1.1
245.06818	1.2
247.08516	1.9
253.25293	2.1
283.17542	2.8
296.29486	12.7
313.27365	4.0
314.27676	11.1
327.28922	100.0
328.29218	2.9
331.10559	2.7
407.25372	5.5
460.31168	1.2
468.37573	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	468.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01869	1.4
55.05494	1.6
56.05025	1.3
57.03431	1.4
57.41591	0.6
58.06602	1.4
60.07878	1.0
60.08162	15.6
67.05504	3.4
69.03426	3.8
69.07057	1.8
69.64457	4.7
70.06570	1.8
71.04984	2.5
71.07375	6.0
79.05494	3.3
81.03410	9.8
81.07042	7.2
83.04967	4.0
83.08602	1.4
85.02903	4.0
85.06534	0.8
86.09699	50.6
89.08388	0.6
91.05472	2.6
93.07038	6.6
95.04950	3.7
95.08595	5.0
96.01018	0.6
97.02870	2.2
97.06539	4.4
98.21512	1.3
98.98459	3.9
99.04450	5.2
104.10739	100.0
105.07019	5.6
105.11100	1.0
106.08469	0.7
107.04961	0.9
107.08593	4.3
109.02878	5.7
109.06506	3.4
109.10166	1.0
111.08074	3.4
118.06551	0.8
119.08588	2.8
120.06487	1.0
121.06496	8.5
121.10151	1.1
123.08049	1.1
123.11711	0.7
124.99068	1.3
124.99996	25.8
125.05985	3.2
127.03918	4.1
127.07542	1.6
129.06985	1.1
131.08575	1.3
133.10123	2.3
135.08060	1.6
137.05919	0.8
137.09717	0.8
139.07501	2.6
143.01057	0.8
143.07037	1.9
145.07600	2.1
146.06041	1.0
147.09206	1.7
147.11673	6.7
148.07533	0.6
151.11198	1.2
153.09053	0.8
157.08650	1.3
157.10143	2.2
161.13268	1.0
165.12727	2.3
169.12286	2.0
171.11702	1.0
173.07133	1.9
174.03859	0.7
175.08705	1.9
175.11169	4.0
184.07330	95.0
185.07643	0.8
187.06061	2.2
189.12773	2.7
191.08136	27.3
193.12210	4.3
194.29892	0.7
199.11134	4.3
205.07074	1.2
207.13892	1.9
210.11458	0.7
211.13231	4.1
214.16492	0.7
215.07080	1.3
217.12248	7.8
224.08171	1.1
229.14375	2.5
235.13272	12.4
253.14323	13.9
259.09711	0.9
271.10822	0.9
271.15338	2.3
289.11838	1.8
289.16525	1.0
304.05469	1.6
305.05569	0.8
306.05850	1.3
307.12888	9.4
325.13898	8.7
331.12869	1.4
349.13867	1.4
361.16391	1.2
379.17419	1.1
389.17191	0.8
397.13867	1.5
397.18506	1.7
415.14880	1.9
415.19669	1.8
433.16025	2.0
450.22479	7.6
451.17242	1.8
468.23621	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	468.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.5
55.01866	11.6
55.05504	14.3
56.05019	6.3
56.43126	4.3
57.03430	5.2
67.05492	16.6
69.03426	24.1
69.07078	27.3
70.06596	63.4
70.44997	12.4
71.04965	9.7
72.08128	12.8
74.06084	23.6
77.19576	4.9
79.05490	15.5
81.03418	33.4
81.07032	27.3
83.04957	6.8
83.08625	4.9
83.67482	5.2
84.08136	22.1
85.02912	16.2
85.06533	10.2
86.09700	22.3
91.05466	17.3
93.07041	34.4
95.04954	9.8
95.08604	13.0
95.34277	4.2
97.02872	13.9
97.06532	58.0
98.97574	5.2
99.04424	8.1
101.61802	4.7
101.62806	4.2
103.05457	9.0
104.10758	7.0
105.07026	39.5
107.04954	8.0
107.08594	42.1
109.02857	22.4
109.06486	12.8
109.10136	7.6
110.07171	7.8
113.05988	5.1
117.06997	8.9
119.04898	7.3
119.08563	13.8
120.08092	67.2
121.06490	11.9
121.10158	29.3
123.08025	7.4
124.99981	7.8
127.03933	22.9
129.06958	5.7
130.06496	20.7
130.08626	5.1
135.04453	6.9
135.11732	11.5
136.07616	7.9
139.11075	5.4
142.08675	6.2
145.04988	5.9
145.10106	22.3
146.05956	4.9
147.04405	9.0
147.11728	6.6
149.09575	8.6
151.07516	7.1
159.04391	6.5
161.02361	7.3
163.03870	19.1
163.11192	50.0
167.10677	21.1
169.08586	79.6
173.02357	15.3
181.12265	16.5
184.07358	29.9
191.10597	26.4
209.11687	32.4
215.07027	43.1
227.12758	100.0
259.09604	35.3
269.09283	7.1
277.10632	38.1
289.14413	5.7
290.50418	5.3
294.94257	5.4
303.04935	5.1
304.05252	4.7
335.14828	5.3
353.16043	60.6
371.16949	19.7
450.24359	7.0
468.10031	6.4
468.21652	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	468.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05031	0.5
56.50368	0.2
57.03432	0.3
58.06630	0.6
60.08160	6.9
61.02920	0.4
67.05508	0.5
69.07061	0.3
69.41380	1.6
70.06589	1.7
71.04984	0.2
71.07365	3.1
72.08138	0.3
79.05473	0.4
81.03410	0.5
81.07050	0.7
83.04987	0.3
83.06097	0.2
84.04494	0.3
84.08137	0.8
85.02899	0.6
86.09699	32.1
87.10024	0.2
91.05464	0.7
93.04486	0.2
93.07021	0.5
95.04978	0.2
95.08595	0.5
97.02834	0.2
98.98450	2.7
101.89857	0.2
103.93718	0.2
104.10736	3.8
105.07012	0.4
110.07183	0.4
115.05405	0.2
119.08575	0.4
121.10145	0.4
124.99994	20.9
129.10184	0.3
131.08530	0.3
133.10097	0.2
136.07582	0.2
143.01060	0.4
146.06012	0.5
147.04446	0.2
148.07491	0.2
154.14571	0.2
161.86646	0.2
166.05022	0.2
166.08601	0.2
172.33449	0.2
184.07324	100.0
185.07660	0.6
185.15096	0.2
215.07027	0.2
259.09607	0.3
264.13437	0.2
269.05804	0.2
285.16904	0.3
292.12845	0.3
299.13699	0.3
303.05072	0.4
304.05206	0.6
304.25772	0.2
305.05380	0.4
306.05753	0.7
309.15442	0.5
337.14893	0.2
432.23795	0.2
450.12927	0.2
450.21915	0.8
468.17947	0.3
468.23721	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	468.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01862	3.2
55.05490	3.8
56.96550	3.5
57.03416	3.0
59.53911	1.9
60.04517	2.4
61.02905	2.5
67.05221	1.7
67.05500	20.8
69.03410	6.2
69.07061	9.5
69.53622	1.8
70.06591	25.7
70.48759	1.7
71.04979	4.0
71.59971	2.3
71.60346	2.0
72.08142	4.1
77.48890	1.6
79.05480	8.8
81.03403	15.5
81.07050	13.4
82.06574	2.5
83.04964	2.8
83.08592	2.5
84.08141	9.1
85.02883	7.9
86.09678	7.8
91.05471	8.1
93.07026	7.7
95.04945	7.2
95.08602	10.7
96.08134	1.9
97.02881	7.0
97.06530	31.5
99.04432	2.7
99.76974	1.8
103.05502	1.9
104.05297	1.7
104.10764	2.5
105.07007	5.6
107.04915	5.1
107.08554	5.1
109.02877	15.9
109.06493	2.1
109.10152	40.1
110.07172	4.5
111.04395	3.3
116.98631	2.2
117.03388	2.6
119.08563	5.5
120.08105	14.7
121.02844	2.8
121.10133	2.3
123.04456	1.7
123.08077	1.8
123.11664	2.3
125.05962	4.2
126.05460	1.8
127.03933	11.1
129.10194	3.1
134.99556	2.3
135.04381	2.9
135.08066	4.5
136.07549	3.6
137.05975	2.3
137.09601	100.0
138.09081	2.5
145.02800	2.6
147.08022	2.7
155.10663	5.7
159.04358	2.7
160.12149	1.6
161.02335	7.0
163.03896	16.4
163.11130	2.7
165.09099	99.7
166.08632	4.5
173.02296	11.5
173.13252	1.9
180.04187	2.0
183.10220	8.7
184.07356	4.1
201.11243	10.3
215.06979	25.2
233.37144	1.8
259.09662	24.9
260.09851	2.0
277.10712	17.0
287.05643	2.3
291.12265	11.7
299.05630	4.4
306.13315	4.6
309.13315	40.4
327.14261	7.9
358.59625	2.0
432.28189	2.2
468.10172	2.6
468.16299	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01826	0.7
55.05447	0.8
57.24887	0.6
57.64735	0.5
67.05434	1.7
69.03351	0.5
69.06982	2.4
69.40399	3.1
69.40823	1.5
70.06516	1.8
70.06858	0.5
79.00209	0.5
79.05405	3.0
80.04964	1.0
81.03344	1.1
81.05743	1.0
81.06992	1.4
82.06519	1.2
84.08060	0.9
85.02821	0.7
86.09655	0.9
91.05474	3.1
91.20450	0.4
93.05693	0.5
93.07040	6.5
93.08575	0.4
94.06558	6.5
94.25484	0.4
95.04884	1.7
95.07338	6.9
95.08516	1.7
96.08129	13.3
96.08700	0.6
97.06531	9.2
103.05385	1.3
105.06946	0.9
106.06533	0.6
108.04430	1.2
108.08118	7.4
108.08797	0.6
109.08817	0.9
109.57070	0.6
110.09675	25.5
110.10373	1.2
118.06441	0.6
119.08533	0.7
120.08099	15.6
121.06438	1.0
122.05937	0.9
123.06724	1.1
124.07438	0.5
133.10010	0.9
134.03543	0.8
134.05939	1.2
135.04321	0.6
135.06828	0.5
136.07497	2.0
138.05475	0.5
138.09126	27.6
140.06984	0.5
144.20534	0.5
146.05882	0.6
148.07596	3.8
150.63863	0.4
154.08502	0.6
158.09552	0.6
158.23459	0.6
161.02275	1.7
161.07117	2.9
163.03917	3.5
166.08630	37.5
168.06485	0.8
172.10980	0.5
173.02373	3.5
173.07095	0.5
176.06979	0.5
180.04100	0.7
184.07338	0.9
187.08643	1.2
193.58406	0.6
198.09142	0.6
199.08586	0.8
199.12251	0.6
201.10231	4.1
213.10225	0.7
215.06895	4.3
215.11642	1.5
225.10364	0.6
226.10892	0.7
227.08078	0.9
229.09790	2.3
229.13359	1.3
231.11221	0.7
239.11728	1.2
241.09612	0.7
242.10548	1.1
243.11203	1.9
247.14508	1.1
255.11217	1.4
257.12927	3.7
259.09631	9.5
267.11417	0.6
269.12830	0.7
275.13867	4.2
277.10904	2.5
284.78705	0.5
285.12347	3.6
297.12430	1.2
299.13629	0.7
303.13364	100.0
304.13620	1.9
315.13382	6.3
440.21518	0.6
450.20035	1.2
468.21329	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	467.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01884	1.0
55.05510	12.6
57.03431	6.9
57.07075	47.7
58.40968	0.7
59.04995	3.4
65.03934	3.0
65.04278	0.7
67.05502	100.0
68.05805	1.0
69.07066	10.3
71.04989	3.2
71.08630	31.6
71.12650	1.1
71.12963	1.3
71.38876	0.7
73.02904	0.8
79.05496	2.5
81.07053	29.7
83.08618	16.4
85.02887	1.8
85.06561	3.0
85.10179	20.5
85.95671	0.7
87.04497	0.8
91.05478	4.9
92.96851	0.8
93.07053	3.6
95.04996	1.0
95.08604	31.4
97.10166	6.3
98.98461	24.9
99.11753	1.9
107.08595	1.7
109.10152	72.3
110.10480	0.9
111.08106	2.3
111.11733	2.1
116.99445	1.2
119.08583	4.9
121.10141	1.5
123.11700	5.6
125.13286	1.6
128.40709	0.8
133.10139	1.1
135.11659	1.0
137.00018	1.3
137.09627	2.4
137.13222	2.5
155.01028	27.9
155.10583	3.5
173.11736	22.2
211.03668	1.0
229.04776	0.9
239.23720	8.5
277.49780	0.7
313.27356	52.1
314.27588	3.8
331.10541	1.4
449.26639	6.7
467.37311	62.5
468.37579	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	468.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50116	0.7
55.01863	2.2
55.05499	1.5
56.05017	2.7
56.96567	1.3
57.03431	0.8
57.07059	0.8
58.99575	2.7
60.04510	2.4
61.01142	7.4
63.65665	0.6
67.05499	1.6
67.92951	0.6
68.05010	2.5
69.03426	58.2
69.07056	1.0
69.85863	3.4
70.02944	1.2
70.03725	0.7
70.06246	1.0
70.06592	14.8
71.04961	1.2
72.04512	8.8
72.08164	3.3
72.93785	0.6
73.02898	3.3
74.00661	0.8
74.06065	1.4
74.74789	0.7
76.01821	1.3
76.02222	16.5
78.03791	13.3
79.05467	0.8
81.03397	1.1
81.07040	1.4
83.04967	1.5
83.06084	1.2
84.04497	2.5
84.08147	6.5
85.02901	2.3
85.06524	2.0
86.06060	6.4
86.09697	8.0
86.99044	0.8
88.02222	4.2
88.03988	1.6
90.03788	0.8
91.05457	1.6
93.07054	0.7
95.04964	2.4
97.02847	1.2
97.06506	1.0
98.06042	7.2
98.09651	1.0
99.05573	2.2
101.07177	0.7
102.03764	25.3
102.05503	0.8
103.02166	2.3
104.01746	0.7
109.65068	0.6
110.07141	3.1
110.09695	0.9
113.06013	1.7
114.03746	7.9
115.08698	2.4
116.07045	1.1
116.98575	1.0
118.03222	1.6
119.04919	2.2
120.04749	3.7
120.08088	2.6
121.02826	0.8
121.08448	0.8
122.02731	1.4
124.07575	2.4
127.02126	0.8
127.03899	1.6
128.05295	17.4
129.03680	1.9
129.10242	2.7
130.03207	2.4
130.08606	0.8
131.04919	1.5
131.06371	9.4
132.04784	12.8
136.07518	1.9
137.05956	1.2
138.09138	0.6
140.07063	17.3
141.06544	0.7
142.08614	4.7
143.06384	1.5
144.04779	5.7
145.02861	0.8
147.04396	5.5
147.05791	1.3
148.04756	1.3
149.07430	39.9
156.04762	2.1
156.10280	0.8
158.02629	0.9
159.05875	2.1
161.05957	1.0
161.07407	0.8
162.05826	0.9
167.10478	0.6
172.04227	3.6
173.09329	0.7
174.05693	1.0
178.03578	0.6
183.11305	0.7
184.09680	2.4
190.05318	3.0
193.54677	0.6
198.05872	2.7
200.07555	0.9
202.05333	1.8
207.06256	0.8
215.08356	0.8
217.10033	6.1
234.79742	0.7
244.06419	2.1
249.07401	1.8
253.06535	0.7
259.88806	0.7
261.12701	3.5
270.13278	1.2
275.08792	6.9
299.10913	0.9
309.09268	1.2
321.09381	12.2
338.12009	100.0
339.12201	1.9
450.17300	23.7
451.17554	1.1
468.17874	0.9
468.28732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.3
57.03432	10.5
57.07076	34.2
61.73507	1.4
67.05497	17.1
69.07059	9.5
69.34896	7.5
69.35326	7.3
71.08627	23.0
81.07063	13.2
82.55166	1.3
83.08622	9.3
85.10188	13.2
86.49589	1.5
91.05495	1.5
93.07048	1.6
95.08603	20.4
97.10148	4.9
98.98456	49.8
109.10144	14.3
116.99480	2.2
123.11658	3.1
136.99944	2.9
137.13220	1.8
147.03036	1.9
147.12668	1.4
149.13336	1.6
155.01041	53.2
173.11856	1.6
194.09689	1.5
200.70033	1.4
229.04666	3.2
239.23680	7.2
267.08929	2.2
285.09961	1.7
311.25842	1.8
313.27344	100.0
314.27679	3.4
377.53241	1.7
449.26614	15.2
467.37061	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	467.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05508	14.0
57.03432	2.4
57.07072	37.6
59.04997	4.8
61.02884	0.6
65.03948	3.7
67.05500	100.0
68.00485	0.6
69.03419	1.1
69.07069	8.6
71.04979	2.9
71.08628	28.7
71.52063	0.5
71.52408	0.9
74.99270	0.6
78.59051	0.7
79.05478	2.9
81.07055	28.9
83.08613	16.8
85.06533	2.8
85.10175	14.5
91.05463	7.1
93.07036	4.0
95.04941	0.9
95.08601	28.1
97.10172	4.3
99.08082	1.1
107.08604	1.6
109.10149	81.2
110.10477	1.5
111.08083	2.5
111.11720	1.6
119.08567	4.5
123.11698	5.8
137.09610	3.7
137.13240	1.8
151.14865	0.6
155.10686	3.8
165.16356	0.9
173.11726	27.2
221.22601	1.2
239.23665	8.5
267.09164	0.9
315.10995	0.7
367.67569	0.6
467.37299	85.9
468.37750	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	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.05511	11.5
57.03442	1.5
57.07074	37.0
57.08937	0.7
59.05000	3.4
65.03935	2.8
67.05502	100.0
69.03436	0.7
69.07067	9.6
70.13306	1.9
70.13705	1.2
71.04992	2.9
71.08627	27.4
79.05496	2.6
81.07050	26.5
81.07513	1.6
83.08617	13.3
85.06544	2.8
85.10175	14.3
85.10650	1.1
91.05473	5.9
93.07040	3.6
95.04961	1.1
95.08604	24.6
97.10157	4.7
99.11729	1.7
100.52985	0.7
104.92156	0.8
107.08580	1.8
109.10151	82.9
111.08099	2.2
111.11705	1.2
119.08574	4.8
123.11708	4.3
125.13239	0.9
137.09660	2.5
137.13254	1.7
146.63655	0.7
155.10661	3.5
159.76607	0.7
173.11725	28.3
221.22707	2.0
239.23651	8.2
273.56818	0.7
467.37329	91.4
468.37674	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	467.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56896	0.9
55.01866	1.1
55.05510	1.2
61.02909	0.9
67.05499	1.7
68.58128	0.9
69.03418	2.0
70.06584	5.7
71.59628	1.6
72.08147	2.4
77.03915	1.2
79.05472	1.2
79.15565	1.0
81.03407	3.1
81.07034	2.5
84.04486	1.1
84.08141	2.5
85.02898	2.7
86.09693	5.2
91.05474	2.2
93.07021	2.0
94.06586	0.9
95.04963	3.2
96.08133	2.1
97.06535	1.9
105.06992	1.1
108.08103	2.4
109.02859	3.5
110.07134	1.3
110.09660	1.8
112.81856	0.9
113.53758	0.9
119.08522	1.6
120.08070	2.2
122.06018	3.9
124.07601	7.3
127.03926	1.8
133.10115	1.1
136.07562	100.0
137.07913	1.8
138.09123	2.7
140.06976	2.2
145.06343	0.8
146.05965	1.3
147.04332	0.9
152.07040	24.0
161.06032	1.1
163.03909	1.9
163.07587	0.9
164.07056	94.9
165.07416	1.4
166.08653	3.3
167.08839	1.7
170.08102	1.8
182.08128	3.4
184.07323	5.4
185.07611	1.3
196.00809	0.9
201.16438	0.9
213.09125	1.1
215.07068	1.5
224.09299	1.6
259.09677	3.3
287.13876	23.4
290.10168	1.3
296.11005	1.2
299.13901	1.2
302.12006	1.9
303.05075	1.4
305.05377	1.3
305.15121	2.3
308.11368	1.1
313.11795	1.6
314.11923	2.4
347.16080	6.9
365.15125	1.3
395.15869	2.4
404.27966	1.1
413.16861	3.1
431.17896	1.5
467.09424	1.4
467.15414	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	467.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05503	1.6
56.05030	1.6
56.96557	1.5
59.35702	0.5
60.04530	0.8
61.01126	0.7
67.05508	2.0
69.03423	2.1
69.07059	1.9
70.06590	10.3
70.61674	0.7
70.62019	2.1
71.04971	0.7
71.06902	0.6
72.08146	4.9
74.06065	1.6
78.04755	0.7
79.05488	1.9
81.03433	2.2
81.07037	2.1
83.04966	0.6
84.04493	2.6
84.08142	5.1
84.96083	0.7
85.02895	2.1
86.09705	4.6
87.05567	0.8
91.05473	6.2
93.07021	3.1
94.06561	1.2
94.07283	0.7
95.04951	2.9
95.08631	0.9
96.08123	2.2
97.02884	1.5
97.06491	1.0
98.97569	1.1
99.04453	0.8
102.05537	0.8
105.07003	1.6
107.08574	1.4
108.08110	2.4
108.08791	0.6
109.02861	2.8
109.06542	0.7
110.07149	2.8
110.09666	1.0
111.04453	0.8
116.98644	1.6
119.04948	0.8
119.08556	0.9
120.08095	5.8
120.66744	0.8
121.10162	0.7
122.06029	2.5
123.04440	2.1
123.08033	0.8
124.07597	10.4
126.05486	1.0
126.85218	0.8
127.03905	1.9
129.06612	0.7
129.10207	2.7
130.80124	0.6
131.08580	0.8
134.99641	1.5
136.07570	93.1
137.07892	0.9
138.09131	1.6
140.06999	1.6
144.08075	4.2
147.04434	1.9
150.05460	0.8
152.07056	24.8
158.99678	1.0
162.05443	0.7
163.03905	0.8
164.07059	100.0
165.07393	0.8
166.08636	2.4
167.08955	1.6
170.08107	2.3
171.11487	0.6
182.08141	4.0
184.07330	0.9
186.93233	0.6
201.16508	0.7
212.09360	0.7
214.12141	1.1
215.06960	0.8
225.10226	0.6
226.12186	2.2
229.09563	1.1
237.02711	0.8
241.13319	3.6
243.08801	0.9
244.09666	0.8
251.02335	0.7
257.12796	1.2
258.10092	0.8
259.09705	1.6
269.00909	0.8
269.03445	0.7
269.12814	8.8
272.08954	0.7
280.53809	0.7
287.13873	21.7
295.02444	1.0
296.11139	1.1
302.12097	1.1
303.04904	5.7
304.05301	1.0
305.05563	1.1
305.14975	4.0
308.11133	2.1
314.12173	1.4
326.12311	1.1
341.03244	1.7
347.15842	1.4
359.30499	0.8
407.07559	1.2
413.16791	2.3
423.16171	1.1
431.17908	2.7
449.08990	0.7
449.19247	3.7
467.09293	1.6
467.15192	3.3
467.24759	1.2
468.16342	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	467.1895
Annotation	Trp Asp Phe
Peak:m/z	Relative Intensity
52.39101	0.3
56.05032	0.6
60.04518	0.8
69.03402	0.3
70.06587	4.3
70.89471	0.6
70.89851	0.5
71.06950	0.2
72.08141	1.4
74.06072	0.4
81.03442	0.3
83.05000	0.4
83.06091	0.3
84.04500	0.8
84.08131	2.8
85.02904	0.6
86.09705	1.3
86.55471	0.3
87.05581	0.3
91.05473	1.2
93.04468	0.3
94.06610	0.3
95.04982	0.4
97.02863	0.4
102.05531	0.3
107.08617	0.3
110.07121	1.4
112.08737	0.3
119.04941	1.3
120.08099	1.2
122.07169	0.2
127.03915	0.4
129.10213	1.1
136.07573	1.2
137.07954	0.3
144.08073	0.8
145.02896	0.4
145.10127	0.3
147.04385	4.3
150.05612	0.3
161.02975	0.4
171.05014	2.4
171.11467	0.3
173.06624	0.3
173.12794	0.3
177.00581	0.3
177.05411	0.4
183.04893	0.3
189.06125	0.5
203.05232	0.5
211.04503	0.7
220.11752	0.3
243.12379	0.3
261.13412	0.9
275.11288	0.8
279.14389	7.3
280.14600	0.4
287.12582	2.0
297.15479	5.0
303.08517	0.3
305.12256	2.8
317.12253	0.3
323.13379	8.8
324.13556	0.6
328.13788	0.3
329.12396	0.9
347.13318	7.5
348.13770	0.4
365.09845	0.3
365.14426	6.8
388.15854	0.5
449.17780	2.5
467.18817	100.0
468.19205	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	467.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50795	0.2
55.05514	0.4
56.05021	0.5
56.96554	0.3
60.04507	0.3
61.02946	0.2
67.05506	0.4
68.05021	0.9
69.03432	0.3
69.81203	0.2
70.06587	100.0
70.08090	1.1
71.06914	0.8
72.08147	1.4
74.06052	0.2
78.36919	0.2
79.64041	0.2
81.03430	0.3
81.04543	0.3
83.04964	0.3
84.04505	0.9
84.08130	2.3
85.02912	0.9
85.94830	0.2
86.09698	1.2
89.22376	0.2
91.05482	1.3
95.05009	0.3
97.02926	0.3
98.06129	0.2
100.77932	0.2
102.05564	0.4
105.01859	0.3
107.04935	0.4
109.02873	0.5
110.07157	1.3
112.07571	0.6
112.08745	0.3
116.07112	0.3
116.98661	0.3
119.04948	1.4
120.08128	0.9
122.07162	0.3
124.03941	0.2
127.03893	0.7
129.10233	1.1
129.18880	0.2
132.04456	1.2
134.99649	0.3
135.04419	0.4
136.07594	1.2
144.08153	0.7
145.07626	0.5
147.04402	4.9
147.05505	0.4
150.05524	0.7
163.03940	0.6
171.03439	0.2
171.05087	0.8
173.10818	0.3
201.10330	0.8
213.04070	0.3
219.11406	0.5
231.05206	0.2
252.97931	0.4
279.14343	2.3
297.15561	1.0
305.12534	0.8
323.13373	2.1
329.12796	0.2
347.13382	2.6
365.14383	1.7
388.16132	0.3
449.17694	0.5
467.18866	21.1
468.18909	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	467.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99399	0.2
53.03955	0.6
55.01868	0.3
55.05505	1.3
57.03410	0.3
61.02899	0.3
65.03938	1.5
67.05497	1.6
69.03416	1.0
69.07068	1.3
70.06597	1.6
71.05011	0.4
71.61007	0.5
72.08147	0.6
74.06062	0.3
79.05487	0.9
79.73390	0.2
81.03405	0.8
81.07059	2.4
82.06564	0.3
83.04975	0.9
83.08620	0.3
84.08138	0.8
85.02885	0.8
85.06525	0.5
86.09698	0.6
86.10690	0.2
88.71886	0.2
91.05479	12.0
93.07046	1.4
95.04970	3.5
95.08612	1.5
97.02895	0.5
97.06524	2.7
97.10174	0.4
98.09685	0.8
99.04496	0.3
100.11274	1.3
101.00526	0.2
103.05495	0.2
105.07037	0.9
107.04933	0.3
107.08597	1.0
107.71059	0.2
109.02887	0.5
109.06539	0.6
109.10172	0.9
110.07204	0.3
111.04431	0.9
111.08102	0.4
115.05367	0.2
117.07045	0.2
119.04942	26.6
119.08590	0.9
120.08119	0.5
121.02827	0.3
121.06541	0.3
121.10127	0.9
123.04421	1.5
123.08006	0.4
123.11707	0.5
127.03921	0.6
128.10718	0.7
131.08525	0.8
133.10115	0.6
135.11696	0.4
136.07590	0.3
137.05960	0.4
137.09549	0.6
139.11201	0.3
143.08528	0.3
144.08057	0.5
145.02853	0.3
145.06432	0.3
145.10100	0.8
147.04407	100.0
148.04718	0.8
149.09610	0.4
153.01845	0.7
156.10172	0.4
157.10162	0.4
159.11653	0.4
161.02383	0.4
161.13174	0.4
163.03900	1.2
163.11162	0.3
165.05489	1.6
165.09085	0.3
170.15390	0.7
171.11751	0.3
173.02347	0.9
173.13284	0.4
175.07414	0.3
177.05498	0.3
182.15453	0.4
183.11560	0.3
198.14894	0.9
201.16364	0.5
210.14963	1.1
211.14975	0.3
215.07022	1.0
217.12242	0.3
237.10109	0.3
245.04648	0.4
253.43156	0.2
259.09659	2.5
269.12317	0.2
301.03625	0.3
302.04361	0.5
303.05026	1.6
303.08569	10.1
304.05664	0.2
305.24841	0.3
467.09750	1.4
467.19632	0.5
467.27039	0.4
467.35678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40061	0.3
51.02370	0.3
53.03936	1.0
55.01872	1.4
55.05494	1.0
57.03432	3.5
57.07072	1.5
60.08149	0.4
61.02916	2.6
63.20353	0.2
65.03912	0.4
66.04716	0.3
67.05498	4.3
69.03419	8.6
69.07054	2.9
70.06556	0.7
71.01347	0.6
71.04961	0.6
71.08614	0.4
71.33652	0.3
71.33995	0.6
73.02911	10.3
79.05485	9.4
79.05950	0.3
81.03425	1.9
81.07047	100.0
82.07375	0.6
83.04956	0.4
85.02895	19.1
86.09692	1.6
87.04466	1.0
87.10056	0.3
91.03947	0.8
91.05476	1.3
93.07024	1.7
95.04965	1.0
95.08593	16.6
97.02879	13.5
97.06505	1.8
99.04451	0.8
101.26087	0.3
103.03943	0.9
103.29714	0.3
105.07033	0.5
105.08663	0.3
107.08559	0.7
107.81538	0.3
109.02866	1.7
109.06531	0.4
109.10117	1.6
111.04459	0.4
115.03915	6.3
119.04910	0.5
119.08573	0.5
120.08047	0.3
121.06514	0.4
121.10179	0.4
123.04446	0.4
124.99998	1.1
127.03903	7.1
131.08615	0.3
133.04950	8.8
133.10129	0.5
135.08089	0.3
135.11641	0.3
136.07597	0.7
137.05988	0.5
137.13242	20.6
139.98973	0.3
140.10706	0.7
145.04941	9.5
145.10214	0.4
147.04420	1.1
150.07648	0.4
151.03874	0.3
154.15918	0.6
162.07529	0.3
163.03909	1.0
163.05989	4.6
181.04947	0.4
184.07359	2.8
185.07703	1.7
186.06345	0.4
186.07791	1.7
186.11331	1.3
193.04993	0.4
211.06104	0.4
217.07193	0.6
223.05980	2.0
241.07076	2.5
259.07913	3.0
263.16501	0.4
277.09302	1.3
295.10226	2.1
313.11887	0.3
409.62576	0.3
466.19467	0.5
466.28183	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	466.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.2
53.51702	2.0
55.01871	12.4
55.05492	5.4
57.03423	6.9
60.04517	2.5
61.02902	4.7
67.05507	18.9
68.99788	3.3
69.03426	24.5
69.07053	6.6
70.06589	25.9
71.04977	7.9
72.08160	9.1
73.02905	6.9
75.60457	1.9
78.71640	1.8
79.05476	5.3
81.03416	25.3
81.07052	14.7
83.04974	1.9
84.04482	3.7
84.08126	10.9
85.02901	59.6
85.03418	3.2
86.09698	23.1
87.00817	24.8
87.04486	1.8
87.10043	1.7
91.03947	2.5
91.05468	5.7
93.07033	5.2
95.04939	6.6
95.08603	9.2
96.08142	4.4
97.02881	40.5
97.06528	3.3
99.04460	16.3
104.10736	5.4
105.01863	19.3
105.07007	2.6
107.04935	3.2
107.08590	3.1
108.04459	3.1
108.08099	2.2
109.02872	30.6
109.06470	2.5
109.10146	41.9
110.07156	2.7
110.09669	5.1
117.01826	3.6
119.04964	2.4
119.08582	6.8
120.08102	17.9
121.08408	1.9
121.10135	3.8
123.04401	2.5
125.05957	5.9
126.05515	2.3
127.03912	41.8
129.01836	3.4
129.10225	6.4
130.06511	2.0
131.08545	2.6
135.08051	3.5
136.07553	5.3
137.09602	75.6
138.09108	6.2
143.11736	3.1
145.04955	17.1
145.11496	1.8
147.02898	2.8
147.04317	2.2
152.05667	1.8
155.10654	26.7
159.02872	13.9
165.09102	53.5
165.12737	1.8
166.08624	7.7
183.10155	22.2
184.07399	5.0
187.08525	1.9
187.10782	2.3
201.11205	100.0
213.03943	8.6
219.12263	7.7
231.05008	7.5
275.50842	1.8
301.11496	4.5
303.05035	12.0
303.13504	2.3
304.02264	1.8
304.05322	11.1
313.11661	5.0
395.13361	3.0
466.18512	4.6
466.24863	3.1
467.09436	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	465.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30064	3.8
53.03940	9.1
55.01875	7.9
55.05500	30.6
57.03434	19.0
61.02925	5.5
65.03920	4.3
67.05498	100.0
69.03416	8.3
69.07063	26.8
70.32642	14.8
71.01349	6.8
71.04977	7.7
79.05487	89.2
79.05954	4.8
79.79192	3.5
81.03413	57.7
81.07051	78.3
83.04976	24.1
83.08616	25.5
84.96013	3.2
85.02904	30.3
85.06530	8.0
91.03988	4.0
91.05475	58.6
93.07039	83.7
95.04962	80.5
95.08596	34.5
97.06530	20.8
97.10157	17.1
105.07032	30.9
107.04971	18.7
107.08596	44.5
109.06506	19.2
109.10177	21.3
111.04408	4.4
111.08067	12.6
111.95027	3.6
116.74889	3.3
117.07016	17.9
119.08558	25.4
121.06508	10.9
121.10103	18.0
123.08063	6.2
123.11735	7.5
125.09629	6.7
128.99329	3.6
129.06990	15.6
131.08542	17.1
132.08928	3.8
133.10098	25.2
135.08072	8.6
135.11685	63.1
143.08603	4.2
145.10095	22.5
147.08051	7.4
147.11690	18.6
149.09607	4.9
149.13196	4.9
149.47081	3.3
157.10123	15.3
159.08080	3.8
159.11758	5.1
161.09633	3.8
163.11185	13.2
165.12692	5.2
169.10124	3.7
173.13184	3.9
174.98669	3.6
175.11194	16.7
175.12639	3.3
177.12744	6.3
181.12216	9.4
183.11795	3.8
187.11194	7.0
193.12244	52.5
211.13278	58.2
219.13754	5.0
223.13310	7.0
229.14389	5.6
255.15724	7.3
267.15808	11.2
303.05020	11.8
329.21225	13.1
373.23782	20.1
403.24847	4.6
421.25610	7.4
447.27347	18.6
465.28604	83.5
465.78391	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	465.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01697	0.6
53.03949	0.7
55.01867	10.3
55.05504	20.2
57.03176	0.9
57.03433	9.1
57.07069	9.5
57.93209	0.6
67.05492	9.4
69.03465	0.7
69.07060	26.0
69.56741	5.4
71.08621	5.4
73.02914	6.6
75.04459	0.6
79.05481	5.3
81.07047	8.9
83.04956	1.5
83.08135	1.4
83.08611	21.7
85.10165	1.8
91.05463	1.6
93.07039	6.2
95.08604	7.2
97.06498	3.5
97.10155	12.7
98.98456	52.1
107.08590	3.1
109.10141	3.1
111.08059	1.8
111.11691	3.1
116.99496	1.7
121.10139	6.1
122.27261	0.6
123.11703	1.5
129.05460	3.6
135.11697	3.4
136.99950	4.0
137.13214	0.7
149.13208	1.6
155.01022	42.3
163.14806	0.9
193.02625	1.7
211.03638	1.2
219.21077	2.0
229.04712	2.2
235.96973	0.7
237.22110	10.4
255.23289	1.4
311.25769	100.0
312.26074	2.4
391.22189	0.8
404.81711	0.7
409.38135	0.7
447.24942	13.1
451.96176	0.7
465.33911	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	465.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05496	1.9
56.05017	1.6
56.96560	2.5
57.03422	1.6
59.13912	0.9
60.04536	1.4
61.02913	2.1
67.05494	4.1
69.03419	4.9
69.07051	2.9
70.06590	25.0
70.06986	1.4
70.38611	1.8
70.39004	1.9
71.01365	1.1
71.04975	3.2
71.06896	1.1
72.08157	7.2
72.93786	0.9
73.02886	1.1
74.06078	1.3
79.05504	2.6
81.03411	4.4
81.07046	2.9
82.06569	0.9
83.04954	1.5
83.08595	0.9
84.04496	3.5
84.08132	8.5
85.02892	6.4
85.06559	2.2
86.06076	1.3
86.09709	6.4
87.04471	1.1
89.03887	0.9
91.05464	5.1
93.07030	3.4
94.06565	2.9
94.72102	0.8
95.04959	3.3
95.08582	2.6
96.04450	1.0
97.02899	3.6
97.06515	1.4
98.97582	2.0
103.05470	1.3
105.07032	2.1
106.06557	1.9
107.04963	1.3
107.08562	2.2
108.04495	1.1
109.02896	2.5
109.06503	1.7
110.07166	2.7
110.09657	1.2
111.04459	1.3
112.07654	1.2
115.88639	0.9
116.07092	1.6
116.98618	3.5
117.07031	1.0
118.06535	1.1
119.04943	3.6
119.08582	2.5
120.08105	9.0
121.06484	2.2
121.10123	1.7
122.06030	2.8
123.04410	0.9
123.08073	1.3
124.03944	1.4
124.07565	0.9
127.03902	4.2
129.10243	3.8
130.06473	1.3
131.04909	1.6
131.08531	1.2
132.08105	2.7
133.10120	1.0
134.06029	3.1
134.99614	1.5
136.07574	3.4
137.02214	0.9
137.05995	2.6
138.05571	1.1
138.09097	1.5
139.07524	2.6
140.07071	1.9
142.08650	1.1
144.13853	2.5
145.10095	1.4
146.06038	3.3
147.04393	6.6
147.11671	1.3
148.07574	5.9
149.06012	1.2
149.09618	1.9
151.07555	1.3
152.07047	3.0
158.06049	1.1
160.07571	2.3
161.01195	1.1
161.06024	1.2
162.05498	7.6
163.03880	1.2
163.07570	1.5
163.11188	2.2
164.07011	1.6
166.08638	2.4
168.06532	1.5
172.07626	0.9
174.07898	1.8
174.09193	1.5
175.08731	1.6
175.11180	1.9
176.07071	2.9
177.05444	2.2
178.08630	2.7
186.09120	2.1
188.07092	2.8
190.08644	1.9
191.10643	2.3
194.08136	4.5
198.09206	1.6
199.08687	2.7
201.10237	3.3
202.08638	1.6
211.06352	1.4
213.10233	2.7
214.06720	3.6
214.08635	2.6
214.10999	3.5
215.08141	1.8
215.11749	6.1
218.08058	1.6
219.01741	1.3
223.06430	3.4
225.10330	2.4
227.08134	2.8
227.11684	5.5
228.12511	1.2
229.09677	4.8
229.13402	2.7
234.99016	1.5
235.11819	2.0
237.02817	1.6
239.11780	3.3
241.07533	2.0
241.09743	3.3
241.13284	1.9
242.08237	1.2
242.10536	2.9
243.11249	3.5
246.11443	1.2
251.11572	1.4
253.09535	1.0
253.13364	1.9
255.11263	9.5
256.12021	2.2
257.12839	3.8
259.10764	2.1
261.12515	1.2
263.13876	3.5
265.07474	1.1
267.11353	1.8
267.19513	2.0
269.09317	1.8
269.12860	5.2
271.14194	1.2
273.12268	3.3
274.13123	1.5
275.13943	2.9
281.12854	3.4
283.10950	2.3
284.11728	1.1
285.12408	3.1
287.10608	1.6
287.13904	6.0
297.12344	6.6
298.13083	2.5
299.13892	13.5
301.11893	2.9
302.12561	3.3
303.05008	9.0
303.13309	9.3
303.22867	1.8
309.12399	1.4
311.13992	1.1
313.11926	1.5
315.13361	31.7
316.14130	17.1
317.14664	3.8
325.11859	2.4
327.13312	2.1
329.15137	1.9
334.38391	0.9
337.11591	1.1
337.15457	1.8
339.13351	1.1
343.13000	4.5
345.14432	1.8
351.13452	1.2
355.16541	2.6
357.14246	3.1
365.15039	1.2
367.10703	2.6
369.14767	1.6
373.13904	1.2
374.14993	1.0
375.15512	12.2
381.14511	1.0
383.16058	3.4
387.15591	1.8
393.14523	3.5
399.15451	11.7
401.17258	2.0
404.18869	1.0
411.15497	10.7
419.18188	2.8
427.12881	8.1
428.13297	1.4
429.16574	38.6
430.17169	1.3
447.17606	73.2
447.25537	2.3
448.17694	1.2
465.18652	100.0
466.18900	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	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03937	0.5
55.01854	0.6
55.05491	0.7
56.05017	0.6
56.96546	0.5
57.03419	0.9
58.93221	0.2
60.04505	0.3
61.02638	0.3
61.02924	4.8
65.03914	0.6
67.05494	0.9
68.99779	0.8
69.03422	1.8
69.07059	0.5
70.06590	6.1
71.01317	0.2
71.04975	0.5
71.06918	0.4
71.59015	0.2
72.08152	2.4
73.02910	1.5
74.06068	0.5
79.05475	0.7
81.03416	2.9
81.07038	0.7
83.04947	0.4
83.08586	0.4
84.04498	1.5
84.08138	4.2
85.02900	6.5
85.06501	0.2
85.08468	0.4
86.06039	0.3
86.09217	0.2
86.09707	3.4
87.10044	0.3
88.03995	0.3
91.03950	3.0
91.05454	1.4
93.03387	0.4
93.07027	0.7
95.04941	0.9
95.06075	0.2
95.08606	0.4
95.95380	0.2
97.02884	3.5
97.06506	0.4
98.97514	0.3
99.04428	0.3
102.05522	0.5
103.05460	0.3
105.03382	0.2
105.06996	0.7
106.02951	0.4
107.04953	0.3
107.08569	0.5
109.02910	1.0
109.06525	0.3
109.10133	0.2
110.05984	0.2
110.07162	1.0
111.00774	0.9
111.04415	0.3
111.08052	0.2
115.05443	0.2
116.07086	0.5
116.98602	0.3
117.06982	0.3
119.04937	1.3
119.08588	0.7
120.08099	2.8
121.02856	1.2
123.04411	0.4
123.08032	0.3
124.03949	0.9
124.07586	0.3
125.09555	0.2
127.03900	1.5
129.10239	2.2
130.05051	0.3
131.04938	0.3
131.08554	0.4
133.10164	0.3
134.99629	0.2
135.04362	0.3
135.07988	0.2
136.07565	1.0
137.01338	0.3
137.02327	4.4
137.03392	0.3
137.05922	0.2
138.09180	0.4
141.10201	0.2
143.11768	0.3
145.04955	1.0
145.06439	0.6
147.04399	2.7
147.11696	0.3
148.04836	0.2
149.02289	0.3
151.03908	0.2
151.07417	0.2
153.01822	4.8
155.04875	0.3
157.10135	0.5
161.05960	0.4
162.05585	0.4
163.03940	0.7
165.01837	2.3
166.02629	0.4
173.05957	0.7
173.93698	0.2
174.09145	0.3
175.11136	0.2
177.01958	0.2
177.05482	0.7
181.08560	0.3
183.02879	0.9
183.04330	0.4
187.03879	0.4
193.12241	1.7
194.08173	0.2
201.05441	1.9
205.05016	0.3
212.09430	0.4
213.10356	0.3
215.03452	0.3
227.11929	0.3
229.04947	5.5
237.25302	0.2
237.89890	0.2
239.11838	0.3
241.13350	1.2
247.05962	0.9
253.13388	0.2
255.11221	0.5
257.04477	3.0
267.11252	0.3
267.15863	0.7
274.04730	0.7
275.05338	0.3
285.03925	1.3
285.12192	1.1
285.16754	0.4
293.09143	0.2
299.13898	0.3
303.04971	100.0
304.05392	2.1
307.10709	0.2
315.04971	2.1
315.13315	0.7
315.16782	0.3
316.14124	0.4
327.04861	0.5
333.18027	0.9
341.06592	0.5
345.05826	1.7
369.06094	1.2
385.13998	0.4
397.10056	0.3
399.07043	0.2
399.15720	0.3
411.06924	0.4
429.07840	0.4
429.16733	0.5
437.19220	0.3
447.09113	0.6
447.18063	1.5
447.26501	0.3
465.10681	0.9
465.17926	3.7
465.27756	0.4
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	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01858	0.3
55.05490	0.2
57.03437	0.7
61.02922	6.8
64.85623	0.1
65.03922	0.3
67.01849	0.1
67.05486	0.2
68.99783	0.9
69.03073	0.1
69.03423	1.6
69.07036	0.1
69.79051	0.1
70.06594	0.7
71.01356	0.1
71.04972	0.1
71.59807	0.1
72.08150	0.8
73.02913	1.7
79.05484	0.2
81.03408	1.0
81.07052	0.2
83.06076	0.1
83.08617	0.1
84.04490	0.2
84.08132	0.5
85.02899	6.2
86.06071	0.1
86.09709	1.3
87.04445	0.2
91.03948	3.7
91.05466	0.4
93.03392	0.2
93.07045	0.1
95.04974	0.5
95.08564	0.1
97.02886	3.4
99.04444	0.3
101.02362	0.3
103.05447	0.1
105.07020	0.2
107.04915	0.1
107.08551	0.1
107.09974	0.1
109.02860	0.8
110.07152	0.3
111.00798	1.2
111.04436	0.1
115.03928	0.3
116.98541	0.1
117.06985	0.2
119.04946	0.1
119.08543	0.1
120.08100	1.4
121.02853	1.4
123.04385	0.4
127.03911	1.2
128.06210	0.1
129.07088	0.1
129.10228	0.3
131.04910	0.2
133.02785	0.1
135.04398	0.4
136.07556	0.2
137.02335	4.5
137.03377	0.2
137.05995	0.1
138.09103	0.1
145.02853	0.1
145.04950	0.7
145.06483	0.3
145.86165	0.1
147.04424	0.2
149.02333	0.5
151.03880	0.1
153.01819	5.3
155.04881	0.3
157.06493	0.1
159.04442	0.2
161.05969	0.5
163.03893	0.8
164.07007	0.1
165.01822	2.7
166.02603	0.3
167.03424	0.1
171.02922	0.2
171.04361	0.1
173.05946	0.7
177.01837	0.2
177.05536	0.1
179.03362	0.2
183.02873	1.1
183.04424	0.4
187.03931	0.5
187.10867	0.1
191.03403	0.2
191.07111	0.1
193.12151	0.1
195.02873	0.3
201.05444	2.4
205.04958	0.3
205.11888	0.1
207.02834	0.2
211.03935	0.2
211.13313	0.1
213.05473	0.2
215.03400	0.2
219.02937	0.2
219.06503	0.4
219.11426	0.1
226.46954	0.1
228.04202	0.2
229.04935	5.9
233.16586	0.2
235.12125	0.1
239.03404	0.2
246.05182	0.1
247.06026	0.8
257.04422	3.5
261.15936	0.3
274.04742	0.9
275.05496	0.3
285.03931	1.6
285.12439	0.1
285.17004	0.1
299.05386	0.1
303.04965	100.0
304.05316	1.4
315.04901	1.2
327.05029	0.1
341.06641	0.2
345.06039	0.8
355.08441	0.1
369.06116	0.7
381.05981	0.1
393.06717	0.1
399.07150	0.1
429.07996	0.3
447.09152	0.4
464.25845	0.2
465.13342	0.5
465.26456	0.3
473.20078	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	465.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
54.82552	0.2
54.86198	0.2
55.01848	0.2
55.05507	0.3
57.03421	0.7
61.02922	6.5
65.03931	0.2
67.01877	0.2
67.05491	0.7
68.99780	0.9
69.03426	1.1
69.07054	0.2
70.06589	1.8
71.01330	0.2
71.04996	0.2
72.08147	0.8
73.02910	1.6
74.28355	0.2
79.05492	0.4
81.03410	1.2
81.07059	0.5
82.06589	0.2
83.05002	0.2
83.06084	0.2
84.04508	0.4
84.08135	1.3
85.02898	5.6
86.06059	0.2
86.09708	1.7
87.04464	0.2
88.03983	0.2
91.03955	3.4
91.05463	0.5
93.03419	0.2
93.07047	0.4
95.04944	0.7
95.08623	0.3
97.02879	3.1
99.04422	0.3
105.03392	0.3
105.06996	0.4
107.08559	0.3
109.02854	1.0
110.07142	0.3
111.00803	0.8
111.04481	0.3
111.62047	0.2
115.03910	0.4
117.06989	0.2
119.04900	0.2
120.08103	1.3
121.02852	1.1
121.10081	0.2
123.04399	0.5
123.08047	0.4
127.03893	1.2
129.10236	0.5
131.08510	0.2
135.04381	0.2
136.07559	0.3
137.02330	3.9
137.09599	0.2
139.07417	0.2
145.04951	0.7
145.06595	0.2
147.04373	0.2
149.02328	0.4
153.01831	4.5
155.04898	0.4
159.05513	0.2
161.06010	0.5
163.03902	0.8
163.11331	0.2
164.07094	0.3
165.01820	2.1
166.02626	0.3
173.05945	0.6
183.02908	0.7
183.04350	0.3
184.84821	0.2
187.03896	0.7
193.12158	0.2
195.02800	0.2
201.05449	2.1
211.04221	0.2
219.06500	0.4
227.08586	0.3
228.04091	0.4
229.04935	5.2
239.01422	0.3
247.05881	0.9
257.04431	3.2
257.12747	0.3
267.00897	0.4
274.04709	0.7
275.05505	0.3
285.03976	1.8
285.12253	0.2
303.04968	100.0
304.05362	1.8
315.05014	1.1
345.05896	1.0
353.11096	0.2
369.05945	0.8
399.07050	0.2
411.06680	0.2
447.08820	0.2
464.26010	0.4
465.10306	0.7
465.26572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
51.59446	0.4
60.27746	0.4
60.57489	0.3
61.02634	0.5
61.02919	6.3
67.05489	0.5
68.99779	0.8
69.03403	1.0
71.52209	0.5
71.52551	0.6
73.02905	1.4
79.89361	0.3
81.03398	0.5
85.02425	0.4
85.02897	5.7
91.03962	3.5
97.02896	3.4
99.04463	0.5
111.00795	1.1
121.02842	0.7
127.03916	0.9
137.02321	4.2
145.04962	0.6
149.02336	0.3
153.01799	4.1
163.03914	0.6
165.01843	2.1
183.02916	0.7
187.03804	0.3
201.05431	2.4
229.04953	4.9
247.06056	0.6
257.04367	3.2
274.04709	0.8
275.05408	0.4
285.03970	1.9
296.67188	0.4
302.22397	0.4
303.04965	100.0
304.05292	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	464.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
53.50440	0.4
55.01854	1.2
55.05502	1.0
55.26114	0.4
56.05027	1.2
57.03429	0.9
60.04502	1.0
61.02910	0.8
62.75269	0.4
63.27459	0.3
65.03940	3.7
67.05502	1.0
69.03433	4.1
69.07059	1.1
69.99497	2.3
70.06586	9.3
71.04975	1.0
72.08140	3.0
73.02901	0.7
73.49764	0.5
74.00636	0.5
74.06077	0.9
79.05503	0.8
80.05013	0.5
81.03413	8.5
81.07031	0.9
83.04969	0.8
84.04501	2.1
84.08143	3.7
85.02895	5.4
86.09700	3.9
87.00836	0.5
91.05471	5.2
93.07047	1.1
95.04961	7.4
95.08612	0.5
97.02889	6.0
97.06513	0.9
98.06055	0.8
99.04440	1.4
102.05539	0.9
103.05419	0.8
105.01841	0.7
105.07022	0.8
107.04939	5.8
109.02870	3.9
109.10133	0.6
110.07159	1.8
111.04433	3.2
111.08074	0.6
116.07056	0.7
116.15133	0.5
116.98605	0.5
119.04929	9.1
119.08559	0.5
120.04460	5.1
120.08105	2.9
121.02856	100.0
121.06468	1.4
122.03232	0.7
123.04417	10.2
123.08070	0.7
124.03944	1.1
125.04718	1.7
125.05713	0.4
126.05465	0.4
127.03891	3.8
128.07047	0.7
129.10226	2.6
130.04961	0.7
133.10097	0.5
136.07561	19.0
137.05975	0.7
139.03891	12.8
140.98572	0.4
145.02802	0.8
145.05026	0.5
146.06029	0.7
147.04396	8.2
147.05513	0.7
147.07739	0.5
148.03894	1.0
149.05962	1.1
150.96901	0.6
152.06976	0.6
152.32692	0.4
153.05527	0.5
159.07869	0.5
160.07582	0.9
163.03891	0.7
163.11136	1.1
165.05472	15.2
165.06868	0.9
166.04962	8.4
166.08652	0.6
177.05495	1.3
178.08609	1.3
179.07225	0.5
182.08105	23.6
192.46199	0.5
216.13156	1.2
218.08107	0.4
224.09203	1.6
234.98961	0.7
236.18578	0.5
244.09706	1.1
245.25842	0.6
265.07019	8.8
272.09161	1.6
278.13467	0.4
283.08090	3.6
284.18463	0.9
290.10361	0.8
303.04816	0.6
305.95114	0.5
308.11060	0.8
321.06366	0.5
334.83542	0.4
410.11926	0.6
428.13538	0.6
446.14920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.2
54.06347	1.2
54.22753	1.3
55.01862	5.7
55.05504	21.1
56.09560	1.3
56.96553	3.1
57.03431	7.2
57.07064	2.5
59.60950	1.4
61.02917	5.5
63.08367	1.3
64.25812	1.3
65.03925	5.0
67.05497	70.4
69.03413	5.9
69.07063	24.4
69.33876	2.0
69.34283	12.9
70.06570	4.8
71.01360	1.5
71.04987	8.3
73.02910	3.7
75.61900	1.8
79.05484	52.2
81.02979	1.6
81.03413	18.9
81.07047	100.0
82.07353	1.5
83.04978	8.9
83.08605	20.8
84.08150	2.8
85.02909	8.0
85.06517	5.0
86.09685	2.3
91.03944	3.9
91.04903	2.4
91.05468	46.5
93.06462	3.2
93.07034	56.3
93.32951	1.4
94.07372	1.5
95.04959	19.8
95.08595	33.0
95.09160	2.5
97.02850	6.6
97.06533	12.5
97.10155	5.1
98.20770	3.0
99.04447	2.6
99.08069	2.9
103.05460	2.0
105.04514	1.4
105.07024	25.8
107.04945	3.8
107.08581	42.5
109.02879	2.9
109.06492	7.2
109.10139	17.5
111.04427	2.3
111.08105	7.7
116.98669	1.9
117.07014	11.9
119.08559	12.2
121.06500	6.2
121.10123	20.4
123.04423	2.1
123.08073	5.5
123.11679	9.0
125.09628	5.2
127.03844	2.3
129.06987	4.9
131.00104	1.5
131.08553	19.9
133.06473	1.6
133.10114	33.2
134.99608	1.6
135.08031	3.9
135.11674	15.5
137.05952	1.8
137.09605	3.4
139.11186	2.0
140.58670	1.4
141.07008	1.4
142.07742	1.9
143.08539	5.7
145.10098	10.2
147.04398	1.6
147.08043	2.0
147.11688	7.9
149.09596	4.9
149.13231	25.1
151.07518	2.6
151.11179	7.8
155.08478	4.0
157.10098	5.6
159.11668	20.4
161.09605	3.4
163.11182	3.7
165.09067	2.7
167.14195	1.7
167.21338	1.3
169.10077	3.2
171.11716	3.8
173.13269	2.1
175.11153	4.0
177.12762	5.3
179.08617	1.7
179.10611	1.6
183.11615	3.5
185.13239	2.9
189.09152	2.0
189.12776	1.5
191.07114	1.5
193.12239	4.7
195.11865	2.5
195.13744	11.9
197.13260	1.9
199.14896	2.4
209.13318	2.3
211.14915	1.7
213.14844	3.0
215.14386	1.9
219.13733	1.6
219.17241	1.4
240.15996	1.7
240.56812	1.3
249.14792	2.1
253.14326	6.3
259.09897	1.6
267.08984	2.9
267.15875	2.0
279.80475	1.5
285.10202	6.5
301.16339	1.8
301.21289	2.6
353.24695	5.0
356.15469	1.5
371.25818	6.0
389.27002	2.9
443.63065	1.5
445.30154	9.0
463.30856	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	463.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60605	1.7
53.03939	6.3
55.01866	8.9
55.05510	21.8
56.96562	5.0
57.03426	9.3
61.02916	2.6
65.03925	2.9
67.05502	74.4
69.03417	8.3
69.07066	19.3
70.06591	4.7
71.04982	8.4
71.60238	3.7
72.08162	2.3
75.44797	2.1
79.05494	40.4
81.03413	100.0
81.07052	59.2
83.04965	13.6
83.08606	19.7
84.08105	2.1
85.02917	8.0
85.06545	5.8
86.09692	3.0
91.05475	63.1
93.07041	34.3
95.04962	37.8
95.08588	18.2
97.02892	8.4
97.06531	8.9
97.10152	5.3
98.97585	6.6
99.04459	4.8
105.07033	54.4
107.04973	11.2
107.08592	45.3
109.02849	3.5
109.06508	10.6
109.10147	67.6
111.04408	3.2
111.08101	7.3
113.06013	2.9
115.19557	2.1
116.98646	6.0
117.07015	7.2
119.08569	18.6
121.06496	6.6
121.10125	12.6
123.04441	2.9
123.08064	3.6
123.11703	12.0
125.09606	5.7
126.92838	2.1
127.07550	4.1
127.11161	2.8
129.07022	12.0
131.08562	16.2
132.67645	2.4
133.06502	2.9
133.10126	85.4
135.08034	4.0
135.11668	13.8
137.09627	2.8
141.06984	2.7
143.08556	4.7
145.10143	9.1
147.08040	3.4
147.11693	8.9
149.09647	4.9
151.11185	42.1
157.10150	8.7
161.09631	2.8
161.86646	1.9
163.11188	13.1
169.12225	12.5
175.11177	10.4
177.00735	4.0
179.10712	5.6
181.12239	4.5
193.12239	33.9
204.01642	2.3
219.13756	3.2
221.71352	2.3
222.46233	2.2
227.12767	16.5
245.04726	5.6
253.14343	49.2
267.09021	2.3
277.21613	3.1
329.68954	3.1
330.19064	3.9
338.69226	4.3
343.22607	3.9
351.25089	4.2
365.16248	3.8
371.22107	6.0
383.17429	3.2
389.23087	5.3
445.25516	13.0
463.12979	2.8
463.26654	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08055	3.5
53.03935	8.1
55.01863	8.2
55.05511	34.8
56.96576	8.1
57.03431	16.4
61.02918	10.8
65.03934	7.1
67.05501	96.6
69.03436	5.8
69.07072	32.5
69.97665	16.6
71.04973	9.4
71.08624	43.6
79.05486	68.3
81.03416	22.4
81.07054	100.0
83.04980	13.9
83.08633	19.3
85.02889	6.3
90.25468	3.7
91.05471	51.9
91.43456	3.9
93.07040	73.1
94.07355	4.6
95.04967	18.9
95.08595	42.6
97.02867	7.4
97.06509	13.7
97.10188	8.2
99.08096	33.8
105.07040	38.8
107.04933	13.9
107.08595	52.5
109.10138	25.9
112.86524	3.7
113.00006	25.2
114.61459	3.7
117.07047	6.3
119.08579	25.5
121.06483	7.7
121.10142	29.9
123.11702	8.7
129.07042	6.5
129.78175	3.9
131.08566	12.6
133.10112	27.7
135.08023	4.7
135.11697	33.1
137.09663	4.5
141.09073	4.2
143.08580	5.7
145.10100	13.9
147.11699	12.6
149.09595	4.7
149.13257	16.3
151.11183	14.6
159.11707	11.0
161.13264	15.9
163.11203	13.1
165.12776	4.5
169.02669	8.6
173.13115	4.9
177.12827	8.8
179.14301	71.9
195.13800	5.3
219.13809	5.6
227.12767	9.1
253.14545	4.4
259.20465	4.6
270.13034	4.4
277.21643	48.7
285.10181	4.2
288.48892	4.2
351.25247	86.8
371.25610	5.0
463.26401	6.5
463.30273	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	462.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52000	0.3
56.05016	0.7
57.89345	0.4
58.34455	0.3
60.04521	0.4
67.67641	0.3
69.07049	0.9
70.06584	11.2
71.59311	0.5
72.08152	1.7
74.06059	0.6
76.60000	0.3
79.05477	0.5
81.03400	0.5
81.07060	0.4
83.06104	1.3
84.04495	5.4
84.08139	2.4
85.02894	0.7
86.06041	0.4
86.09707	4.7
87.10025	0.8
89.34133	0.3
91.05479	1.7
93.07034	1.1
95.04958	0.7
98.06005	0.6
101.07139	1.5
102.05533	0.4
103.05440	2.9
107.04944	0.6
110.06035	1.1
110.07155	0.6
113.82281	0.4
116.07082	18.7
117.03405	0.5
118.06585	0.4
119.04930	0.9
120.08097	100.0
121.08414	1.1
121.59818	0.3
127.03908	1.1
127.08661	0.4
129.06642	0.3
129.10211	1.2
130.05046	0.5
130.06543	0.5
131.04953	2.0
132.04440	0.5
134.05994	0.4
135.04486	0.4
135.08078	0.4
136.07587	0.6
141.10313	0.5
143.95657	0.4
145.02864	1.4
147.04420	3.0
147.95155	0.5
148.04744	0.4
154.09795	1.8
154.99019	0.6
155.08151	2.3
165.10229	19.4
170.09604	0.5
172.10764	0.9
177.05473	1.9
178.05820	0.8
182.09225	0.6
185.16637	0.3
186.09129	2.6
187.10774	11.9
190.63828	0.3
200.10373	0.9
202.09717	0.6
206.83563	0.4
214.08655	1.5
230.09207	0.4
231.11311	0.7
236.98067	0.4
242.08084	4.6
242.98820	0.5
248.13869	1.2
250.97885	0.9
258.98407	0.7
259.10632	5.2
276.13419	28.1
277.13745	0.7
298.13925	0.5
302.12473	0.9
302.15424	0.5
315.16852	0.5
328.02243	0.5
330.14557	1.3
333.05811	0.6
347.17126	11.5
387.06812	0.8
420.18756	0.6
421.05466	0.7
462.10318	0.6
462.21326	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	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45778	2.4
55.05502	6.0
56.05027	6.4
60.04517	7.1
60.59110	2.3
61.02917	2.6
67.05502	4.9
69.03426	10.2
69.43013	13.0
69.43443	8.5
70.02937	3.0
70.06590	34.9
71.04968	2.7
72.08154	29.9
73.02892	2.8
73.08475	3.2
74.06083	4.6
78.66059	2.6
79.05512	4.8
81.03418	4.2
81.07059	4.6
82.06617	2.8
83.04980	3.9
83.06088	3.6
84.04500	39.0
84.08138	19.9
85.02900	14.4
85.06528	2.7
86.09692	24.4
88.04002	2.9
91.05467	7.8
93.03359	2.5
93.07029	7.1
95.04963	8.3
97.02885	5.4
97.06524	2.9
99.04466	2.3
101.07140	36.0
103.05442	4.0
105.07030	8.9
107.08572	5.0
108.08137	2.7
108.26814	2.5
109.06524	6.1
110.07196	4.6
111.04430	5.3
113.06016	3.1
114.05541	2.8
116.07102	8.9
117.03348	2.5
119.04987	3.5
119.08599	10.2
120.08099	56.8
121.06536	5.2
121.10125	3.5
123.08070	5.6
126.06684	2.6
127.03943	4.4
128.06201	2.6
129.06561	2.4
129.10228	5.9
130.04886	2.5
130.08647	2.5
131.08563	4.1
133.10152	3.0
135.08055	11.6
136.07518	5.8
137.05969	4.4
141.06735	2.4
143.08543	5.4
143.11839	3.5
145.10091	3.7
147.04393	12.0
147.07982	3.8
147.11679	4.7
149.06059	2.6
157.07666	3.4
157.10112	3.4
159.08057	6.8
159.09262	4.1
159.11610	4.3
161.09634	8.0
165.09094	5.9
165.10341	2.5
171.11588	3.5
172.08792	3.1
173.09618	3.9
173.13155	4.8
175.07579	8.7
175.11244	3.3
183.11685	3.4
187.11046	6.4
189.09106	2.8
191.11809	7.1
199.11201	5.9
201.12662	7.4
203.10677	8.1
211.11168	5.7
217.12238	5.3
219.11278	7.1
223.07561	11.6
226.11909	7.5
227.10298	8.9
229.12212	6.8
234.99046	3.8
235.13382	3.3
236.14035	2.6
247.13260	28.7
265.14334	100.0
309.52063	2.5
339.10980	2.4
347.17114	7.3
411.78513	2.6
418.17621	5.6
462.20190	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	462.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.5
51.02366	1.4
53.03943	2.5
55.01855	1.2
55.05497	2.5
56.05031	4.3
56.69704	0.5
56.96555	0.7
57.03417	1.5
58.06576	0.6
60.04509	1.7
61.01124	0.6
61.02894	0.5
65.03938	2.2
65.45689	0.6
67.05493	1.6
68.05019	1.0
69.03424	10.3
69.07068	1.1
70.02919	0.6
70.06586	22.8
71.05002	1.1
71.06895	1.1
72.08150	4.1
73.02905	1.3
74.06061	1.5
78.03445	12.7
78.04707	0.5
78.77179	0.5
79.05465	1.6
80.05004	2.5
81.03406	17.5
81.07044	2.2
82.06564	0.8
83.04968	0.5
83.06072	0.9
83.08617	1.6
84.04495	4.6
84.08136	17.0
85.02891	8.7
85.08458	0.7
86.06048	3.4
86.09694	5.1
88.03973	2.0
89.03904	6.4
91.05454	5.4
93.04556	0.6
93.07027	1.6
95.04951	1.4
95.08575	1.6
96.04485	8.1
97.02881	6.7
97.06522	1.4
99.04438	3.1
100.11241	4.7
102.05504	1.6
103.05521	0.6
104.05302	0.8
104.73553	0.6
105.07027	2.3
106.02905	54.0
107.03255	1.0
107.04947	1.1
107.08601	1.2
109.02866	11.0
109.06516	1.0
109.10142	0.9
110.07180	2.5
111.04440	4.3
112.11183	0.5
115.03842	0.5
117.03369	20.2
119.04905	3.3
119.08540	1.0
120.08117	1.7
121.02833	1.2
121.06482	0.9
121.10165	0.8
123.08100	0.6
123.25648	0.6
124.03940	100.0
125.04358	1.0
125.05974	5.5
126.05569	0.5
126.09122	0.5
127.03888	6.5
128.07043	0.9
129.10223	5.5
131.08572	1.2
133.10098	0.5
134.03590	0.8
135.04411	2.1
136.07588	2.3
137.05931	1.2
137.09641	0.5
143.08580	0.5
143.11809	0.5
145.02829	47.3
146.03183	0.7
147.04414	0.6
149.05963	9.5
151.07529	22.3
152.07918	0.5
153.05446	12.7
155.11954	0.5
157.09756	0.7
161.09575	0.6
162.03162	1.5
163.03934	1.2
164.07085	0.7
166.04977	1.2
173.13138	0.6
177.05452	67.2
178.05840	1.2
179.03346	0.5
182.15427	1.4
186.05444	0.9
187.05739	0.6
195.06516	8.1
209.16469	0.6
210.14854	1.7
217.08144	0.7
227.08232	0.8
232.06187	0.9
239.20473	0.5
243.93723	0.5
250.07086	23.8
268.08124	53.3
269.08548	1.6
276.72867	0.6
322.11365	0.6
389.80807	1.1
444.12979	4.6
444.25052	0.6
453.34119	1.0
462.13766	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	460.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23389	1.1
55.05514	9.2
57.05808	1.2
63.14206	1.1
65.41600	1.0
69.03424	1.7
70.76503	2.4
72.08148	100.0
73.19803	1.2
79.20782	1.3
79.77777	1.1
85.02898	4.0
91.05440	1.0
107.39000	1.1
116.98522	1.1
118.08643	75.9
122.99144	1.3
127.03896	1.7
129.46123	1.1
131.00166	1.1
143.12299	1.1
145.04935	1.6
147.04547	1.2
149.01219	2.1
226.26295	1.2
324.07092	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	461.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.3
53.03939	9.6
55.01860	12.2
55.05505	23.4
56.05059	1.5
57.03425	9.6
57.07064	3.7
59.04990	3.8
59.13651	1.5
61.02919	8.6
61.33435	1.4
67.05492	11.8
68.99780	4.7
69.03426	67.0
69.03807	3.2
69.07063	50.7
70.06586	7.7
70.10123	2.9
70.10530	5.4
71.01331	1.6
71.04987	13.5
72.08138	1.5
73.02912	12.6
79.05482	8.7
81.03412	57.1
81.07051	32.1
83.04975	17.0
83.08610	9.5
84.08134	4.2
85.02898	100.0
85.06534	18.7
86.09703	4.7
87.00826	35.0
87.04463	3.6
91.03953	2.8
91.05486	4.5
93.07020	15.6
95.04986	4.5
95.08598	40.6
97.02891	38.7
97.06525	10.7
97.10165	13.1
99.04450	20.8
99.08087	31.1
100.11214	1.5
101.06007	2.7
103.03940	2.0
105.01858	30.2
105.07020	6.3
107.08587	26.0
109.02873	55.9
109.06491	1.6
109.10152	17.3
111.04433	3.1
111.08086	4.5
111.11713	9.9
113.09639	12.8
115.03923	2.7
117.01855	7.0
119.08564	4.0
121.06549	2.0
121.10137	27.1
123.08044	1.9
123.11711	8.7
125.09615	11.4
127.03908	92.3
127.07524	1.4
129.01848	5.2
133.10107	4.6
135.08031	2.0
135.11674	16.8
137.05945	3.9
137.09578	3.0
137.13257	18.4
139.11185	9.9
145.04951	34.2
145.10101	2.3
147.02893	7.2
147.06567	2.0
149.13274	4.0
151.07652	2.4
151.14856	6.9
153.12733	22.0
157.12201	1.6
159.02885	34.2
159.11694	1.6
160.27611	1.7
163.11171	2.2
165.09073	2.9
173.13165	1.5
175.14850	3.0
177.03975	1.9
177.16376	70.4
189.03842	4.0
192.06425	1.5
195.17441	70.7
213.03984	4.0
213.18480	58.1
231.04955	20.8
237.18454	2.0
249.06201	2.0
461.24222	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	459.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	24.9
57.07058	17.8
67.05490	48.3
69.03405	20.1
69.07049	56.6
70.73786	33.4
71.04919	11.9
79.05470	46.5
81.03401	40.6
81.07049	59.7
83.08607	30.6
91.05465	52.3
93.07031	76.6
95.04961	15.1
95.08592	67.8
97.06519	11.6
105.07027	60.2
107.08605	79.4
109.10126	76.2
111.08064	20.4
119.08571	60.1
121.10159	74.4
123.11725	23.2
125.09590	19.5
133.10121	45.7
135.11679	47.7
145.06448	22.6
145.10129	41.3
147.11647	28.1
149.13260	64.6
157.10078	14.9
159.11682	35.5
161.13182	22.1
163.14706	20.8
167.14240	13.7
171.11668	19.7
173.13225	22.9
175.14816	17.5
185.13252	17.4
187.14856	18.7
201.16394	35.7
203.17967	39.2
215.17809	13.9
227.17732	17.5
233.18977	19.7
269.22668	28.0
336.30402	12.4
381.51483	13.3
385.23947	22.5
393.65936	12.8
418.54865	13.2
423.36240	100.0
432.35941	12.5
437.42621	14.0
441.37134	16.9
459.31638	69.1
459.36612	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	459.3828
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
55.05498	20.0
57.07074	4.9
65.53168	3.9
67.05499	17.7
69.03404	11.3
69.07059	23.0
69.40771	41.9
71.04979	18.3
79.05492	16.6
81.07057	41.9
83.08611	10.8
84.98522	4.2
85.06557	7.2
91.05479	22.3
93.07045	51.1
95.04951	3.6
95.08601	66.5
97.06538	8.5
97.10168	6.8
98.20802	9.9
99.08087	15.1
99.25069	4.6
105.07021	43.8
107.08585	90.0
109.06447	4.6
109.10152	49.8
111.08078	7.8
113.09669	6.5
117.07012	5.4
119.08569	55.7
121.10134	57.7
123.11724	32.8
125.09613	27.1
127.07594	7.7
127.11196	11.5
131.08563	15.1
133.10124	100.0
135.11674	54.2
137.13245	9.2
143.08542	7.9
143.10663	27.1
145.10092	27.9
147.11674	90.6
149.13235	30.0
151.11195	6.3
157.10124	6.4
158.67612	4.3
159.11668	28.3
161.13254	33.2
163.14790	16.1
169.12283	7.8
171.11649	6.9
173.13251	16.8
175.14835	24.3
177.16351	15.3
187.13297	3.8
187.14832	19.0
189.16351	34.9
191.17909	34.3
193.15907	13.2
199.14835	5.6
201.16344	26.4
203.17943	33.8
205.15933	12.0
205.73973	4.4
207.17366	22.8
211.16917	7.6
213.16322	9.7
215.18015	17.6
217.15927	7.6
217.19547	15.1
219.17329	9.2
227.17926	7.1
229.19524	13.0
231.21182	5.5
233.19061	21.8
251.20041	8.3
261.19177	4.9
280.45746	4.8
283.24146	7.4
322.99323	4.7
337.28906	6.5
346.84589	4.8
405.35101	10.0
423.36227	70.8
441.37170	18.7
459.38174	32.4
470.14246	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3828
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.03941	1.7
55.01861	1.8
55.05505	10.3
57.07067	4.4
59.04988	1.7
62.29633	1.3
65.20039	1.3
67.05498	12.4
69.03423	2.6
69.07059	13.9
70.12803	3.2
70.13203	2.6
71.04970	1.3
79.05487	13.5
81.07054	22.8
83.04993	2.7
83.08614	6.2
85.06511	1.4
91.05457	10.4
93.07036	35.2
95.04964	2.3
95.08598	39.1
97.06511	3.5
97.10159	3.0
105.07017	20.9
107.08588	50.4
109.06521	2.8
109.10148	21.4
111.08104	5.2
117.07044	2.1
119.08566	23.9
121.06505	1.3
121.10129	49.1
123.08095	2.2
123.11705	14.8
125.09655	5.0
131.08534	7.4
133.10117	27.3
135.11676	24.1
137.13225	9.8
139.11172	2.9
143.08553	5.2
145.10097	14.4
147.11676	18.5
149.09630	2.2
149.13245	55.6
157.10136	5.9
159.11678	22.4
159.83267	1.5
161.13287	10.4
163.11212	2.1
163.14799	5.1
167.14310	2.8
171.11694	4.7
173.13222	9.8
175.14806	5.9
177.16357	10.0
183.11652	2.3
185.13228	6.4
187.14827	15.5
189.16359	4.2
191.17912	7.6
197.13397	1.9
199.14835	5.5
201.16357	23.5
203.17931	34.2
203.19717	2.4
205.15843	2.2
213.16357	10.4
215.17996	10.7
217.19585	2.0
223.16873	6.9
225.16386	2.2
227.17938	10.2
229.19565	4.0
233.19032	13.8
239.18004	1.7
239.35336	1.2
241.19582	2.9
251.20044	23.8
253.19649	2.6
255.21013	3.2
279.23184	3.8
281.22681	2.1
283.24237	11.6
405.35208	6.9
423.36163	100.0
424.36432	2.8
441.37439	11.7
459.38049	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	459.3103
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
53.03946	5.2
55.01867	5.5
55.05507	25.2
55.27111	2.6
57.03432	9.4
59.04979	3.3
67.05499	64.9
67.14482	2.1
69.03415	3.5
69.07056	17.9
69.62839	19.1
71.04975	5.7
78.08796	2.7
79.05484	36.3
81.03414	28.2
81.07053	68.8
83.04981	6.8
83.08604	13.0
85.02895	3.1
85.06549	3.2
91.05471	45.8
93.07041	37.4
95.04951	18.8
95.08601	36.8
97.02870	2.6
97.06544	3.4
97.10143	13.6
98.20844	3.8
99.04468	3.9
99.08088	60.8
105.07015	31.8
107.04962	13.7
107.08583	43.9
109.06509	7.5
109.10149	100.0
111.08066	9.2
111.11678	2.1
115.05424	3.0
117.07023	12.1
119.04881	4.0
119.08563	33.2
121.06502	8.7
121.10148	18.1
123.08070	8.3
123.11701	3.8
125.09624	10.6
128.06197	5.3
129.07030	17.9
131.04961	5.8
131.08565	26.6
133.06514	4.7
133.10112	30.3
135.07988	5.5
135.11667	10.4
137.09628	15.6
137.95576	2.7
139.07513	6.2
141.06956	5.6
143.08511	16.5
145.06461	20.9
145.10089	25.8
147.08035	6.6
147.11653	19.3
149.09578	5.6
153.09097	4.4
155.08554	10.9
155.10666	45.6
157.06447	4.4
157.10101	21.9
158.07320	4.5
159.08084	7.0
159.11697	10.5
161.09584	4.1
161.13225	4.4
163.11206	4.6
169.10110	8.7
171.08070	8.6
171.11708	11.8
173.09613	33.9
173.13271	11.3
175.11179	11.8
175.14738	13.5
181.10146	5.6
183.11699	7.2
185.09644	3.3
185.13278	11.2
187.11157	4.6
187.14836	8.0
189.11143	3.4
191.10672	22.8
193.10489	3.8
193.12227	18.2
195.11798	5.3
197.13274	8.9
199.11160	4.3
199.14871	7.4
201.16370	4.1
205.12216	3.5
209.13269	4.6
211.14920	5.2
213.12767	5.6
213.16417	5.1
215.14316	9.9
217.57277	2.5
221.13257	2.5
223.11157	3.8
225.16391	2.9
226.13316	2.5
227.14256	3.9
227.17903	6.1
237.12633	3.9
239.14435	2.9
239.17886	7.8
241.19554	16.3
243.13904	3.6
245.15265	2.8
249.18530	3.8
251.17914	10.2
255.13875	2.9
267.17493	4.9
269.18994	16.1
273.14883	8.3
281.15497	2.5
285.18570	5.4
287.19989	10.3
312.20172	2.6
349.21576	10.7
367.22562	23.7
367.26056	2.4
377.28302	5.8
385.23715	25.6
387.27011	2.9
395.25085	5.2
395.26532	4.4
395.29855	18.5
403.24869	4.4
405.27930	7.5
423.29205	19.6
441.24850	3.4
441.30893	14.1
459.27255	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.1
55.01870	6.9
55.05507	25.4
57.03432	6.3
57.07049	1.0
59.04972	1.3
65.03922	2.6
67.05503	35.4
68.18237	0.9
69.03423	5.7
69.07063	8.1
70.06573	1.0
70.28294	4.3
71.04985	4.1
78.35606	0.9
79.05490	40.2
81.03416	78.5
81.07055	26.4
83.04982	7.8
83.08615	24.3
85.02891	1.7
91.05477	33.3
93.07035	21.9
95.04967	31.8
95.08608	14.3
97.02881	3.1
97.06546	4.5
97.10170	15.0
99.08112	1.1
103.05443	1.5
104.70291	0.9
105.04401	0.9
105.07030	27.7
107.04953	18.2
107.08589	12.9
109.02891	1.2
109.06516	7.2
109.10136	6.6
111.04416	1.7
111.08073	7.4
113.85405	0.8
115.05447	4.3
116.10765	1.0
117.06993	8.5
119.04958	2.6
119.07713	0.8
119.08569	18.2
121.06490	12.7
121.10149	8.9
123.04396	4.4
123.08053	5.8
123.11700	1.6
125.08772	1.4
125.09620	11.3
128.06186	3.1
129.06128	1.6
129.07002	17.2
131.04924	5.9
131.08556	19.1
133.06491	7.7
133.10147	7.9
135.08047	5.2
135.11696	2.7
137.05974	1.7
137.09608	3.0
141.06998	4.1
142.07796	3.1
142.85533	1.0
143.08551	8.2
145.06476	29.1
145.10109	5.9
147.04390	1.9
147.08040	8.5
147.11670	9.1
149.09656	6.3
151.07642	1.6
151.11174	1.4
153.09106	2.0
153.12772	1.8
155.08549	4.5
157.06476	6.4
157.10120	14.5
159.08101	5.4
159.11671	2.1
161.05981	2.7
161.09648	3.7
161.55269	0.9
163.07379	0.9
163.11160	4.3
165.09081	4.1
165.12808	1.7
167.08572	2.1
169.06474	2.3
169.10191	4.8
171.08099	6.2
171.10315	1.2
171.11720	3.9
173.09633	3.2
175.11169	12.5
177.12621	1.4
181.10146	1.9
183.08116	2.2
183.11722	2.0
185.09598	3.8
185.13260	2.7
187.11188	2.8
187.14850	1.1
189.11224	7.1
189.12755	2.0
193.12238	46.2
195.08014	1.8
195.11661	5.0
195.66032	0.9
197.09622	2.0
197.13268	2.7
199.11169	3.6
203.14323	1.4
205.12251	1.5
207.11801	1.5
209.09708	1.9
209.13087	1.2
211.11192	1.9
211.13167	1.5
213.12779	2.9
215.14334	3.5
217.12250	1.4
219.11792	1.1
221.11641	1.2
223.11336	1.4
225.12779	3.0
227.14386	3.9
229.15807	1.1
231.13800	2.4
233.13278	1.2
233.15410	3.7
237.12749	4.2
243.13777	1.3
249.14923	3.2
251.14250	1.3
253.16014	1.0
255.13828	6.8
257.15344	1.7
258.18457	1.2
269.15302	1.4
273.14844	18.0
273.17776	1.6
275.16428	1.2
281.15540	1.3
283.16983	1.5
287.16479	2.1
299.16489	1.5
311.16385	1.6
311.23825	1.2
321.22134	2.3
325.17963	1.2
331.20645	1.6
339.23239	7.7
341.21225	1.2
349.21582	17.9
357.24142	5.7
361.24097	1.3
367.22714	41.2
368.22989	1.6
385.23730	37.6
386.24231	1.5
403.24841	9.5
405.24377	2.3
423.25217	1.9
441.26373	6.0
459.27420	100.0
460.27896	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	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
54.85581	1.0
55.01870	7.1
55.05262	1.7
55.05509	29.1
57.03428	5.4
58.91585	1.0
62.42746	1.0
65.03927	1.9
67.05500	33.9
69.03414	3.1
69.07072	5.6
69.07362	1.1
69.60165	1.8
69.60572	7.0
71.04984	3.7
75.66136	1.3
79.05488	37.0
81.03415	80.5
81.07047	25.9
83.04980	6.4
83.08621	22.0
85.02901	1.4
91.05478	33.9
93.07034	19.7
95.04960	25.4
95.08606	12.4
97.02875	2.2
97.06520	4.9
97.10165	16.7
103.05486	1.4
105.07028	25.8
107.04954	16.5
107.08589	17.2
109.06519	5.8
109.10146	9.6
111.04379	2.1
111.08066	7.0
115.05453	4.4
116.06173	1.1
117.07010	10.4
119.04916	2.9
119.08579	17.6
121.06488	12.0
121.10151	7.0
123.04408	2.7
123.08088	6.2
123.11698	1.6
125.05988	2.1
125.09613	11.1
128.06221	3.1
129.07004	16.3
131.04941	5.6
131.08566	16.8
133.06490	10.0
133.10130	7.7
135.04425	1.2
135.08038	4.7
135.11630	2.2
137.48247	1.2
141.06984	3.2
142.07791	3.1
143.08537	8.2
144.05672	2.7
145.06479	26.6
145.10126	7.0
146.62158	1.2
147.04407	3.3
147.08035	8.5
147.11690	10.0
149.09628	7.2
151.07523	2.8
153.07130	1.2
153.09062	2.6
155.08508	4.7
157.06490	5.3
157.10118	12.5
159.08089	5.4
159.11676	2.6
161.05962	4.2
161.09583	1.9
163.11136	2.9
165.08995	1.3
165.12737	1.8
167.08597	2.7
169.06573	2.9
169.10130	4.4
171.07967	5.6
171.11716	4.2
173.09630	2.4
175.11168	12.7
179.08583	2.1
181.06526	1.3
181.10156	3.3
183.08110	2.8
183.11810	1.3
185.09607	3.5
185.13202	2.7
187.07561	1.8
187.11284	2.5
187.14833	1.5
189.11206	7.1
189.12781	2.9
191.10567	1.3
193.12234	46.2
195.08116	2.3
195.11653	5.6
197.09663	1.8
197.13283	4.1
199.11198	3.2
203.14348	1.6
205.12173	1.8
211.11250	2.3
211.13083	1.7
213.12688	3.1
215.14359	3.6
223.11218	1.6
223.13181	1.6
225.12683	2.0
227.14346	4.1
231.13785	2.8
233.15399	4.3
237.12837	3.8
239.14236	1.4
249.14876	5.4
255.13783	7.9
259.13376	2.4
271.16901	2.0
273.14832	20.2
281.15390	1.8
283.16821	1.9
287.16425	2.8
301.18112	1.3
311.16406	2.4
313.17792	1.4
321.22192	1.6
339.23087	8.0
349.21646	19.4
357.24319	6.4
367.22635	45.8
385.23706	45.3
387.22964	1.2
403.24951	7.9
405.24203	2.2
423.25327	2.8
441.26160	6.5
459.27396	100.0
460.27621	3.4
470.40399	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	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39249	2.1
53.03940	11.7
55.01862	20.0
55.05507	21.0
56.05029	3.0
56.96555	4.7
57.03425	10.9
57.07061	3.2
57.64355	2.2
59.05000	3.1
61.02917	6.8
67.05502	40.3
68.99777	4.8
69.03424	52.1
69.07056	24.2
70.06584	17.3
71.04994	13.3
71.59684	2.3
72.08146	20.9
73.02901	8.4
74.06071	2.9
79.05487	20.1
80.65741	2.4
81.03413	55.5
81.07054	36.6
82.06561	2.8
83.04968	9.6
83.08611	10.0
84.04514	4.1
84.08127	14.7
85.02900	100.0
85.03419	5.4
85.06539	25.7
86.06067	7.1
86.09698	42.4
87.00827	29.4
88.03970	3.1
91.03944	5.2
91.05476	23.2
93.07037	22.9
95.04969	16.4
95.08038	4.2
95.08601	48.7
96.08934	3.9
97.02886	34.3
97.06520	8.4
97.10163	7.9
99.04461	20.6
99.08110	4.5
100.07598	3.1
100.11244	5.6
102.05553	4.5
105.01873	29.1
105.07018	22.6
107.04961	7.9
107.08582	23.9
109.02194	4.5
109.02872	40.8
109.06502	10.0
109.10151	40.5
111.04415	5.7
111.08070	6.8
115.05480	4.1
115.07551	5.0
116.98615	2.8
117.01828	3.2
117.07045	4.2
119.05007	2.8
119.08561	22.3
120.08074	6.6
121.02857	5.6
121.06508	10.3
121.10154	13.1
123.04412	2.8
123.08070	11.3
123.11671	3.4
125.09632	8.5
127.03912	65.0
127.07558	2.4
127.11173	8.2
129.01848	5.7
129.06993	6.4
129.10168	3.0
131.08554	12.5
132.91718	2.7
133.06473	3.3
133.10121	21.3
133.73236	2.3
135.08052	7.5
135.11671	12.5
136.07571	4.3
137.05981	9.6
137.09596	31.6
137.13278	7.1
139.11186	5.6
143.08542	4.4
143.10683	3.1
145.04956	25.7
145.06471	5.6
145.10107	6.6
146.11772	6.0
147.02910	6.7
147.04393	2.7
147.08064	2.7
147.11676	10.5
149.09650	3.5
149.13242	6.3
151.07562	7.7
151.11153	5.8
155.10651	5.4
157.10095	6.5
159.02893	19.5
159.08034	3.4
159.11696	5.2
161.05899	2.4
161.13280	4.3
163.11133	4.8
163.14813	4.6
165.09114	22.9
165.12788	3.1
166.09453	4.0
167.10721	2.5
171.08031	2.8
173.09454	5.5
175.07481	3.5
175.11163	3.9
175.14775	15.4
176.15147	2.5
177.16417	5.7
181.15976	2.7
185.13173	2.8
189.12784	2.6
191.14250	4.6
193.12204	9.9
193.15860	41.3
195.17413	7.6
198.11234	11.3
199.11528	9.6
201.08667	4.4
201.12576	2.6
210.14970	3.4
211.13405	3.1
211.16928	40.9
216.12183	3.4
217.15929	3.1
231.04948	17.4
235.16876	4.4
283.16910	3.1
291.07880	2.7
304.05054	2.9
325.14801	5.6
349.21655	4.5
360.16617	3.1
361.16693	7.5
367.22607	6.5
385.23706	10.0
415.19308	7.7
451.24139	2.6
459.17596	19.4
459.21487	3.8
459.28268	14.5
460.17966	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	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01865	2.0
55.05510	8.7
57.03417	2.9
57.07051	1.5
61.02917	1.8
61.24855	1.1
67.05496	14.8
69.03431	7.4
69.07069	7.7
70.06567	3.0
70.73040	4.0
71.04984	2.9
71.08640	1.3
72.08150	3.1
73.02911	1.7
79.05496	10.6
81.03410	10.7
81.07050	15.6
83.04965	4.8
83.08622	6.7
84.08137	3.2
85.02905	11.5
85.06527	3.3
86.06072	1.6
86.09676	2.4
87.00831	3.0
91.05483	7.6
93.07038	11.9
95.04957	5.4
95.08607	19.7
96.08891	1.2
97.02869	4.6
97.06525	3.3
97.10156	3.7
99.04432	2.5
99.08092	1.5
105.01866	2.3
105.07041	9.5
107.04948	3.6
107.08592	13.7
109.02851	3.6
109.06477	5.6
109.10146	31.1
110.07148	1.3
111.07366	1.4
111.08086	16.3
117.06983	2.2
117.27818	1.1
119.08591	20.5
121.06488	4.1
121.10144	10.6
123.08056	13.9
123.11710	5.7
125.09637	4.6
127.03944	7.1
129.06996	3.0
129.10211	1.7
131.08551	3.6
133.06462	1.6
133.10123	16.4
135.08054	2.0
135.11685	15.9
137.01268	1.2
137.05946	1.4
137.09608	30.4
137.13202	1.2
138.10333	1.7
139.11165	2.0
143.08572	1.7
145.04939	2.5
145.06456	3.0
147.08037	2.2
147.11649	5.2
149.13268	5.2
151.07506	4.2
151.11197	2.5
151.14806	2.8
153.09151	1.5
157.10147	2.4
159.02927	1.5
163.11205	1.4
165.09106	24.5
165.12759	4.0
165.16324	1.3
173.09596	1.4
173.13011	1.3
175.11229	1.6
175.14812	25.6
185.13040	1.6
191.10652	1.2
193.12190	2.7
193.15858	19.8
198.11198	1.2
199.11475	1.6
211.16917	100.0
212.17177	1.5
217.12149	1.4
257.15088	1.5
273.14767	1.6
295.10425	1.2
297.44031	1.2
302.04193	1.2
306.02393	1.3
315.44446	1.2
331.06268	1.3
333.76324	1.2
349.21533	1.7
367.22638	5.3
385.23672	5.7
423.25348	1.6
459.18002	2.7
459.27686	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	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52499	1.0
53.03938	2.4
54.09336	1.0
55.01853	1.1
55.05502	10.6
57.03432	2.2
57.07055	1.5
57.37916	1.1
59.04988	1.8
67.05496	20.0
69.03424	10.2
69.07069	13.0
70.06574	1.2
70.17265	4.1
71.04981	4.2
71.08676	1.1
72.08148	2.0
73.02911	1.5
79.05479	5.7
79.44363	1.2
81.03410	4.8
81.07040	21.3
83.04969	10.9
83.08608	7.7
84.04479	1.5
85.02899	9.7
85.06540	3.4
86.09693	2.0
87.00810	2.7
91.05458	6.1
93.07022	11.7
95.04956	3.7
95.08599	32.6
97.02881	4.0
97.06526	2.8
97.10170	3.1
99.04444	1.8
99.08078	5.5
105.01831	1.4
105.07045	8.6
107.08575	23.1
109.02883	3.9
109.06523	11.8
109.10146	100.0
110.10477	1.5
111.08041	3.7
111.15772	1.1
113.09610	2.4
117.06982	1.4
119.08572	31.5
121.10140	13.3
123.08062	12.7
123.11678	8.5
125.09606	2.6
127.03898	5.7
129.06975	1.2
131.08528	1.5
133.10109	20.2
135.11676	79.0
136.11951	2.1
137.05940	1.8
137.09612	18.6
139.11137	2.4
145.04831	1.3
145.06462	1.2
145.10054	1.5
147.11696	2.4
149.13246	6.2
151.07553	2.9
151.11176	9.4
151.14799	10.7
153.12766	2.8
159.11630	1.8
165.09105	4.1
165.12762	1.8
165.16400	2.9
175.14810	39.0
176.15158	1.4
193.15860	50.7
194.16165	1.9
195.11594	1.1
211.16908	96.0
212.17203	3.3
243.63622	1.3
247.55011	1.2
385.23605	1.3
459.17804	1.8
459.27411	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	459.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83604	3.4
56.96554	7.0
61.63124	3.4
71.50607	5.8
81.16473	3.5
94.93001	13.2
96.92255	4.6
98.97575	54.2
110.97561	7.4
112.88822	6.1
112.89594	94.0
114.89330	79.8
116.89126	54.4
116.98610	54.7
128.98579	16.5
134.99649	28.4
140.40402	3.0
143.00145	8.6
146.99635	17.5
158.99635	22.8
161.01221	9.2
170.99721	4.5
177.00699	55.9
189.00673	20.3
195.01740	7.0
207.01692	17.3
212.84283	4.2
219.01768	15.0
237.02832	45.1
248.89600	10.0
249.02870	10.1
255.03860	65.0
261.41718	3.0
279.03851	100.0
291.04025	4.1
297.04849	60.9
309.04883	11.7
320.06445	6.6
338.96265	3.8
339.05997	6.6
372.75528	3.3
399.08014	9.8
416.99686	7.4
459.12173	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	459.1836
Annotation	Gein
Peak:m/z	Relative Intensity
55.05496	1.4
56.05033	0.7
56.96552	0.4
57.03421	0.5
60.04525	0.5
65.71599	0.4
67.05489	0.7
69.03417	1.3
69.07057	2.0
70.06590	6.6
70.73709	1.1
70.74063	0.5
71.05012	0.4
72.08147	7.3
73.02918	0.8
79.05486	0.8
81.03407	1.1
81.07054	1.4
83.04977	0.8
84.04507	1.4
84.08141	3.7
85.02907	1.9
86.06030	0.5
86.09698	7.9
87.08086	0.9
91.05484	2.5
93.07037	0.7
95.04926	0.9
95.08614	0.8
97.02890	1.2
97.06515	0.5
99.08059	0.6
102.05547	0.6
105.07015	1.0
107.04965	0.4
109.02879	1.1
109.10136	0.9
110.07149	1.9
115.03934	0.5
117.07043	0.4
119.04920	0.5
119.08560	1.3
120.08090	1.3
123.08091	0.5
127.03947	1.2
129.10236	1.5
131.08604	0.6
133.10127	0.8
136.07602	1.1
137.09589	0.5
138.09152	0.4
143.11777	0.8
147.04358	0.4
147.10197	0.9
149.09630	1.1
157.10139	0.5
161.01262	0.4
167.10513	0.4
183.11365	0.4
185.04153	0.4
193.12201	1.2
199.18077	0.6
201.12370	0.8
211.13086	5.8
215.14072	0.5
227.05229	0.6
227.17566	0.4
229.11894	0.7
239.12573	1.6
245.06320	0.5
253.12836	0.6
263.19861	0.4
288.15710	0.4
355.17197	0.8
373.18338	11.5
397.18311	1.1
415.19360	36.0
416.19666	1.4
459.18323	100.0
460.18863	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	459.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83604	3.4
56.96554	7.0
61.63124	3.4
71.50607	5.8
81.16473	3.5
94.93001	13.2
96.92255	4.6
98.97575	54.2
110.97561	7.4
112.88822	6.1
112.89594	94.0
114.89330	79.8
116.89126	54.4
116.98610	54.7
128.98579	16.5
134.99649	28.4
140.40402	3.0
143.00145	8.6
146.99635	17.5
158.99635	22.8
161.01221	9.2
170.99721	4.5
177.00699	55.9
189.00673	20.3
195.01740	7.0
207.01692	17.3
212.84283	4.2
219.01768	15.0
237.02832	45.1
248.89600	10.0
249.02870	10.1
255.03860	65.0
261.41718	3.0
279.03851	100.0
291.04025	4.1
297.04849	60.9
309.04883	11.7
320.06445	6.6
338.96265	3.8
339.05997	6.6
372.75528	3.3
399.08014	9.8
416.99686	7.4
459.12173	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	458.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79100	2.6
51.20125	2.5
53.03936	4.7
53.17719	2.7
55.01858	11.1
55.05498	11.9
56.05026	7.8
56.96557	6.2
57.03431	21.9
59.04981	3.9
60.04521	6.4
61.02929	16.4
66.04767	2.5
67.05491	10.1
68.05020	3.8
69.03426	30.4
69.07063	57.5
69.76797	5.4
69.77203	14.6
70.02967	3.1
70.06588	98.6
71.01364	3.2
71.04993	5.0
71.06910	3.2
72.08151	61.7
73.02912	87.6
74.06068	6.9
79.05484	6.0
81.03419	14.4
81.07056	9.3
82.06577	2.9
83.04978	6.9
84.04502	14.1
84.08135	50.1
85.02897	70.4
85.06493	3.3
85.08447	2.6
86.06079	4.3
86.09701	69.6
87.04472	4.8
87.08104	82.8
87.10036	3.0
88.01173	2.8
91.03986	3.7
91.05473	12.7
93.07030	7.3
95.04964	6.9
95.08600	5.1
97.02895	64.7
97.06543	4.8
98.06043	2.9
98.97546	4.0
99.04436	5.5
102.05534	3.3
104.05310	2.8
105.07036	9.9
107.08585	7.6
108.35382	2.8
109.02876	5.8
109.06529	2.7
109.10149	5.1
110.07155	25.0
115.03925	27.9
115.08762	4.1
116.07088	5.4
116.98612	3.3
119.04965	3.5
119.08575	6.4
119.10679	18.5
120.08103	10.6
121.10154	5.6
126.05646	3.6
127.03922	30.8
129.09274	4.2
129.10222	21.7
130.06422	3.0
130.08595	5.2
132.10179	4.1
133.04976	29.2
133.10118	4.2
134.99634	2.8
136.07520	13.6
137.09669	2.8
141.10194	3.2
143.11781	11.6
144.06540	4.1
145.04990	25.8
145.10117	4.2
147.04442	5.0
147.10153	100.0
149.09593	6.9
152.07013	3.8
161.09322	3.2
163.06030	7.9
164.07144	3.4
171.11363	5.2
185.09209	5.2
191.14241	4.6
192.14771	5.5
197.05884	2.9
211.13120	4.9
213.08859	4.6
213.12115	3.0
223.06026	4.3
228.13330	2.8
229.11887	5.7
229.15630	3.2
230.15881	3.0
237.02695	3.7
241.07256	4.0
259.08157	7.0
296.18649	4.2
373.18149	4.5
387.12439	4.9
397.18539	6.7
398.28613	5.0
415.19641	24.0
458.16492	4.3
458.23935	11.5
458.30588	7.7
459.18423	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3673
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
55.05503	10.7
56.27118	2.4
57.07076	5.7
67.05494	11.6
69.03401	2.9
69.07070	22.2
69.51907	6.7
69.52327	14.5
71.04988	3.6
71.08640	3.3
73.60746	2.5
78.15775	2.7
79.05493	12.2
81.07064	28.3
83.08617	9.0
85.13807	2.3
91.05500	14.8
92.89212	2.5
93.07040	38.5
95.04952	5.4
95.08611	42.6
95.36128	2.6
97.06527	8.6
97.10186	3.8
105.07030	17.3
107.08587	71.6
109.06493	4.3
109.10138	32.8
111.08102	10.6
115.05489	2.5
117.07060	3.9
119.08578	36.0
121.10139	63.9
121.11017	3.4
123.08079	3.3
123.11708	12.3
125.09631	8.0
129.06978	2.5
131.08580	9.3
133.10110	26.0
135.08049	9.3
135.11691	16.4
137.13278	10.6
139.11107	4.8
142.02283	2.8
143.08542	5.1
143.10699	2.9
145.10101	25.5
145.16312	2.4
147.11690	18.5
149.09509	3.1
149.13251	100.0
150.13663	3.1
150.53191	2.5
151.11240	4.4
157.10109	5.5
159.11685	25.0
161.13266	9.3
163.11230	5.4
163.14848	6.0
165.12599	3.3
168.61812	2.3
169.10056	4.5
171.11684	6.1
173.13258	10.5
175.06456	2.6
175.11215	4.6
175.14815	5.7
177.12756	4.5
177.16408	12.5
179.10663	3.6
180.32382	2.5
183.11670	4.7
185.13228	8.3
187.14830	9.1
189.12704	3.8
189.16367	3.9
195.17438	6.7
197.13182	2.9
199.14728	4.5
201.16370	24.7
201.46991	2.7
203.14317	4.2
203.17940	6.5
205.15913	9.2
207.17395	3.6
213.16380	6.0
215.18027	10.3
219.17477	5.6
221.88399	2.5
223.16876	5.5
225.16409	5.1
227.18063	3.3
229.15759	4.9
231.17487	3.8
233.19011	17.6
243.17537	14.2
251.20097	20.1
261.18427	5.8
281.22684	6.8
299.23688	10.0
384.29025	2.5
387.21909	2.8
421.34631	27.9
422.22574	2.6
439.35709	50.6
440.35748	5.0
457.36722	57.1
458.37106	5.3
481.61813	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	457.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.01855	11.1
55.05505	21.7
56.81951	3.2
57.03441	10.4
57.07075	7.5
57.65459	3.9
59.04990	7.6
66.85780	3.2
67.05496	48.4
69.03417	24.0
69.07070	35.9
71.04990	3.8
71.60609	3.3
79.05487	39.0
81.03399	4.7
81.07053	64.9
83.04966	10.2
83.08616	24.6
85.06545	5.7
87.04504	4.2
91.05476	28.9
93.07031	63.5
95.04975	12.8
95.08591	70.5
97.06538	14.9
97.10183	4.5
97.68201	3.5
99.08080	6.4
105.07027	54.4
107.08586	100.0
109.06529	22.4
109.10149	75.0
111.08070	27.6
113.09609	3.9
113.43480	3.6
117.07060	6.9
119.08578	76.5
121.06414	3.5
121.10125	44.5
123.08084	13.9
123.11723	21.1
123.24024	3.8
125.09631	23.1
129.06979	3.9
131.08569	18.1
133.10114	43.5
134.10295	3.9
135.08083	7.7
135.11703	49.9
137.09645	17.2
137.13165	4.3
139.07536	6.1
139.11183	9.8
143.08540	11.6
145.10098	35.6
147.11685	70.0
149.09607	6.6
149.13235	15.4
151.11151	8.2
153.12738	8.7
155.08597	4.7
157.10114	17.7
159.11673	22.6
161.09546	4.3
161.13234	18.4
163.11218	6.3
163.14833	8.5
165.09108	5.5
165.12743	64.9
169.10077	6.8
171.11690	16.3
173.13239	21.3
175.11160	7.0
175.14821	15.4
177.16362	5.4
183.11652	6.0
185.13298	10.5
187.14813	21.7
189.16222	4.3
191.17834	5.2
193.12250	18.9
193.15843	7.0
197.13252	6.3
199.14812	12.6
201.16383	37.2
203.17946	46.6
207.17522	4.6
209.13316	5.6
211.14857	6.7
213.16383	12.5
215.17896	6.8
221.15279	6.9
223.14799	4.1
227.14351	4.0
227.17950	12.6
231.17622	5.5
237.16455	5.9
249.18437	26.7
253.19495	6.9
253.33456	4.4
255.21132	6.3
269.22665	39.1
305.24722	3.9
403.33630	16.9
421.34616	93.2
439.35651	15.3
457.30096	4.7
457.36725	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	457.3673
Annotation	Kuguacin B
Peak:m/z	Relative Intensity
53.03938	4.2
53.23269	1.8
55.01867	10.2
55.05508	20.7
57.03449	2.1
57.07068	6.9
59.04988	8.2
67.05160	2.8
67.05499	34.3
69.03429	15.1
69.07064	36.5
70.04741	5.5
70.05135	3.6
79.05488	27.8
81.03412	2.9
81.07050	59.3
83.04973	8.2
83.08615	15.5
85.02914	2.2
85.06525	5.2
91.05483	23.6
92.05818	2.1
93.07038	56.1
95.04966	6.8
95.08601	53.6
97.06535	12.2
97.10165	5.3
99.08090	3.3
105.07021	51.3
107.04966	2.2
107.08588	100.0
109.06480	15.5
109.10145	74.6
111.08080	29.3
111.11734	3.2
115.91409	1.8
117.03374	5.5
117.07007	5.8
119.08572	56.5
121.10136	49.9
123.08070	8.8
123.11697	14.6
125.09608	23.3
129.07010	5.5
130.07751	2.6
131.08577	14.4
133.09116	2.7
133.10118	50.5
135.08069	1.9
135.11681	44.1
137.09615	12.2
137.13271	4.7
139.07564	7.3
139.11185	7.4
143.08563	8.4
145.02835	8.0
145.10107	23.1
147.08011	2.2
147.11671	49.1
149.09654	4.7
149.13255	16.7
151.11172	3.3
153.12793	9.4
155.08548	3.9
157.08868	2.4
157.10066	11.2
159.11678	24.5
161.13234	15.1
163.11218	4.7
163.14828	6.8
165.09158	2.1
165.12743	56.8
167.14362	3.1
169.10089	4.0
171.11720	11.7
173.13266	15.9
175.11223	7.8
175.14780	13.6
177.05453	23.2
177.12775	2.3
177.16379	4.1
183.11700	6.8
184.07335	2.1
185.13274	11.5
185.14651	1.7
187.14821	17.7
189.12735	3.0
189.16399	4.0
191.17911	4.5
193.12202	24.0
193.15913	7.1
197.13315	3.5
199.14825	10.1
201.16353	36.3
203.14461	3.2
203.17935	47.6
209.13304	4.3
211.14801	4.8
213.16379	14.9
215.17973	7.5
221.15413	4.2
223.14799	2.5
225.16368	3.0
227.17905	11.3
229.19516	2.5
231.17439	10.7
239.17889	2.7
241.19305	2.6
249.18512	28.2
251.17923	5.3
253.19498	6.6
255.21013	4.2
257.22672	6.3
267.21051	6.6
269.22629	34.2
277.21741	2.6
279.21121	3.0
281.22485	2.9
287.23608	5.0
293.22568	4.6
305.24820	5.5
311.23645	4.5
323.27411	3.3
361.28854	2.8
365.28760	2.1
383.29126	2.1
403.33597	24.1
421.34610	83.7
422.35022	6.3
439.35516	12.6
457.25211	3.2
457.36734	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	457.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71588	0.6
55.05505	3.0
67.05507	4.0
69.07047	2.8
69.82986	3.3
71.08624	0.9
79.05483	2.4
81.07049	4.2
83.57814	0.6
89.03905	7.9
91.05454	2.0
93.07024	4.5
95.04967	1.1
95.08588	5.5
97.06509	0.7
98.21304	1.2
99.08087	1.3
105.07011	3.7
107.08591	5.1
108.15074	0.6
109.10141	2.7
111.08043	1.0
117.03373	21.9
119.08571	5.3
121.10127	4.0
123.08054	0.7
123.11690	1.1
124.05200	0.7
127.98097	0.6
129.07040	1.0
131.08560	1.5
133.10168	3.9
134.03641	2.1
135.04382	2.2
135.11713	3.1
137.05946	2.1
143.08598	0.8
145.02832	53.1
145.10098	1.8
147.11671	6.3
148.41756	0.7
149.05968	7.7
149.13237	1.1
157.10107	1.3
158.06038	0.8
159.11685	2.2
161.13246	1.4
169.81345	0.7
171.11623	1.2
173.13222	0.8
175.14798	0.8
177.05460	100.0
178.05782	1.1
185.13278	1.3
186.05444	3.1
187.07521	0.7
187.14769	1.5
189.09120	0.8
193.15950	1.0
201.09140	1.3
201.16420	2.0
203.17961	2.8
213.08913	0.6
213.16451	1.6
227.18010	1.2
231.17400	1.3
249.18529	0.9
257.15283	1.3
285.15015	0.9
343.19315	0.8
421.34564	7.1
429.30115	1.5
439.28543	0.7
439.35861	1.9
457.29852	1.3
457.36594	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	457.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35974	2.7
51.64140	2.6
53.03942	5.5
55.05510	17.0
56.96571	4.3
57.03415	4.6
61.02908	3.3
67.05170	4.7
67.05500	51.9
69.03403	3.1
69.07065	25.4
69.32230	24.9
69.32642	4.7
70.06566	4.5
71.04980	5.2
79.05492	18.3
81.03419	4.9
81.07055	57.5
83.04966	5.7
83.08600	7.5
85.02865	3.3
85.06544	4.8
91.03957	3.0
91.05473	20.0
93.07032	27.1
95.04971	8.9
95.08603	40.8
97.06540	3.3
99.08093	66.0
99.08741	4.8
101.05986	4.4
104.47265	2.7
105.07016	26.5
107.05022	2.6
107.08592	28.8
109.06512	2.7
109.10152	100.0
111.08032	4.3
113.06017	3.0
117.07040	6.3
119.08580	27.5
121.10137	22.0
123.08062	4.2
123.11691	6.1
125.06001	3.4
127.03939	3.9
128.06279	3.1
129.07002	4.0
131.08527	15.4
133.10120	17.1
135.11661	15.2
137.06006	3.6
137.09599	21.2
137.13184	4.3
139.11230	4.2
141.06964	3.9
143.07536	3.9
143.08505	16.7
145.06477	3.7
145.10097	22.1
147.08014	4.5
147.11700	14.5
149.09576	6.0
149.13264	4.7
150.47076	2.9
155.08603	7.0
155.10672	36.4
156.09213	4.7
157.10100	10.9
159.11707	9.8
161.09665	3.1
161.13226	10.0
165.09102	12.5
165.12679	3.2
169.10130	7.4
170.10963	3.2
171.08069	3.0
171.11697	10.2
173.09601	10.9
173.13257	10.8
175.14799	3.9
181.10083	5.3
182.10938	3.7
183.11653	6.9
185.13228	9.4
187.14868	4.7
189.12732	3.0
191.10728	8.5
193.10069	3.3
193.92253	3.1
194.10785	3.5
195.08066	2.9
195.11723	6.5
197.13245	9.1
199.14842	6.5
201.16443	3.8
203.10670	4.3
203.17955	5.7
205.12283	3.2
207.11711	3.4
209.13300	5.7
211.11340	3.2
211.14819	5.7
213.12747	4.6
219.11670	3.1
221.13199	3.4
223.14833	4.7
225.12737	5.0
225.16428	5.8
235.16919	5.8
237.12737	4.6
237.16487	5.4
239.14340	3.8
239.17955	10.8
240.46942	2.8
247.14763	5.3
249.16383	4.6
265.15863	8.7
267.17487	10.6
275.05621	4.9
283.16940	9.7
285.18555	18.5
301.18158	3.2
303.19495	4.5
330.20068	3.1
365.24655	4.7
366.42429	2.9
374.98886	3.6
393.23593	6.0
393.28400	13.4
403.26270	6.0
411.28934	4.9
421.27325	22.7
439.28357	21.1
439.35303	5.6
457.29886	5.0
457.36380	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	457.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54074	0.5
69.40473	4.5
79.05473	0.5
79.42082	0.5
81.07037	0.5
89.03913	7.6
91.05422	0.6
93.07035	0.7
95.08596	1.1
98.21431	1.0
105.07017	0.6
109.10144	0.9
117.03373	21.7
119.08527	0.7
121.10132	0.8
134.03627	2.1
135.04369	2.4
145.02832	52.3
149.05981	8.5
163.03891	0.9
177.05453	100.0
178.05708	1.0
186.05479	4.0
189.12679	0.6
207.49721	0.5
243.94353	0.5
268.64194	0.5
395.33301	0.7
457.35901	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	457.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.2
67.05503	13.9
69.07055	5.2
71.08603	1.8
71.60856	1.4
72.99857	1.2
79.05479	3.8
80.12818	1.2
81.07047	12.3
83.08609	2.3
85.10175	1.9
89.03914	8.4
91.05463	4.2
93.07017	4.3
95.04937	1.8
95.08608	9.5
97.10139	1.3
99.08117	1.3
105.07023	3.5
107.08578	3.9
109.06522	1.3
109.10133	8.0
117.03365	21.3
119.08562	4.0
121.10095	4.4
123.11674	2.1
125.09595	1.4
131.04852	1.5
131.08562	1.7
132.76685	1.2
133.10100	2.1
134.03629	1.2
135.04414	2.8
135.11646	1.4
137.05972	14.2
137.13240	1.3
143.08621	1.7
145.02832	50.7
145.06454	1.3
145.10147	1.2
147.11691	3.2
149.05966	7.7
149.13232	1.6
151.03915	1.4
151.99355	1.3
157.06499	1.3
159.11685	1.4
160.05231	1.9
163.07515	1.6
163.14816	1.8
173.13188	1.2
175.07558	3.2
175.14732	1.3
177.05455	100.0
178.05849	1.5
179.07040	2.2
186.05464	2.9
187.07468	7.3
187.14752	1.3
189.05501	3.7
189.08965	1.3
191.07039	3.6
201.09085	4.3
203.06967	3.7
213.09055	2.0
227.10524	1.6
231.06477	1.9
233.15649	1.7
247.13185	2.5
257.15350	1.5
261.14871	2.6
261.22107	3.2
279.23184	3.4
283.16916	1.5
289.14288	4.6
297.18570	1.4
343.19016	1.4
345.20380	1.3
357.81039	1.2
411.28595	2.8
429.29733	4.3
439.28397	7.7
456.93436	1.5
457.29370	9.5
457.36453	3.2
475.21014	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	457.2329
Annotation	Vindoline
Peak:m/z	Relative Intensity
53.03934	1.3
55.01865	2.3
55.05503	6.7
57.03434	1.4
65.03902	1.0
65.21086	0.8
67.05492	11.5
69.03423	1.5
69.07067	7.0
69.33871	9.2
71.04984	2.1
79.05486	14.6
81.03409	6.0
81.07052	20.1
83.04964	8.1
83.08608	3.1
85.02946	1.2
85.06548	3.2
91.05468	13.2
93.07031	18.7
95.04953	7.4
95.08601	12.0
97.02872	1.4
97.06521	12.6
97.10162	1.7
98.05965	1.0
99.04442	1.4
99.08046	1.0
105.07014	14.9
105.71732	0.8
107.04945	5.4
107.08572	10.6
109.06515	8.8
109.10146	9.0
111.04429	1.0
111.08069	3.9
112.07595	1.1
113.51517	0.9
114.09138	1.7
115.05474	2.2
117.05764	1.5
117.07016	4.1
118.06512	13.9
119.08566	10.8
121.06484	13.5
121.10113	4.6
123.08050	4.0
123.11709	1.8
125.05978	4.7
125.09576	1.1
128.06161	1.1
129.06993	3.7
130.06516	25.1
131.04955	1.4
131.08582	4.3
132.08063	16.9
133.06476	2.5
133.10077	4.6
135.04413	1.5
135.08046	5.8
135.11696	2.7
137.05989	1.4
137.09628	2.4
139.07474	7.9
139.11166	1.6
141.07051	1.1
142.06523	3.7
142.07761	2.2
143.07147	2.7
143.08543	3.1
144.08060	12.5
145.06496	2.2
145.10088	6.3
146.05992	58.2
147.04408	1.0
147.06302	1.3
147.08043	2.7
147.11650	14.5
149.09642	2.1
149.13260	3.0
151.07524	1.3
155.08568	1.8
157.06435	1.4
157.08585	2.9
157.10126	4.3
159.08063	2.5
159.09160	67.3
160.07559	3.6
161.05922	2.8
161.09596	2.2
161.13202	2.4
163.11229	2.1
163.14828	1.6
165.09097	8.6
165.12784	4.1
170.05984	7.5
171.07994	1.1
171.11703	3.6
173.09618	2.1
173.13258	1.9
175.11188	5.4
177.09193	1.0
185.07135	1.9
187.08688	3.3
187.11092	1.2
188.07045	100.0
189.07521	2.0
189.09122	1.7
189.11243	1.1
189.12697	5.5
191.10687	2.3
191.14305	2.9
193.12178	6.2
199.11215	3.9
205.09706	37.3
207.13631	1.2
217.12225	9.1
226.18053	1.3
235.11151	1.3
235.13235	2.1
239.11908	1.7
255.14856	1.8
280.62500	1.0
289.14368	1.1
301.15402	8.2
310.16287	1.4
347.20474	1.9
349.22647	2.1
351.20593	1.8
355.22632	1.2
365.21039	4.5
367.18649	1.4
367.23770	16.1
369.21747	2.9
375.20621	6.4
383.22119	2.6
393.21713	11.6
395.23331	2.0
403.19952	1.6
411.22717	16.3
412.22867	1.3
413.24323	9.9
421.21014	4.3
439.22198	10.1
457.25101	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01862	3.7
55.05494	6.1
67.05484	7.4
69.03417	14.8
69.07055	8.1
71.04980	6.9
72.08144	2.7
79.05478	5.9
81.03426	8.5
81.07042	12.0
83.04980	15.5
83.08600	5.2
84.08154	3.6
85.02886	13.0
85.06529	1.9
86.09689	6.4
87.00825	4.9
91.05457	6.9
91.73479	2.1
93.07034	10.8
95.04977	4.6
95.08607	26.7
95.63302	1.8
97.02856	5.2
97.06520	6.3
99.04436	2.9
99.08066	3.5
99.45229	1.8
105.07020	8.1
107.05000	1.9
107.08585	39.5
109.02882	3.5
109.06514	10.5
109.10130	20.3
111.08083	2.7
119.08557	6.8
120.08087	2.0
121.06482	2.9
121.10127	45.5
123.08053	8.1
123.11706	5.1
125.09610	13.6
127.03911	4.7
131.08562	6.5
133.10120	26.9
135.08055	18.6
135.11670	5.3
136.07558	2.5
137.09596	17.3
139.11176	6.3
145.10101	6.0
147.11668	12.0
149.09615	12.2
149.13261	22.3
151.11171	96.0
152.11534	1.8
153.09090	2.8
157.10129	2.3
159.02986	2.2
163.14793	16.5
165.09116	10.1
165.12749	7.9
168.69479	1.9
173.13283	17.1
185.09352	1.8
185.92200	1.9
191.14287	100.0
192.14604	2.3
204.71490	1.8
209.04424	3.9
209.15352	89.5
210.15732	2.4
301.31064	1.8
311.63254	1.9
335.07104	2.1
353.08023	7.3
371.05423	15.6
371.09238	2.5
413.05978	3.7
457.09674	2.1
457.15457	2.5
457.21036	4.6
471.10968	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	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52700	1.5
55.05511	4.3
67.05509	4.4
69.03419	7.6
69.07053	4.3
69.57619	7.5
69.58038	3.1
70.06589	3.1
71.04993	1.5
72.08180	1.5
79.05493	6.3
81.03414	2.3
81.07043	8.8
83.04987	3.5
85.02898	4.2
86.09706	3.5
87.00873	1.8
91.05481	6.7
93.07041	6.1
95.08611	4.5
95.77327	1.4
97.02876	3.2
100.11262	1.6
105.06980	8.5
107.04957	4.1
107.08587	23.0
109.02877	2.4
109.06543	5.3
109.10159	5.4
115.05474	1.4
116.10705	1.7
119.08575	6.3
121.06498	3.6
121.10147	11.0
122.07286	5.2
123.08069	1.7
123.33252	1.4
127.03903	5.1
131.08559	3.1
133.10127	100.0
135.08055	10.6
135.11737	1.8
137.09610	60.9
145.10176	1.4
147.11688	2.0
149.09575	2.5
149.13266	11.0
159.11694	1.5
163.14810	2.9
165.09129	4.9
173.13271	7.3
191.14293	53.6
209.15318	2.5
303.18509	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	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01869	2.1
55.05492	1.6
56.15530	0.3
57.03420	1.3
57.07063	0.7
59.04989	0.7
61.02906	1.6
65.03915	0.4
67.05492	2.1
69.03074	0.7
69.03426	11.0
69.07071	2.0
70.06573	1.2
70.84626	0.7
70.84949	0.5
71.04971	1.2
72.08134	0.5
73.02908	1.8
79.05495	2.0
81.03414	11.4
81.07046	4.4
83.04987	2.7
83.08608	0.5
84.04495	0.5
84.08125	0.4
85.02901	14.2
85.06533	0.5
86.09684	1.2
87.00828	6.5
87.04451	0.4
91.03950	0.4
91.05473	1.9
93.07037	2.1
95.04959	2.6
95.08601	4.3
97.02882	4.8
97.06481	0.6
99.04446	3.0
99.08086	0.9
105.01861	3.0
105.07011	3.2
107.04883	0.5
107.08586	6.8
109.02875	7.4
109.06516	6.5
109.10152	3.7
113.09628	0.4
117.01834	1.0
117.07021	0.5
119.08585	2.5
120.08082	1.2
121.06520	0.7
121.10134	9.3
122.07275	1.7
123.08051	4.9
123.11687	2.6
125.09658	0.6
125.34373	0.3
127.03910	9.3
129.01880	0.7
131.08556	0.9
133.10146	2.2
135.08014	1.8
135.11714	1.2
136.07556	1.1
137.09608	11.4
137.13243	0.8
145.04953	3.1
145.10057	0.6
147.02811	0.9
147.11668	2.1
149.09619	7.2
149.13251	5.1
151.11174	43.0
152.11429	0.6
159.02884	3.8
161.09550	0.5
163.14821	0.5
165.09100	2.3
165.12743	35.4
166.13107	0.7
173.13283	1.5
175.14932	0.4
181.08568	0.4
191.14279	4.5
193.15869	6.0
198.11169	0.4
209.15349	100.0
210.15714	1.7
213.03879	0.6
231.04984	1.5
310.46265	0.4
360.16394	0.5
413.17761	0.6
443.45697	0.4
457.16284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40986	1.0
55.05490	2.3
57.07070	15.1
60.74475	1.0
60.99225	1.2
63.97320	1.0
67.05476	1.6
69.07058	1.6
69.44650	1.2
70.06578	13.4
71.08624	8.4
73.02911	2.1
77.68761	1.1
81.07046	5.2
81.48543	1.1
85.10170	2.1
87.85537	1.0
88.07623	17.4
95.08603	4.3
99.13738	1.0
101.21153	1.0
102.09178	13.4
109.10149	1.9
196.76811	1.0
200.20073	51.5
212.40393	1.1
218.21175	4.4
232.11235	1.2
275.40884	1.2
283.26279	53.5
284.26590	2.9
370.73743	1.1
456.44070	100.0
457.44293	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	457.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01863	3.1
55.05511	6.9
55.93523	8.4
56.05027	3.4
56.94291	4.2
57.03430	4.1
60.04505	1.3
61.02908	2.3
67.05487	4.5
69.03415	11.0
69.07043	5.2
70.06586	32.8
70.95862	5.3
71.04974	5.1
71.06927	1.5
71.58994	1.3
71.59391	1.6
71.92997	1.4
72.08154	18.3
72.93777	14.6
72.94145	2.2
73.02907	5.9
73.94576	1.4
74.06104	1.3
76.68372	1.2
79.05492	5.4
81.03423	7.2
81.07056	5.7
83.04992	4.1
83.08630	1.2
84.04495	3.8
84.08131	15.5
85.02895	9.6
85.06496	1.5
86.09702	24.8
88.04006	2.3
88.96889	4.7
90.94824	10.8
91.05467	7.7
93.07049	9.8
95.04970	5.1
95.08607	6.1
97.02888	5.7
97.06508	1.6
98.97576	2.3
99.04434	2.1
102.05531	3.9
102.73615	1.5
105.01884	1.4
105.07024	7.0
107.08585	12.1
108.95861	3.2
109.02881	3.6
109.06517	8.9
109.10159	4.4
110.07175	3.7
111.08080	1.6
112.83585	1.4
115.03929	2.3
116.07082	5.8
116.96339	1.7
116.98660	2.1
117.07003	1.6
119.08581	11.6
120.08112	3.4
121.06477	8.8
121.10149	6.3
122.07307	1.5
123.08056	28.6
127.03923	4.9
127.11192	3.4
128.96298	2.1
129.06889	1.8
129.10233	6.1
131.08534	2.0
132.95833	19.5
133.04919	2.7
133.10127	5.8
134.97397	2.2
135.08070	7.5
135.11684	7.4
137.09622	5.4
142.97932	1.9
143.08556	1.5
144.95798	8.5
145.04991	1.9
145.06464	1.6
145.10114	3.2
145.12231	17.7
146.12552	10.2
146.97377	3.4
147.11664	1.5
149.09630	6.0
149.13252	4.1
150.96875	15.9
157.10081	2.7
158.97411	5.0
159.11691	8.2
160.99048	2.2
161.13269	6.8
162.96880	11.5
163.11172	2.9
165.00018	2.2
165.09099	3.3
168.95833	3.9
168.99480	1.5
173.13187	1.4
174.96887	13.3
176.98466	2.5
177.12733	8.3
179.01575	5.0
180.29831	1.6
180.99446	6.6
181.12299	1.6
184.98982	2.3
186.96872	5.1
187.11185	2.0
191.14275	6.3
192.97899	1.6
192.99406	3.1
193.03134	2.2
194.00250	2.0
195.01010	32.7
197.02594	12.2
199.00475	7.3
201.12321	6.5
203.05188	4.9
205.12193	3.9
207.01125	4.3
209.02586	2.5
209.15382	4.6
211.00485	5.8
211.97791	1.6
212.01300	6.2
212.98570	2.7
213.02055	16.4
213.12398	1.7
215.13826	2.1
217.06744	3.1
223.00601	3.1
223.04135	1.5
225.01993	2.2
225.14888	2.2
226.99953	2.6
227.03564	2.4
229.01569	5.9
229.11836	6.2
229.15506	3.8
231.04651	3.0
233.06291	6.7
234.98871	2.6
235.04230	1.8
236.01524	2.3
237.02229	4.8
238.02937	2.1
239.03752	2.2
241.01637	1.9
243.13423	2.8
247.04268	1.8
249.02086	3.7
249.05849	3.3
250.02730	2.2
251.03685	1.8
253.05177	2.9
263.03687	2.4
265.05203	2.5
267.06702	3.9
269.08170	1.6
275.07144	2.5
277.05307	4.2
283.02591	2.7
293.08328	5.7
295.06235	28.8
297.10095	6.1
311.09607	2.4
313.07300	25.4
319.06207	2.4
331.08359	8.0
337.07291	100.0
338.07523	2.4
339.11130	2.3
349.07318	20.7
355.08356	52.3
361.07285	3.4
363.09064	1.8
367.08429	9.4
373.07709	4.9
378.09988	6.0
379.08267	11.2
385.09326	5.5
391.08295	7.1
396.27484	2.7
397.09146	2.6
397.27631	6.3
405.27847	1.3
409.09430	1.6
413.17352	2.0
415.98288	1.6
421.09406	1.7
439.10406	10.1
441.14221	2.8
456.29599	3.4
457.11401	40.4
457.16815	4.6
457.23923	8.7
457.29956	10.3
458.11646	2.5
459.15680	2.8
475.12521	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	456.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
54.93833	0.5
55.01861	2.4
55.05502	2.8
55.93510	1.8
56.94301	0.8
56.96550	0.6
57.03431	5.5
57.07058	1.5
58.72248	0.4
59.04977	0.8
61.02927	4.6
67.05483	1.8
69.03067	1.0
69.03419	10.7
69.07051	1.5
70.06583	4.9
70.95844	1.5
71.01344	1.4
71.04987	11.0
71.39929	0.6
71.40286	0.6
72.08141	2.8
72.93774	3.1
73.02909	20.2
73.06544	1.4
79.05484	1.2
81.03398	2.8
81.07040	1.4
83.04977	1.0
83.08604	0.9
84.08115	1.8
85.02896	20.6
85.06496	0.5
86.03196	0.7
86.09689	3.7
87.04459	1.1
87.08104	1.0
88.96886	0.8
90.94807	2.4
91.03954	0.7
91.05465	1.9
93.07041	2.0
95.04948	1.1
95.08592	1.7
96.04462	0.9
97.02274	1.0
97.02882	13.8
97.06522	0.6
98.97594	0.8
99.04446	1.1
103.03898	0.8
105.03395	1.2
105.07001	2.3
107.08571	2.6
108.08871	0.5
109.02876	2.8
109.06477	1.6
109.10124	4.5
111.04420	0.5
115.03920	6.6
116.07092	0.6
119.08572	3.5
120.08045	0.6
121.06475	2.2
121.10156	0.7
121.91925	0.5
122.07326	0.7
123.08044	6.3
123.11675	0.5
124.08395	0.5
127.03897	6.8
127.11180	21.9
129.10233	1.1
131.08575	1.4
132.95818	3.6
133.04955	8.4
133.10141	1.2
135.08044	1.9
135.11693	1.8
137.09613	0.9
144.95821	1.2
145.04939	7.7
145.12219	100.0
146.12553	1.8
146.97409	0.8
147.04335	0.5
148.98993	0.7
149.09619	0.8
149.13185	0.9
150.96910	3.1
152.05705	0.5
157.10077	0.6
158.97394	0.8
159.11644	2.1
161.13300	1.0
162.96869	2.7
163.06006	1.7
163.11140	1.0
164.99974	0.7
174.96867	3.2
177.12755	1.7
179.01535	1.2
180.99463	1.1
184.07349	0.5
186.96841	1.2
189.12753	0.6
189.49812	0.5
192.99467	1.3
195.01064	5.6
197.02600	1.5
199.00487	1.0
203.05161	0.6
205.12148	0.7
207.00894	0.7
207.13821	0.6
209.02597	0.9
209.99728	0.5
211.00484	1.0
212.01314	1.5
213.02150	2.4
223.06029	1.1
225.02332	0.7
227.00000	0.5
229.01541	1.1
229.15521	0.9
231.04771	0.8
233.06255	1.2
237.02159	1.5
241.07054	2.2
249.01930	0.8
249.05658	0.9
250.02762	0.5
251.07350	0.8
253.05118	0.7
259.02527	0.6
259.08160	1.7
265.05081	0.7
267.06870	1.2
275.07285	0.7
277.05212	0.6
279.06564	0.6
283.02856	0.7
293.08292	1.2
294.06912	0.6
295.06116	5.1
297.10089	1.0
304.92322	0.5
311.09262	0.8
313.07333	5.7
323.09393	0.6
331.08438	1.6
336.07239	1.2
337.07309	21.3
349.07413	3.6
354.08652	2.5
355.08331	11.3
367.08340	2.3
373.07080	0.8
378.09769	1.1
379.08334	1.9
390.09918	0.6
391.08209	1.3
396.27377	2.8
397.09512	0.9
413.17487	0.7
439.10382	1.9
456.11691	1.5
456.22736	2.4
456.29510	6.3
457.11496	8.3
457.17068	0.9
457.24435	0.7
475.12421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
55.02545	0.6
56.05024	1.5
56.96556	1.2
57.03422	1.1
58.39282	0.6
60.04522	1.0
61.02909	0.9
67.05502	1.1
69.03414	2.9
69.07051	5.8
69.39636	1.0
69.40038	6.1
70.06241	1.2
70.06588	15.7
71.04980	1.1
71.15609	0.6
72.08147	3.5
76.87962	0.7
79.05486	1.0
81.03407	1.5
81.07058	1.4
82.06554	1.1
83.04990	1.3
84.04482	2.3
84.08145	7.6
85.02897	2.6
86.09698	25.6
91.05492	4.2
93.07016	1.4
95.04963	1.6
96.08107	1.3
97.02876	2.0
97.06532	1.0
98.09682	0.7
102.05523	0.8
103.05450	1.2
105.07009	1.2
106.06540	1.7
107.04984	1.6
109.02885	1.5
110.07177	1.4
112.08739	0.7
115.05428	0.9
116.07081	1.0
116.98577	1.2
117.06969	1.0
118.06531	8.2
119.05016	3.5
119.07317	74.9
120.08129	5.1
121.06503	0.8
122.05996	2.7
123.04411	0.8
127.03877	1.4
127.11175	1.6
128.07092	1.6
129.10229	1.7
130.06543	3.7
131.04929	0.9
134.06003	15.0
134.99579	1.0
135.04427	1.4
135.06789	10.4
136.07526	3.0
147.04366	1.5
147.09169	0.8
149.09619	1.1
150.05504	4.3
152.07121	0.8
166.13992	0.7
176.07063	5.3
183.14914	0.9
187.13644	0.8
207.08035	1.7
209.04404	0.9
209.09560	1.2
210.06760	1.2
223.07602	1.7
225.09062	2.3
235.07477	2.0
237.09103	2.9
240.10197	1.5
241.08636	1.7
242.10454	1.0
252.10197	12.7
254.11749	17.6
256.09628	5.9
265.08350	0.8
269.09891	1.5
269.12817	30.5
270.10901	3.2
280.09671	3.1
283.09735	0.9
286.10849	1.1
298.10757	8.7
299.10657	0.8
301.11584	0.9
315.13361	100.0
316.13641	2.4
317.11188	1.6
322.18015	2.2
337.19077	2.1
338.17432	1.6
354.30862	0.8
382.21201	2.6
383.19586	7.3
393.17972	3.2
409.70349	0.8
411.19012	3.9
428.21799	29.1
429.22159	1.1
439.18546	8.4
455.76840	1.5
456.21558	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	456.1479
Annotation	HZ52
Peak:m/z	Relative Intensity
50.77582	0.2
55.05502	0.5
56.05038	0.5
56.96552	0.6
60.04517	0.3
67.05486	0.3
69.03416	0.7
69.07057	0.4
69.33282	0.2
70.06589	5.3
70.06949	0.9
70.07362	0.4
72.08150	1.2
73.08580	0.3
74.06065	0.3
79.05482	0.6
81.03399	0.3
81.07065	0.4
84.04507	0.9
84.08144	2.2
85.02897	0.9
86.09697	1.9
91.05449	0.4
95.04939	0.3
95.06066	0.5
97.02871	0.7
97.36682	0.2
98.97581	0.6
99.04379	0.3
104.51528	0.2
105.07024	0.3
106.06548	0.6
110.07147	0.9
112.07606	0.4
116.98634	0.8
119.01920	0.7
119.04956	0.5
119.07366	0.6
120.08087	0.8
124.07588	0.6
125.05984	0.4
127.03901	0.3
128.07121	0.4
128.98730	0.3
129.10226	1.4
131.01993	0.2
134.06044	0.6
134.99622	0.5
136.07555	0.6
138.05507	0.3
142.03137	0.3
143.11789	0.3
145.03519	0.3
147.04431	1.2
152.07042	0.7
157.03418	0.4
162.05339	0.4
164.07019	0.2
164.10738	0.3
170.08145	0.6
171.11310	0.3
177.05493	0.2
180.14523	0.2
185.02861	0.3
191.92546	0.2
203.96854	0.2
216.07245	1.3
224.13986	0.3
234.08113	0.4
237.02664	0.3
240.07227	0.4
240.13336	0.3
242.08801	0.3
254.08813	0.7
258.08157	1.3
268.06747	0.3
282.08328	0.8
300.09314	0.3
315.13364	1.2
317.08514	1.2
324.10483	3.2
336.08490	0.6
342.10330	4.0
353.09122	0.3
354.09454	0.8
354.16309	0.3
428.21725	0.4
438.17929	0.3
439.10495	0.5
456.14746	100.0
457.15067	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	455.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.9
57.07065	3.0
67.05506	8.0
69.03408	1.3
69.07053	12.0
69.68295	8.2
71.08617	1.6
78.87806	1.0
79.05480	6.5
81.07056	15.0
83.04959	1.8
83.08620	6.8
83.62161	1.1
85.06509	1.8
86.88805	1.1
89.06018	1.1
91.05472	7.4
93.07049	14.3
95.04960	2.6
95.08601	14.7
97.06515	2.5
97.10152	3.7
98.21475	1.3
105.07019	13.9
107.08582	38.8
109.06499	2.9
109.10154	9.2
111.06419	1.1
116.00246	1.2
117.06942	2.2
119.08566	25.2
121.06491	4.0
121.10143	20.5
123.08038	2.4
123.11697	3.4
124.47945	1.2
125.09616	2.1
127.27583	1.2
131.08569	8.9
133.10120	19.1
135.08040	14.2
135.11678	28.3
137.09546	6.2
139.07547	1.1
143.08542	1.3
145.02808	2.0
145.10078	6.6
147.11702	13.2
149.09618	11.4
149.13245	3.6
151.11218	1.9
151.13593	1.3
157.40495	1.1
159.11658	3.7
161.13275	4.2
163.07535	7.0
163.11183	2.7
163.14803	35.3
165.09052	1.5
165.94864	1.3
168.49390	1.2
169.10069	1.3
171.11716	1.6
173.09612	1.8
177.05420	3.0
177.12720	1.2
177.16345	5.8
179.07193	1.2
187.14810	5.1
189.16360	55.4
191.10684	1.6
197.13211	2.2
205.15865	25.0
207.17419	67.0
215.14272	1.4
231.51022	1.2
233.15344	100.0
234.15648	3.3
249.18431	2.1
251.16364	20.0
261.18579	5.7
303.23236	2.0
315.23120	3.2
419.32895	2.2
437.34039	5.1
455.35120	44.0
456.35468	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	454.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.6
57.07072	35.9
66.08489	1.5
67.05476	2.1
69.07053	2.5
71.08625	25.1
71.60954	2.1
73.06535	6.6
79.05467	2.6
81.02824	1.6
81.07024	3.2
83.08612	3.2
85.10175	21.9
87.04442	2.2
89.06020	100.0
93.06966	1.7
95.08598	3.2
97.10163	5.0
99.11713	4.6
107.07060	5.5
107.08550	2.4
117.09113	2.2
130.08571	2.9
133.08589	49.1
136.10675	1.6
155.17911	5.2
177.05472	2.7
177.11194	16.4
199.20628	3.1
239.14897	3.7
243.23196	8.0
283.17444	13.0
287.25842	4.9
393.32199	2.2
437.34790	16.3
441.63196	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	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91403	0.2
69.80053	1.2
86.06092	0.2
94.92962	0.3
98.21467	0.2
107.41203	0.2
112.89599	45.7
114.89326	0.9
117.33500	0.2
131.01880	0.3
137.01877	0.2
159.17488	0.2
161.02986	0.2
172.03148	0.2
172.90732	0.4
173.03012	0.3
190.91823	0.5
203.03941	0.2
223.79385	0.2
225.50854	0.2
254.03772	0.2
274.93967	0.3
292.25809	0.2
352.96002	0.3
364.95871	0.3
409.03339	0.2
455.11597	100.0
456.11829	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	455.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.9
54.45079	0.8
55.05439	3.0
56.96507	1.6
57.03371	0.9
57.07022	1.1
57.76772	0.7
61.05669	0.8
61.33414	0.8
67.05418	5.0
69.03333	3.5
69.05817	0.8
69.06976	4.5
70.06506	4.1
71.04945	1.5
71.59845	1.1
71.60207	0.8
72.08092	0.7
76.81550	0.8
79.05398	3.6
81.03324	3.6
81.06960	5.6
83.04890	2.6
83.08537	1.6
84.04426	1.2
84.08040	2.3
85.02886	3.9
85.06483	1.7
86.09605	3.3
86.10065	0.9
87.36793	0.6
91.03859	0.9
91.05471	4.3
93.07035	5.8
95.04871	2.6
95.08599	4.0
95.88116	0.7
97.02792	2.1
97.06437	3.3
99.04356	1.7
100.04670	0.6
100.11185	1.5
101.02255	0.7
103.23637	0.7
105.07010	5.6
107.08582	5.0
108.21490	0.6
109.02808	1.4
109.06448	1.6
109.10147	3.7
110.07087	0.9
111.04428	0.9
116.98499	1.0
117.06893	1.4
119.04834	1.0
119.08588	5.8
120.08004	1.1
121.06422	1.5
121.10133	3.6
123.08004	1.4
125.09553	2.0
127.03841	2.3
129.06920	1.3
131.08458	3.1
133.06288	1.0
133.10086	3.5
135.07976	1.1
135.11598	1.9
136.07532	1.4
137.05873	1.7
137.09505	3.3
143.08450	2.0
145.04900	0.9
145.06429	0.9
145.10028	2.5
147.04269	2.2
147.11546	2.5
149.09537	2.2
151.07477	1.8
151.11119	1.6
156.10188	0.9
157.10176	1.7
159.11588	1.9
161.13127	2.5
163.11086	1.4
165.07803	1.1
165.09090	17.2
171.11641	1.6
173.09410	1.2
173.13213	1.3
175.11259	1.0
177.09125	1.1
179.10687	0.9
181.10020	1.1
185.04074	0.7
187.11166	1.2
187.14766	1.0
189.09048	1.0
189.12675	1.2
191.10559	1.6
203.10596	1.6
205.12143	2.0
207.13768	1.0
243.09225	0.9
267.09015	0.8
275.16165	0.8
285.10059	2.6
286.10629	0.8
293.17194	100.0
294.17496	2.2
302.04239	0.9
303.10965	1.3
324.11600	1.3
332.11209	1.1
437.30869	1.2
455.22623	79.5
455.32321	2.1
456.23108	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	454.2924
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
54.35049	0.5
55.05515	2.5
56.96553	0.5
57.03430	3.7
57.07073	21.6
58.37729	0.5
62.06083	23.8
67.05495	5.0
69.03400	0.5
69.07057	3.7
71.08218	0.8
71.08627	16.0
79.05524	0.7
81.07053	5.2
83.08606	3.7
85.10176	8.3
88.02920	0.5
89.06012	0.5
93.07043	0.5
95.08598	7.3
97.10149	2.1
98.98460	6.3
103.07588	0.6
109.10124	3.3
123.11710	2.2
124.01575	1.5
131.08563	0.5
137.13283	0.7
142.02635	1.0
155.01047	6.2
173.02071	1.3
177.05504	0.6
198.05316	1.4
216.06335	2.6
239.23705	2.2
282.24896	0.9
282.27896	11.7
313.27338	100.0
314.27792	1.5
333.53781	0.5
393.24075	5.1
436.28314	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	454.2926
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
55.03635	0.7
55.05515	3.9
57.03436	8.1
57.07074	26.1
62.06078	1.1
67.05499	5.9
69.07059	4.6
70.66852	0.9
70.67209	2.5
71.04994	0.8
71.08626	17.2
81.07050	7.3
83.08627	5.5
85.02907	0.8
85.09732	0.7
85.10188	9.6
89.06011	1.8
93.06990	0.8
95.08601	10.3
97.10162	2.3
105.07015	1.0
105.34995	0.7
109.10147	4.1
123.11665	1.6
144.04385	0.8
165.88412	0.8
180.88531	0.7
204.32050	0.8
229.24518	0.7
239.23703	1.3
257.24734	1.4
282.27905	60.4
283.28238	1.6
313.27341	100.0
314.27686	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01868	1.2
55.05503	2.5
56.05020	1.4
56.96579	0.9
57.03421	3.0
57.07059	1.3
58.06590	0.7
58.11319	0.7
59.06096	0.8
61.02911	0.9
67.05499	2.8
69.03420	2.9
69.07056	3.0
70.06590	14.6
70.16309	3.6
71.04981	1.7
72.08141	4.5
79.05497	2.3
81.03412	5.9
81.07060	4.4
83.04955	1.2
83.06046	0.8
83.08588	0.9
84.04501	1.7
84.08144	7.1
85.02897	4.2
85.06544	1.4
86.06047	3.2
86.09707	7.0
88.03972	1.0
90.09621	0.8
91.05480	4.7
93.07039	2.1
95.04939	2.6
95.08614	2.0
97.02888	2.2
97.06535	2.1
98.97590	1.0
99.04471	1.2
99.08069	1.6
103.05452	1.0
105.01874	1.1
105.06985	1.8
107.08591	1.6
108.08165	0.8
109.02867	3.6
109.06499	1.3
109.10155	3.6
110.03494	1.6
110.07137	2.7
110.09669	0.9
116.07095	1.0
119.08570	1.9
120.08105	4.0
121.06513	1.5
121.10136	1.3
123.08033	1.7
124.03983	1.1
125.09635	0.9
126.05538	1.2
127.03911	2.8
127.11205	3.6
128.04539	1.0
128.07104	0.9
129.10225	3.4
131.08583	1.5
132.95872	0.9
135.03003	2.5
136.07568	2.8
137.09621	1.2
138.09169	1.1
147.04379	1.2
147.11607	1.1
149.09674	1.7
152.05672	100.0
153.04089	12.5
153.12744	1.4
155.08067	0.9
155.14340	4.4
156.07762	1.0
159.02917	0.8
171.13799	4.4
177.12642	0.8
177.92767	0.7
189.12755	1.8
193.12285	1.2
327.03690	1.6
339.59647	0.8
349.22516	0.8
362.18237	2.2
436.21838	3.4
454.19858	5.8
454.28342	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	453.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.63467	0.5
56.96568	0.6
57.03431	0.5
61.02931	0.6
62.99072	16.7
65.00638	10.0
65.93274	0.5
67.05497	3.1
69.03423	1.1
70.06577	1.5
71.04993	0.9
71.06397	1.1
71.06761	0.9
72.08144	1.0
79.05480	0.7
81.00130	2.5
81.02993	0.6
81.03403	3.0
81.07051	2.9
83.05009	0.8
84.08127	1.0
85.02906	1.2
86.09740	0.7
91.02187	3.3
91.05483	0.8
93.07046	1.3
95.04970	1.3
95.08603	1.5
97.02859	0.5
97.06499	1.2
99.04480	0.8
100.11255	1.8
105.07034	0.8
107.08567	0.9
109.03212	100.0
109.10152	5.7
117.02715	0.5
117.07007	0.5
119.08587	1.3
120.08103	1.2
125.05979	0.7
127.03900	1.5
135.08060	0.7
136.07585	1.2
137.09602	10.2
137.82434	0.5
165.05447	0.6
165.09091	7.4
175.65901	0.5
183.10197	0.6
201.11331	0.7
209.16493	0.6
210.15053	0.5
219.55681	0.5
268.60992	0.6
291.11966	3.1
299.85870	0.5
309.13647	1.0
327.14368	0.9
355.11700	0.7
453.16595	4.0
453.34854	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	453.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.3
55.01864	3.1
55.05515	17.2
57.03415	5.0
61.02920	2.3
67.05498	6.8
68.99774	3.8
69.03427	22.0
69.07052	5.2
69.41516	4.2
69.41927	8.9
69.44574	1.3
70.06586	8.8
71.04990	11.0
72.08141	3.6
75.37466	1.6
79.05495	4.0
81.03413	50.3
81.07050	9.3
82.03757	1.7
82.06555	2.0
83.04963	5.8
83.08613	6.3
84.04494	3.5
84.08140	6.8
85.02899	31.0
85.06518	1.5
86.09707	8.7
87.00794	2.8
89.04247	5.5
91.05470	5.2
93.07041	10.7
95.04965	6.4
95.08604	19.4
97.02886	61.5
97.06522	2.8
98.98488	1.4
99.04453	19.2
100.07604	2.4
100.11249	42.5
105.06992	8.5
107.04930	1.7
107.08592	25.1
108.05728	3.6
109.02870	58.1
109.06487	9.7
109.10136	11.1
111.04429	5.1
111.08054	4.6
117.07012	2.7
119.03835	1.3
119.08588	13.2
119.92641	1.4
120.08106	2.5
121.06525	5.5
121.10137	9.7
123.08060	59.6
124.99981	5.9
125.09630	2.6
127.03908	100.0
128.07045	3.1
129.06915	1.5
129.10262	4.2
130.83394	1.3
131.08588	4.4
133.10135	8.2
135.08044	22.5
135.11676	20.3
136.07579	2.7
137.05975	6.6
137.09601	35.2
138.09122	3.2
139.08640	4.3
143.10645	2.6
144.09290	3.5
144.10970	1.6
145.04970	4.9
145.10092	2.3
149.13245	16.7
151.07555	2.8
159.11687	39.7
163.07433	1.6
166.08513	1.5
169.08609	4.8
170.12497	1.7
170.90097	1.6
172.76793	1.4
175.08701	2.5
176.29680	1.4
177.12730	73.2
181.08667	2.0
182.15408	13.3
187.01942	4.6
191.08223	8.5
192.08482	4.8
193.08635	3.5
195.12001	1.7
195.12425	0.9
195.13791	40.7
205.12218	15.7
209.16452	12.3
210.14867	11.7
213.03932	22.9
223.13275	54.2
226.19135	5.7
241.14355	2.9
309.13501	2.9
326.28024	2.5
336.22775	2.1
356.09592	1.6
368.21768	1.7
435.17276	1.9
435.33411	20.7
442.83508	1.6
453.17572	3.4
453.34351	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	453.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01637	0.3
55.93520	0.9
56.05029	0.4
56.96555	0.6
60.04520	0.5
60.16972	0.2
64.14059	0.3
65.03925	1.6
69.03403	0.3
70.06591	3.0
70.50564	0.8
70.95862	0.8
71.04983	0.3
72.08144	1.8
72.93789	1.0
74.06069	0.6
79.05502	0.3
80.05026	0.2
81.03416	0.5
83.04983	0.5
84.04500	1.2
84.08144	3.0
85.02882	0.5
86.09707	1.4
90.09227	0.3
90.94827	0.5
91.05474	17.4
92.05819	0.5
95.04945	0.6
97.02882	0.3
100.96574	0.3
102.05534	0.3
103.05457	0.3
104.06797	0.2
107.04981	0.4
108.95853	0.4
110.07150	0.9
119.04935	34.2
120.05283	1.4
120.08083	2.5
121.02872	0.7
129.10223	1.8
130.05006	0.3
132.95862	0.5
136.07571	1.2
147.04399	100.0
148.04742	3.8
150.96950	1.2
150.97945	0.3
158.97362	1.6
160.18085	0.3
161.01236	0.3
162.96808	0.3
163.03906	0.3
172.98869	0.3
176.98459	2.3
189.00041	0.4
190.97955	0.4
196.98999	0.4
200.98331	0.6
202.97881	0.7
206.97400	0.6
208.98950	0.9
216.99454	0.8
218.97395	6.6
218.99405	0.4
219.97826	0.3
220.98969	1.7
222.97029	0.5
224.98347	0.5
228.97983	0.6
234.96986	0.4
235.00479	0.6
236.96240	0.5
236.98454	5.4
237.00661	0.4
237.98865	0.3
252.97867	0.8
253.98546	0.3
259.97659	0.3
260.98422	4.7
271.00613	1.8
277.01614	0.4
278.99487	1.7
286.99982	6.3
288.97592	0.4
289.00992	0.4
295.12830	0.3
303.08585	2.9
305.00967	0.6
307.00970	0.3
314.99326	0.6
321.09576	2.2
329.00995	1.1
333.00555	0.7
347.02087	3.2
357.00375	0.6
365.03149	2.1
375.01538	3.4
393.02588	6.6
411.03387	0.4
417.02649	0.4
434.05240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
56.05024	0.5
57.07064	0.2
58.06577	1.1
59.07373	0.2
60.08158	10.9
69.07063	0.5
69.38132	0.7
69.38557	0.5
71.07368	3.5
77.14727	0.1
83.08607	0.3
84.95273	0.1
86.09698	25.7
91.05507	0.2
93.07044	0.1
97.02869	0.1
97.10139	0.2
98.06010	0.1
98.98453	3.2
104.10734	100.0
105.11057	0.7
124.99991	18.5
143.01035	0.4
184.07323	23.3
185.07707	0.1
195.57236	0.1
280.26276	0.3
434.33762	0.2
452.34976	18.4
453.35123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35459	0.4
53.03926	1.0
54.26478	0.5
55.01862	2.0
55.05508	3.2
57.03429	0.5
65.03954	0.5
67.05495	5.2
69.03412	1.3
69.07056	5.2
69.50009	2.5
69.50429	1.1
70.06551	0.5
71.04971	2.2
79.05494	6.8
81.03393	0.9
81.06570	0.8
81.07047	13.6
83.04975	7.1
83.08601	2.0
85.02917	0.9
85.06535	2.3
86.09677	0.8
91.05468	20.2
93.07030	16.1
93.07622	0.9
93.36126	0.5
95.04962	8.7
95.08593	9.6
97.06522	10.2
99.04441	2.6
101.05981	0.9
103.05466	0.5
105.07021	13.0
107.04944	5.6
107.08585	7.8
109.06508	6.5
109.10126	3.0
110.19415	0.5
111.08072	8.0
113.06005	1.1
117.06997	0.8
118.06528	0.9
119.04929	19.1
119.08554	6.8
120.08048	0.5
121.06487	11.6
121.10130	2.3
123.04414	18.1
123.08048	1.4
123.11704	3.1
125.05973	5.1
127.07541	1.3
129.06976	1.3
131.08568	2.2
133.06485	1.2
133.10100	6.7
134.06059	0.6
135.04414	0.7
135.08017	4.1
135.11649	0.5
136.07559	100.0
137.05981	1.2
137.07880	0.9
137.09569	0.7
139.07504	5.8
141.05446	0.7
141.06944	0.6
142.07739	1.3
143.07056	3.2
143.08536	1.9
145.10071	2.4
147.04402	7.1
147.08006	1.4
147.11671	12.8
149.09608	0.5
149.13239	1.8
151.11108	2.1
153.09085	0.5
157.08626	1.2
157.10123	3.9
159.06522	1.5
159.07954	0.6
160.08804	0.5
161.05995	0.9
161.13220	2.7
162.05486	2.9
163.03918	0.5
163.11133	0.6
163.14787	1.0
165.05455	26.7
165.12711	4.0
166.07651	0.5
167.14255	0.5
169.12218	5.5
171.08113	0.6
171.11644	3.7
173.09549	0.9
173.13289	0.5
175.11153	9.8
175.12523	0.8
181.10201	0.5
182.08107	38.1
183.08577	0.4
183.65019	0.4
189.12720	6.1
191.14284	1.2
193.12215	8.4
199.11160	4.5
207.13745	2.2
209.15335	0.4
211.13275	6.0
215.07030	0.6
216.10368	0.6
217.12222	13.0
218.11909	0.9
229.14346	1.5
232.13290	0.9
234.14886	0.7
235.13234	6.0
252.15868	1.2
253.14316	4.4
259.09683	0.8
260.10034	0.7
260.12762	1.0
264.12244	1.0
270.17075	2.4
278.13889	1.3
288.15765	0.5
306.13147	0.7
316.15704	0.6
324.19489	0.5
326.21136	0.6
328.18790	0.8
334.17288	0.5
342.20667	0.8
344.22098	2.5
346.20117	1.7
352.19012	6.9
366.91406	0.4
370.20081	15.1
371.20520	0.6
372.21548	0.8
374.19568	1.2
388.21143	20.9
388.26178	1.0
389.21494	0.6
390.22650	1.2
392.20471	2.0
398.19611	1.8
406.22263	3.8
416.20392	2.9
434.21695	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	452.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64758	0.3
53.03929	0.5
65.03941	1.7
66.62856	0.3
66.63217	0.3
67.05180	0.4
67.05499	6.0
68.05023	0.4
68.99765	1.3
69.03413	0.4
69.07028	1.3
70.72092	0.8
70.72446	0.4
79.05489	2.9
80.05793	0.6
80.88136	0.4
81.03382	1.0
81.05775	0.4
81.07027	0.6
91.05454	0.4
92.02059	0.4
92.02612	5.0
93.03392	4.0
93.07024	0.3
94.04159	0.3
94.06014	0.5
94.06562	6.6
95.01332	0.5
95.04958	1.8
95.08569	0.5
96.08129	1.8
97.06523	5.8
98.06830	1.4
107.01204	0.3
107.04906	0.7
109.02843	0.8
111.00781	1.6
117.07038	0.3
120.02098	0.4
121.02847	4.6
121.06516	0.3
122.03643	0.4
122.06018	7.6
123.04369	0.5
123.06818	0.4
124.07593	1.6
126.03088	1.3
127.03844	0.4
133.02843	0.4
133.06488	0.4
135.04362	0.7
135.07954	0.3
137.01343	0.4
137.02333	5.4
137.05875	0.3
145.02809	0.4
145.06410	0.7
147.04385	0.4
149.02277	0.9
150.05493	12.7
152.07050	7.5
153.01814	31.1
159.04373	0.4
161.02365	0.3
161.05968	0.5
162.02710	0.5
163.03879	2.8
164.04193	0.9
165.01810	3.3
166.02551	0.9
170.02100	0.5
172.05106	0.4
173.02324	0.8
173.05930	1.0
174.02704	0.4
179.03358	0.9
183.02824	1.2
183.04277	0.4
187.03825	0.5
189.05444	0.7
190.06178	0.4
191.03447	0.4
200.04672	1.3
201.05473	3.8
203.03447	3.1
204.04172	0.5
205.04848	0.6
215.07040	0.8
216.07324	1.2
217.04961	5.9
218.05603	2.0
219.02867	1.2
219.06465	0.4
228.04164	5.1
229.04942	10.5
229.58784	0.3
230.05623	0.4
231.02855	1.5
232.03749	0.4
239.03459	0.4
245.04439	7.1
246.05164	4.2
247.06012	1.6
247.08603	0.3
256.03769	0.5
257.04395	6.8
259.09689	2.6
260.03217	0.7
260.09964	4.0
269.04446	0.5
273.03885	5.0
274.04669	10.5
275.05389	1.0
284.03143	1.2
285.03879	4.3
286.04556	0.6
287.02054	0.4
301.03372	3.6
302.04190	70.7
303.04956	100.0
304.05209	2.7
313.03293	0.9
328.04504	2.6
331.04471	0.8
340.97134	0.3
353.10260	1.0
360.22269	0.3
378.09537	0.7
379.07977	1.7
388.08160	0.5
406.09140	1.5
406.14349	0.4
412.82111	0.4
424.10291	5.1
434.08673	7.1
435.08972	0.4
452.09729	31.0
453.10101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.7
55.05504	1.5
56.05016	2.8
56.63843	1.0
56.96576	1.2
57.03429	6.1
61.02919	10.0
61.77499	1.1
65.03922	1.1
67.05489	3.6
69.03426	12.9
69.07058	1.7
70.06588	21.3
70.98969	2.2
70.99306	1.6
71.01350	2.8
72.08147	3.6
73.02912	55.6
74.06071	2.2
79.05489	3.6
80.95911	1.0
81.03422	6.4
81.07044	3.7
82.06592	1.2
83.04933	1.8
84.04497	9.2
84.08140	21.3
85.02899	79.9
85.08443	1.3
86.09704	8.6
88.03981	4.8
91.03928	2.3
91.05475	2.6
92.04943	1.6
93.07029	1.4
94.06583	1.6
95.04965	4.2
96.04489	1.7
96.08120	2.1
97.02884	32.4
97.06499	2.4
98.02436	1.5
99.04463	2.7
102.05527	4.9
103.03937	5.0
106.06544	6.1
108.08115	9.4
109.02868	9.7
110.05970	1.8
110.07150	1.8
112.07613	1.3
115.03919	6.1
116.98523	1.3
119.04951	2.2
120.08084	1.8
121.02868	14.4
121.06479	4.6
122.06039	5.5
124.07576	4.9
125.05988	5.5
126.05514	4.7
126.09143	1.5
127.03909	23.4
129.10237	9.9
130.12245	2.7
133.05011	2.3
134.06006	4.5
136.07541	13.1
137.05949	2.1
140.07057	68.7
142.70322	1.1
143.00168	1.1
145.04951	36.5
146.11732	1.8
147.04379	4.2
150.07605	2.4
150.09149	2.2
152.07050	20.4
154.08603	4.5
159.91911	1.2
163.06004	19.7
164.07051	18.2
170.08115	7.5
177.05426	1.7
178.08614	12.4
181.06023	1.9
182.08116	100.0
206.08112	49.4
217.08176	6.4
218.08180	4.4
220.09679	1.5
236.09154	6.6
237.02805	1.2
245.07677	2.3
248.09178	11.6
259.09564	2.3
265.07065	1.1
266.10263	5.6
284.11249	10.0
302.12292	22.6
329.21890	7.5
330.13275	1.5
366.02634	2.2
384.73511	2.3
434.13925	1.6
451.16043	1.6
451.25729	1.8
451.75430	1.4
452.15396	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	451.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24848	0.7
51.76027	0.8
54.75624	0.7
55.01865	2.3
55.05502	2.1
57.03436	1.7
66.66800	0.7
67.05500	5.4
69.03439	1.6
69.07063	10.7
69.50159	7.5
79.05486	10.3
81.03407	0.9
81.07053	1.7
83.04963	1.9
85.02925	0.7
89.03918	3.0
91.05492	1.2
93.07019	1.6
93.37847	0.8
95.04949	2.4
97.06529	78.1
98.06852	1.1
98.20749	1.9
105.07044	1.3
107.08577	2.0
109.06508	0.8
109.10118	1.3
117.03378	4.0
119.08575	1.0
122.06017	0.9
122.96540	0.8
131.08598	1.1
133.02827	1.8
133.10127	1.1
134.03738	0.9
135.04401	8.1
137.05995	1.2
145.02838	5.7
145.10114	1.3
147.08101	0.9
159.04420	4.7
161.02336	13.6
163.03903	44.9
173.02338	25.7
185.06001	1.4
187.07632	1.2
191.03400	2.3
215.07025	33.8
241.08537	1.2
247.61522	0.9
251.45953	0.9
259.09656	100.0
260.10025	3.2
302.04312	1.1
303.05270	1.2
325.68024	0.9
359.22028	2.8
433.25748	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	451.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95530	1.9
55.05501	6.7
56.05031	6.2
56.94306	3.2
60.04516	6.7
61.51204	2.1
65.18887	2.0
68.05025	2.4
69.03426	8.3
70.06589	47.0
70.95866	11.0
71.58976	3.0
72.08147	6.8
72.93783	22.4
73.06537	4.0
74.06076	5.1
74.95351	2.0
81.03408	7.9
84.04503	23.0
84.08141	59.9
85.02892	11.8
86.09698	28.2
88.03984	7.9
88.96878	4.4
90.94817	22.6
91.05476	4.4
95.04946	2.2
97.02879	6.1
97.06499	2.2
98.02390	5.1
98.97599	3.1
99.05577	2.3
101.06014	4.4
101.18083	2.0
102.05544	8.1
102.94833	3.0
106.97948	2.1
108.95852	13.1
109.02868	5.9
110.06104	2.0
110.07158	2.8
112.03951	2.1
114.94755	3.3
116.98593	2.8
117.03371	4.5
120.08099	2.5
121.06487	3.8
127.03922	4.4
128.96332	5.0
129.06590	3.0
129.10240	30.2
130.97879	2.2
132.10175	2.3
132.95825	51.1
133.44173	2.3
134.97400	7.6
136.03903	2.3
136.07666	2.1
136.95345	2.7
139.05037	4.1
141.10204	2.5
144.95810	19.3
144.99471	9.4
145.02826	8.4
146.11745	6.0
146.12837	2.3
146.97382	10.9
147.00969	3.9
147.04437	5.7
148.98943	4.7
149.05949	2.1
150.96892	59.3
156.95863	7.2
157.06136	2.6
158.97391	35.7
159.01097	2.3
160.95267	2.5
160.98976	3.1
162.55296	2.3
162.96887	21.2
163.00504	30.3
164.98454	5.9
168.95825	20.1
170.97394	3.8
172.06111	2.6
172.98981	2.4
174.96893	100.0
176.98459	29.6
177.05482	13.8
178.99899	2.0
181.01492	4.9
181.04607	2.3
181.06084	9.2
186.02162	2.1
186.12332	2.7
186.96886	34.8
187.00514	16.5
188.98479	15.9
190.99965	5.4
192.97932	17.5
198.96869	18.0
199.00568	6.2
200.98450	14.0
202.96405	2.1
202.99942	4.4
204.97972	10.6
205.01582	76.2
213.02000	2.7
216.97925	59.8
217.01440	22.2
217.08293	9.6
221.00888	4.1
223.02544	3.9
228.98022	4.4
229.01620	10.2
230.99420	3.4
231.03195	8.3
231.47963	2.2
233.01128	2.5
234.98975	60.6
235.02571	3.8
241.01608	7.8
245.07693	5.3
247.02643	39.2
253.00046	7.1
258.00723	3.4
258.99008	15.1
259.02481	11.9
277.00061	26.4
282.99030	3.4
289.03766	20.6
295.01083	5.0
305.03055	2.3
307.04739	79.0
308.05389	2.8
319.04370	2.2
325.05978	6.8
329.21780	14.6
329.71915	5.3
331.04675	7.5
349.05783	74.3
384.73538	5.1
390.08276	3.5
391.06796	9.5
442.24503	2.5
451.16937	2.4
451.25439	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	451.048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30830	1.2
56.96553	4.5
57.03411	1.9
69.03439	1.5
69.96856	5.0
70.06592	3.0
72.08123	1.4
84.04464	1.6
84.15644	1.3
85.02893	5.7
86.92838	1.4
91.05462	2.8
97.02883	2.9
98.97567	3.8
101.00893	2.3
110.21704	1.4
116.98602	3.3
119.01913	12.6
119.04971	2.8
125.96355	1.3
127.03875	2.6
131.00200	2.6
133.03456	2.2
134.99675	1.8
137.02962	2.4
143.01898	4.7
146.99626	2.0
147.04385	12.8
149.01222	2.7
161.02956	8.0
175.04488	2.3
177.00728	2.0
203.04008	1.9
213.06079	4.1
219.07137	3.4
221.05058	2.0
232.99709	1.4
237.02890	2.5
245.05089	1.5
255.07129	4.3
256.36490	1.4
295.07147	1.6
315.09073	5.0
333.10565	1.5
383.10623	1.5
451.04834	100.0
452.05392	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	451.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01849	1.6
55.05492	1.9
57.03425	1.0
62.48051	0.6
62.80942	0.5
64.02826	0.5
65.03940	0.8
67.05498	3.0
69.03419	4.0
69.07054	1.7
70.03751	0.7
70.06596	3.1
70.43648	1.2
71.05004	0.9
72.08137	1.7
78.03442	2.7
79.03757	0.7
79.05488	2.9
80.04998	0.6
81.03410	3.8
81.07026	2.2
82.03746	0.7
83.04977	4.2
83.08618	0.6
84.04464	0.8
84.08119	1.3
85.02910	3.8
85.06529	1.0
86.09704	8.7
89.03931	0.6
91.05457	2.3
93.03407	1.1
93.07055	2.9
95.04964	3.6
95.08591	1.3
96.04481	1.7
97.02907	3.1
97.06528	11.4
99.04448	0.9
103.05466	0.9
104.17375	0.5
105.07027	1.6
106.02905	10.5
107.03249	3.9
107.04902	0.8
107.08601	1.1
109.02847	3.3
110.03185	0.6
111.04445	3.0
114.12296	0.5
117.03347	1.0
119.01907	0.7
119.04907	0.6
119.08600	0.8
120.08099	14.8
121.02852	1.1
121.06480	0.7
121.08392	0.5
121.10137	0.6
123.04436	4.6
124.03947	15.2
124.04766	1.5
124.07558	1.1
125.04273	5.3
127.03895	2.8
127.04797	0.7
128.06166	0.8
129.05493	1.1
129.06969	0.8
129.10240	0.8
131.04875	0.7
131.08505	1.0
133.10149	0.8
135.04391	3.7
135.07990	0.6
136.07599	1.1
137.05907	1.1
139.03885	1.3
141.06976	1.2
142.07808	0.9
143.04973	0.6
143.08551	1.3
145.02823	1.0
145.06419	0.8
147.04410	1.3
147.08109	0.7
147.11658	1.3
149.05940	0.8
150.72099	0.6
152.06129	1.1
157.04968	0.7
157.06465	1.4
157.10101	1.1
160.05037	0.6
161.02281	0.9
161.05980	3.7
163.03906	16.3
165.05473	1.5
166.05830	0.8
167.03215	2.8
167.07281	0.6
167.08585	6.8
169.06447	2.3
171.00497	1.6
171.07996	1.3
171.11488	0.8
173.02263	1.2
173.05946	1.6
174.06766	2.7
175.03923	0.9
175.07478	2.7
177.05371	0.6
177.10205	0.9
181.09990	0.6
185.05960	1.1
185.09569	1.6
187.06102	0.7
187.07477	2.7
189.05466	1.7
189.09065	4.1
195.08047	8.2
197.06013	1.8
197.09578	0.8
198.06775	1.6
199.07489	0.8
200.04611	1.7
203.03136	100.0
204.03429	1.4
205.08598	2.5
211.13229	1.0
213.05881	0.8
213.09088	14.0
215.07019	8.4
215.10574	1.3
217.08580	1.0
217.12125	0.6
221.04240	0.5
223.07529	1.9
227.05275	2.5
231.10150	8.1
235.13159	1.1
241.08557	6.0
243.08794	1.0
247.13054	0.7
247.53343	0.6
249.11334	0.9
250.07080	3.3
251.07443	3.7
253.14462	1.0
259.05618	0.7
259.09631	33.3
268.08170	4.4
269.08499	6.8
271.04230	37.5
277.10687	1.6
278.57495	0.6
279.17117	1.4
287.05597	1.1
289.05978	2.3
289.11981	0.9
309.04065	0.6
365.08420	0.8
378.15384	1.1
387.20099	0.6
407.09430	7.1
433.15128	1.0
433.24606	0.7
451.08405	29.1
451.15320	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	451.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96537	0.8
61.81421	0.8
61.90192	0.9
67.23206	0.9
70.40020	0.8
70.71934	1.0
70.72266	1.7
81.95686	0.8
104.10715	0.8
110.94313	0.8
119.01878	1.6
139.73831	0.8
148.18848	0.8
196.20630	0.8
213.05975	1.2
296.96570	0.9
361.69644	0.9
391.03076	1.5
451.04852	100.0
452.05118	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.5
53.03929	2.0
54.45317	0.8
55.01846	0.9
55.05494	1.2
56.05009	2.1
56.96558	1.9
57.03418	2.1
60.04521	2.3
69.03422	7.7
69.07063	1.3
70.06589	10.9
71.04987	1.6
71.59249	1.3
72.08144	7.9
73.08468	0.9
74.06073	1.7
74.09726	1.1
78.03445	11.0
80.05008	2.7
81.03412	18.4
83.04935	1.0
84.04500	2.2
84.08146	9.0
84.18658	0.9
85.02901	8.5
86.09700	7.8
91.05473	11.2
95.04948	3.6
96.04482	6.7
97.02863	5.3
99.04440	3.6
102.05579	2.2
106.02907	58.4
107.04920	1.9
109.02863	8.6
109.06503	1.0
110.07109	2.8
111.04427	1.2
111.05492	1.0
119.04940	13.9
120.04473	2.2
120.08064	3.1
121.04784	1.0
121.06490	3.4
122.05952	1.1
123.04434	11.8
124.03941	100.0
127.03914	5.2
129.10216	6.3
130.06459	1.2
130.92181	0.8
132.04427	3.7
133.04773	1.9
134.05995	2.2
136.07567	21.6
137.05963	1.4
146.05960	1.3
147.04401	14.7
148.04819	1.2
151.06200	1.2
157.07593	1.3
163.00577	1.3
165.05455	11.4
166.04984	1.4
182.08109	8.6
201.08662	1.3
202.09735	1.1
202.12518	1.2
203.10091	2.1
203.15669	1.0
224.09146	3.5
230.08986	1.6
231.09637	1.1
232.06039	1.3
235.97604	1.9
250.07040	10.3
252.97801	3.1
257.08069	1.4
258.10638	1.0
259.11896	6.1
260.12198	12.7
268.08139	65.9
275.97150	1.5
287.05469	22.3
302.12360	3.1
303.12711	6.4
369.14206	2.6
403.14926	7.2
404.13464	3.0
407.17502	2.7
426.02399	1.7
449.14767	40.4
449.20163	10.9
465.97159	1.1
470.33646	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	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03932	0.5
55.01870	0.3
55.05492	0.6
56.05014	0.4
56.96557	0.5
57.03437	1.1
61.02923	6.4
67.05483	0.7
68.99770	1.0
69.03430	1.6
69.07056	0.5
70.06587	2.6
70.94289	0.5
70.94666	0.4
71.04984	1.5
72.08149	1.5
73.02914	1.6
79.05470	0.6
81.03394	0.8
81.07034	0.7
83.04982	0.2
84.04477	0.9
84.08131	1.3
85.02899	7.1
86.09691	1.6
91.03475	0.3
91.03954	3.0
91.05466	0.6
93.07045	0.6
95.04975	0.5
95.08580	0.5
97.02883	2.9
97.06505	0.8
98.97532	0.3
99.04440	0.5
99.81472	0.2
103.05509	0.2
105.03374	0.4
105.07028	0.4
107.04923	0.7
107.08587	0.3
109.02872	0.8
110.07148	0.5
111.00793	1.0
111.04396	0.4
113.07046	0.2
115.03915	0.5
116.07072	0.4
117.03373	0.2
117.06955	0.3
119.04948	0.3
120.08054	0.4
121.02856	4.2
122.06031	0.4
123.08063	0.2
124.07574	0.8
127.03903	0.9
129.05443	0.6
129.10228	0.9
129.70044	0.2
133.02802	0.6
135.04436	0.3
136.07559	8.6
137.02309	1.7
141.06970	0.3
144.08023	0.4
145.02831	2.4
145.04929	0.8
145.06503	0.4
147.04352	0.9
149.02306	0.2
152.07042	2.2
153.01823	5.2
157.06497	0.5
162.05513	0.5
163.03873	0.3
164.07056	8.0
165.01811	2.5
171.04332	0.4
173.05992	0.3
177.05440	0.3
182.08096	0.4
183.02861	0.8
185.05925	0.6
189.05493	0.3
195.13782	0.3
201.05370	0.3
203.07062	0.4
213.05476	1.8
219.01605	0.2
220.59132	0.2
227.46855	0.2
229.04936	1.2
231.06471	1.3
234.98825	0.2
241.04843	0.9
241.13306	0.5
257.04434	0.8
258.05295	1.1
259.05917	0.5
269.04657	0.4
271.05988	0.2
274.07202	0.2
285.03918	0.3
287.05475	100.0
288.02872	0.4
288.05817	4.1
291.09827	0.3
299.05460	2.6
300.06198	0.3
303.04956	17.7
304.05331	0.6
305.09354	0.2
311.05350	0.5
318.10928	0.2
325.07025	0.5
329.06458	1.8
339.08588	0.4
353.06528	1.8
356.21069	0.2
365.06378	0.5
383.07874	0.4
395.07648	0.2
403.06964	0.5
413.08734	0.6
431.09549	0.7
439.26309	0.2
449.10489	1.2
449.20105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03917	0.1
55.01853	0.2
55.05500	0.2
56.05020	0.2
56.96557	0.2
57.03428	0.2
60.04510	0.3
61.02913	0.5
62.06056	0.1
65.03935	0.1
67.05480	0.3
68.99785	0.7
69.03429	0.6
69.07046	0.2
70.06586	2.3
71.02277	0.2
71.02612	0.2
71.04959	0.2
71.06934	0.1
72.08150	0.8
73.02898	0.2
79.05461	0.4
81.03415	0.6
81.07040	0.2
82.06594	0.1
83.04953	0.2
84.04477	0.3
84.08139	1.2
85.02900	1.3
86.09695	1.1
88.29996	0.1
91.03933	0.2
91.05453	0.3
93.07043	0.2
95.04942	0.3
95.08585	0.2
97.02894	0.6
97.06496	0.2
98.97554	0.1
99.04416	0.1
102.05559	0.2
103.05415	0.2
105.03384	1.2
105.07009	0.3
106.02901	0.3
106.03632	0.1
107.04945	0.6
107.08589	0.1
109.02854	0.6
110.07133	0.3
111.00795	0.8
111.04418	0.3
116.07047	0.2
116.98618	0.1
119.04889	0.2
120.08106	0.5
121.02852	2.8
121.10129	0.2
124.03930	0.4
125.04287	0.3
127.03897	0.4
129.06944	0.3
129.10228	0.4
133.02814	0.5
135.04408	0.2
135.08008	0.2
136.07556	0.3
137.02336	1.0
141.07069	0.1
144.08020	0.2
145.05006	0.2
145.06442	0.3
147.04390	1.1
149.01195	0.2
153.01811	4.7
157.05138	0.1
157.06419	0.6
161.02278	0.1
161.05927	0.2
162.05392	0.1
163.03947	0.1
163.07559	0.1
165.01826	2.3
171.04433	0.3
173.12769	0.1
175.07564	0.2
175.11232	0.1
177.00513	0.1
181.08546	0.2
183.02882	1.1
185.05959	0.6
189.05432	0.2
197.01076	0.1
197.06012	0.3
201.05322	0.1
201.12456	0.1
203.03349	0.1
203.07014	0.3
213.05414	1.5
221.11739	0.1
223.06062	0.1
229.04866	0.2
231.06541	0.9
233.15089	0.1
237.02785	0.1
241.04982	1.0
243.06590	0.1
258.05261	1.3
259.05923	0.6
263.13940	0.2
269.04401	0.4
269.08643	0.2
269.20987	0.1
270.04996	0.1
287.05460	100.0
288.05801	3.5
299.05423	0.2
323.04382	0.2
329.06442	0.2
409.01868	0.1
431.14569	0.2
449.10309	1.0
449.14954	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	449.1074
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03423	0.5
61.02921	6.5
68.69881	0.5
68.99775	1.2
69.03422	1.2
70.33301	1.4
73.02905	1.5
81.03396	0.5
85.02899	6.2
91.03944	2.7
92.13914	0.4
95.04937	0.4
97.02889	2.6
109.02866	0.9
111.00816	0.7
115.03974	0.5
118.16343	0.5
121.02863	4.8
127.03925	0.7
133.02917	0.5
137.02345	1.4
147.04373	0.5
153.01859	4.9
157.06476	0.7
165.01788	2.6
183.02856	1.0
213.05466	1.7
213.46297	0.5
241.04979	0.8
258.05222	1.4
259.05927	0.8
269.41949	0.4
287.05472	100.0
288.05762	2.6
414.72705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58706	0.2
57.03427	0.5
61.02923	6.5
68.99794	0.8
69.03419	0.9
69.44080	0.7
69.44515	0.6
73.02913	1.6
79.05487	0.2
81.03384	0.4
85.02898	5.0
91.03954	3.8
97.02879	2.4
99.04427	0.4
99.59095	0.1
105.03380	0.3
107.04948	0.3
109.02876	0.5
111.00809	0.8
115.03896	0.3
117.06961	0.2
121.02856	3.2
123.83519	0.2
127.03887	1.1
129.06976	0.2
133.02817	0.5
135.04262	0.1
136.07518	0.2
137.02316	0.7
142.27820	0.2
142.29106	0.2
145.04973	0.4
145.06503	0.3
147.04396	0.6
153.01825	4.6
157.06487	0.4
165.01799	1.9
171.04460	0.2
183.02870	0.9
185.05998	0.6
197.06041	0.2
213.05435	1.8
217.48045	0.1
222.66896	0.2
231.06476	0.9
241.04953	0.6
258.05170	1.0
259.06006	0.2
269.04520	0.2
278.07324	0.2
287.05472	100.0
288.05829	2.5
299.05533	1.0
311.05411	0.2
329.06494	0.5
353.06668	0.5
431.09653	0.2
449.10437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01452	0.2
53.03920	0.2
57.03424	0.4
57.13802	0.2
59.93056	0.2
61.02922	6.3
67.01866	0.2
68.99789	1.1
69.03417	1.0
70.12025	1.0
73.02910	1.2
79.05488	0.3
81.03400	0.5
85.02899	5.5
91.03948	3.4
95.04965	0.3
97.02886	2.8
98.20892	0.3
98.97726	0.2
99.04441	0.2
105.03399	0.4
107.04919	0.6
109.02829	0.6
111.00800	0.5
121.02852	3.1
124.07597	0.3
127.03888	0.8
133.02843	0.5
136.07574	3.1
137.02319	1.4
145.04951	0.6
145.06471	0.3
147.04408	1.0
152.07051	0.8
153.01811	4.5
157.06468	0.5
164.07062	3.6
165.01860	1.6
171.04407	0.3
182.08014	0.2
183.02873	0.8
185.05978	0.4
189.05342	0.2
213.05432	1.5
229.05066	0.2
231.06482	0.8
241.04999	0.9
258.05200	1.1
259.06021	0.5
269.65753	0.2
286.04651	0.2
287.05475	100.0
288.05771	2.7
288.08704	0.2
299.05496	1.1
313.06921	0.2
329.06613	1.1
353.06470	0.6
356.04773	0.2
383.07715	0.2
393.22726	0.2
413.08313	0.2
431.09592	0.3
449.10611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Isorhamnetin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
53.03930	0.7
55.01862	1.0
55.05499	2.1
56.05030	1.1
57.03424	2.2
57.70830	0.4
61.01138	1.2
61.02924	2.6
65.03923	0.5
67.05495	2.2
69.03416	1.9
69.04158	0.4
69.07046	1.9
69.80031	3.2
70.06590	24.3
71.04980	0.9
71.06909	1.2
72.07786	0.5
72.08118	2.6
73.02914	15.5
75.04471	2.7
79.05477	2.0
79.05894	0.5
81.03410	2.0
81.07035	2.6
83.04977	0.8
83.08636	0.7
84.04504	1.4
84.08138	7.9
85.02912	3.2
86.09695	7.4
89.63902	0.6
91.05476	1.9
91.28230	0.6
92.02615	1.4
93.03413	1.1
93.07037	2.3
95.04990	1.3
95.08603	1.9
97.02901	1.4
97.06498	0.9
98.97559	0.6
105.07034	2.5
107.08563	1.5
109.02826	0.7
109.06532	1.2
109.10146	2.0
115.03899	1.3
117.06969	0.7
118.06878	5.2
119.08585	1.2
120.08097	4.2
121.02858	1.4
121.10104	1.1
123.08038	0.6
125.05982	0.6
125.09641	0.6
127.03926	1.4
129.10255	4.3
130.06525	2.3
131.08594	0.8
132.08052	0.9
133.10118	1.3
135.11688	0.9
136.06189	1.4
136.07582	3.5
136.53064	0.5
137.02319	0.8
137.05972	0.8
137.09627	0.8
139.03870	0.6
143.08606	0.5
144.08105	0.7
145.04964	0.8
145.10120	1.1
147.11577	0.9
151.03914	1.3
152.07072	1.0
153.01828	8.5
157.10072	0.8
159.09184	2.2
159.11723	1.1
161.13193	0.6
163.03860	0.6
163.08939	0.9
164.07071	3.4
165.01836	1.1
165.12799	0.6
171.11652	0.6
177.09055	0.7
186.51077	0.5
193.12308	0.5
201.05502	1.3
203.03397	0.7
217.13326	0.7
228.04141	1.6
229.04901	3.9
233.16519	0.8
237.02791	0.6
245.04495	1.4
246.05312	1.4
257.04419	2.7
260.03012	0.7
273.03979	1.7
274.04749	4.2
274.12247	1.5
285.03979	4.2
287.05481	8.2
287.14066	1.1
288.05972	0.8
301.15186	0.6
302.04218	13.0
303.04956	14.7
304.05362	0.8
314.66815	0.9
317.06546	100.0
318.07016	2.6
373.19006	1.7
373.51547	0.5
377.01602	0.6
431.20993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05003	1.7
56.96541	0.9
60.04522	3.0
60.05616	1.6
65.03928	0.6
69.63765	2.4
69.64188	1.5
70.06561	2.0
72.08115	1.7
79.05459	0.8
83.06093	2.4
84.04474	1.8
84.08090	1.1
85.02877	0.8
85.85308	0.4
86.09714	2.4
88.04018	0.6
91.05501	0.6
95.04914	0.7
95.06078	1.1
95.81713	0.6
97.02855	0.7
97.07641	0.6
98.97569	1.0
99.05498	0.6
104.06985	0.5
105.03381	2.6
105.05761	1.0
106.02879	0.8
106.05029	4.6
106.06513	1.7
110.07148	0.6
111.05541	7.6
112.89575	0.8
113.07101	1.6
116.98605	0.8
119.04925	0.5
120.03621	0.9
120.04457	16.5
123.05524	1.5
124.03934	0.9
126.05655	1.0
126.06619	13.0
127.07405	1.1
128.98611	0.7
129.10210	0.9
132.04439	25.5
132.08006	0.6
134.06001	11.2
136.50188	0.5
137.04680	2.8
140.08162	1.6
146.02391	1.1
146.99657	0.7
147.04370	1.5
151.06139	11.2
152.99635	1.0
158.06070	0.6
158.99660	0.7
161.07040	0.8
162.06638	0.6
168.00146	0.9
168.08751	2.6
177.00667	0.7
189.00716	1.4
198.01146	0.6
202.07954	1.1
202.09738	16.6
210.01196	0.9
216.11259	4.6
219.01859	0.7
228.07478	0.6
230.09225	12.7
231.12445	1.5
232.10782	4.8
240.02284	1.3
242.09198	5.0
257.10297	6.8
259.11877	91.9
260.12149	1.2
261.02792	0.8
277.12991	3.2
284.11353	5.2
291.04004	0.6
301.14029	10.0
302.12442	39.8
303.12830	1.3
319.15216	2.6
321.04843	0.6
362.18143	1.0
406.17154	15.7
430.18246	1.5
431.17142	0.7
448.19351	100.0
449.19733	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	448.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.0
53.03940	3.0
55.01862	1.1
55.05502	0.8
57.03426	1.7
60.04501	0.5
61.02923	0.8
65.03926	0.6
67.05499	1.8
68.05804	0.5
69.03428	9.9
69.07062	1.0
69.29445	5.2
70.06601	2.8
71.04984	1.6
72.08148	1.5
73.02913	1.4
75.43714	0.5
78.03445	13.4
79.05486	2.2
80.04997	2.2
81.03416	17.3
81.07051	0.8
81.96880	0.5
83.04990	0.7
84.08132	1.3
85.02904	10.1
85.93597	0.5
86.06065	0.6
86.09696	3.8
89.03912	6.0
91.03961	0.6
91.05483	1.6
93.03382	0.5
93.07043	1.2
95.04969	1.5
95.08614	0.8
96.04488	8.2
97.02887	6.9
97.06515	1.2
99.04457	3.0
101.02394	0.6
105.06984	0.7
106.02912	57.9
107.04953	2.8
107.08572	0.6
109.02872	11.2
109.06538	0.7
111.04416	1.7
111.24003	0.5
117.03385	6.7
119.04975	0.7
119.08581	1.5
120.08085	1.9
124.03949	100.0
125.04272	1.0
127.03912	6.8
128.04248	0.5
129.10275	0.7
135.03375	0.9
135.04413	17.1
136.07573	1.8
137.05968	3.3
137.74451	0.4
139.03876	2.0
145.02841	12.6
145.04913	1.0
146.05997	1.1
147.06329	0.7
147.07910	0.4
148.03966	0.7
148.07570	1.7
153.01772	0.6
163.03902	67.0
164.04295	0.6
166.04961	0.7
173.13127	0.5
181.04916	1.7
190.04977	0.7
191.05327	1.0
196.06062	1.1
208.06055	0.6
232.05914	0.6
250.07098	31.7
251.07448	0.9
259.11920	0.6
268.08151	56.9
269.08658	0.7
284.11053	0.6
287.05432	8.0
303.11133	0.7
304.11649	0.5
313.11719	1.1
363.07230	0.6
420.18747	0.7
430.11334	18.7
431.11511	0.9
448.12219	10.6
448.18320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95637	0.4
56.05005	1.6
60.05622	1.4
70.06547	0.8
71.04076	1.5
79.05492	0.6
81.50011	0.5
83.06063	2.0
91.05412	1.0
92.95203	0.5
95.05985	0.6
97.07615	0.6
104.04972	0.7
105.03386	2.5
105.05753	1.3
106.06534	1.5
111.05551	6.1
113.07116	0.9
119.97965	0.5
120.03622	0.8
120.04451	15.9
123.05513	0.9
126.06622	11.7
127.07399	1.0
131.12050	0.5
132.04434	22.7
132.08102	0.6
134.05989	9.1
137.04675	2.3
140.08160	0.9
145.03944	0.8
146.02356	1.8
147.05450	0.6
149.07028	0.7
151.06133	10.0
161.07103	0.5
168.08766	3.3
185.07037	0.6
187.07278	0.6
202.09737	15.0
202.66827	0.7
211.32582	0.6
215.07965	0.8
216.11308	3.9
227.09207	0.8
230.09229	9.7
232.10718	5.0
242.09126	4.0
255.08656	0.7
257.10275	5.3
259.11871	79.4
260.12210	1.9
276.14880	0.6
277.12927	1.9
284.11377	4.6
301.14035	9.2
302.12430	33.0
303.12704	0.7
319.15085	1.9
362.18118	1.6
406.17175	14.3
413.15924	0.6
418.81384	0.6
430.18204	1.2
431.16589	1.3
448.19351	100.0
449.19797	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	448.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.7
53.03935	3.0
55.01862	1.2
55.05493	1.4
56.05008	0.4
57.03421	2.0
58.05111	0.4
61.02914	1.7
65.03930	0.5
67.05498	1.8
69.03426	11.1
69.03802	0.7
69.07053	0.9
70.06582	3.6
71.04986	1.7
71.06635	1.0
72.08148	1.3
73.02894	1.3
74.44349	0.4
78.03446	11.2
79.05494	2.3
80.05005	2.7
81.03410	25.1
81.07045	2.0
82.03748	1.6
83.04969	1.3
83.08613	1.2
84.08124	2.0
85.02900	8.1
86.03228	0.6
86.06038	1.5
86.09679	2.8
89.03910	1.6
91.03954	0.9
91.05469	5.5
93.07027	1.4
94.07381	0.5
95.04958	1.9
96.04478	5.2
96.05071	0.6
96.05295	0.6
96.53253	0.6
97.02877	6.7
97.06507	1.0
99.04437	3.4
105.07040	1.7
106.02906	53.0
107.03259	0.7
107.04938	1.3
108.08084	1.0
109.02876	11.9
109.10110	0.7
110.06015	0.5
110.07172	0.8
114.94617	0.5
117.03414	2.5
117.07030	0.8
119.04945	3.1
119.08558	1.9
120.08088	1.1
121.10150	0.6
124.03942	100.0
125.04308	0.9
127.03915	6.1
129.10236	0.7
130.06465	0.6
131.04900	0.6
131.08585	0.7
133.10135	0.7
135.04382	5.6
136.07553	1.6
137.05962	26.4
137.09485	0.5
145.02817	3.1
145.04924	0.8
147.11716	0.7
148.07527	0.7
149.09572	0.7
150.05495	0.7
153.01843	0.9
157.10136	0.5
163.03889	23.8
164.04141	0.7
164.07053	0.7
165.01906	0.6
166.05028	0.6
176.07144	0.5
193.12245	2.8
194.12560	4.0
196.06042	1.2
208.05991	0.6
212.13623	1.1
232.06021	1.0
240.10254	0.7
242.10399	1.2
242.90303	0.5
243.09006	0.5
250.07086	26.7
252.09285	0.6
257.12836	4.4
267.08850	0.5
267.15710	0.7
268.08136	68.7
268.16125	2.1
269.08527	2.0
271.06000	0.8
272.06393	1.1
273.17883	0.4
285.12378	5.7
285.16943	0.8
286.17313	1.3
287.02170	0.8
287.05460	16.1
310.17377	0.6
313.11810	2.1
345.14450	1.0
363.15561	2.5
404.13431	4.5
430.11285	10.3
449.07468	0.7
449.15332	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	447.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.2
55.01865	7.1
55.05297	2.7
55.05510	31.7
56.96554	3.4
57.03434	14.3
60.25651	2.8
61.18557	2.8
63.02370	2.4
65.03927	4.0
67.05165	3.9
67.05505	67.5
69.03405	8.2
69.07063	23.6
70.06580	3.8
70.49861	2.5
71.04964	8.1
71.21703	5.8
76.57892	3.0
79.05061	4.3
79.05492	64.6
81.03418	79.3
81.07057	55.2
83.04990	16.9
83.08622	30.7
85.02885	10.8
85.06539	6.4
91.05471	60.0
93.07045	63.1
95.04965	49.3
95.08595	23.3
97.02867	7.6
97.06510	11.7
97.10170	18.9
103.05437	2.8
105.07026	37.1
107.04960	21.5
107.08592	37.4
109.02876	3.2
109.06518	12.4
109.10143	8.9
111.04441	3.3
111.08059	9.6
115.05431	4.3
117.06998	18.6
119.08577	27.3
121.06493	15.0
121.10140	14.0
123.08033	5.2
123.11676	3.2
125.09638	10.7
128.06210	4.6
129.06979	14.8
131.04887	4.0
131.08572	21.7
133.06482	9.9
133.10126	12.0
135.08055	6.0
135.11679	38.9
137.09589	6.3
141.06970	4.3
142.07785	3.5
143.08546	9.5
145.06483	11.4
145.10107	19.4
147.08046	11.2
147.11684	10.0
149.09615	9.6
155.08549	7.8
157.10107	18.2
159.08054	7.3
159.11691	10.1
161.09549	3.4
163.11197	11.6
165.12721	3.3
169.10056	5.2
171.08076	2.8
171.11731	4.1
173.09706	5.1
173.13145	4.4
175.11179	10.8
177.12697	4.0
181.12242	7.0
183.11627	5.9
185.13266	6.8
187.11118	5.8
189.11232	7.1
193.09720	3.1
193.12212	24.3
203.14215	8.2
205.12245	3.4
213.12720	4.0
215.14378	3.7
225.12868	3.1
227.12720	3.8
249.14859	6.4
257.15469	3.6
261.14813	2.8
327.23230	3.9
329.21146	14.3
337.21597	6.9
347.22189	5.5
352.23624	2.7
355.22672	18.8
367.15613	4.2
373.23703	13.2
385.23557	3.1
403.24799	12.7
429.26331	18.3
447.27414	100.0
448.27866	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	447.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.4
54.11303	1.2
55.01879	7.3
55.05265	2.1
55.05507	30.9
57.03432	11.7
57.07047	2.2
61.02906	5.1
65.03928	3.6
67.05500	60.0
68.05836	1.7
69.03425	6.2
69.07066	15.9
70.02403	1.1
71.01340	3.1
71.04978	6.1
71.05338	2.2
71.05627	1.4
73.02911	2.6
79.05486	60.3
81.03413	66.0
81.07052	43.0
83.04976	12.2
83.08614	21.0
85.02902	7.5
85.06510	3.3
91.03932	3.5
91.05473	51.3
92.05799	1.5
93.07035	52.1
95.04964	45.7
95.08597	19.0
97.02856	4.5
97.06525	9.3
97.10165	17.0
99.04469	1.9
103.05457	2.3
105.07022	30.5
107.04951	15.8
107.08585	30.3
109.06490	10.7
109.10146	11.4
111.04408	2.9
111.08066	6.6
115.05441	2.8
117.07017	15.2
119.04968	2.3
119.08576	24.5
121.06498	15.2
121.10116	13.2
123.04388	1.6
123.08054	6.4
123.11675	2.5
125.09647	9.2
127.03870	2.3
128.06190	3.1
129.07001	18.4
131.04898	4.5
131.08559	21.7
133.06485	10.5
133.10115	13.2
135.04442	1.6
135.08035	5.7
135.11678	31.9
137.05896	1.6
137.09627	2.3
141.06975	6.9
142.07774	3.6
143.08588	8.5
145.06474	15.7
145.10106	16.1
147.08035	9.2
147.11697	8.8
149.09619	7.3
151.07539	1.7
151.11136	1.4
153.06923	1.6
153.12778	1.7
155.08519	5.4
157.06522	2.4
157.10132	12.1
159.08061	6.1
159.11668	7.0
161.09578	3.3
161.13254	1.7
163.11162	11.6
165.12730	1.7
167.08484	2.7
169.10139	6.2
171.08052	2.4
171.11681	4.7
173.09608	2.9
173.13258	2.8
175.11130	8.5
175.14861	2.0
177.12830	2.0
179.08734	1.4
181.10065	2.5
181.12231	4.6
183.08011	1.9
183.11676	4.7
185.09557	2.6
185.11874	1.4
185.13187	8.3
187.11192	5.0
189.09355	1.4
189.11201	7.2
189.12694	2.0
193.12212	28.5
195.11681	2.7
199.11198	3.7
199.13115	1.7
203.10764	2.4
203.14325	8.3
205.12218	3.8
209.13118	1.4
211.11357	2.6
211.13280	5.7
213.12749	2.5
215.14369	1.6
219.13730	3.5
223.13304	1.9
225.12860	3.0
227.12808	3.8
229.15982	1.3
231.13791	3.7
245.15540	1.4
249.14883	4.2
257.15454	2.4
259.17029	1.6
261.14844	2.8
267.15848	2.3
309.22150	2.3
327.23077	3.5
329.21121	7.1
337.21548	10.1
347.22284	1.5
355.22610	25.4
373.23709	9.4
393.24457	1.8
403.24792	7.5
411.25000	2.3
429.26224	20.4
447.27380	100.0
448.27457	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	447.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.8
55.05507	37.2
57.03431	36.1
57.07066	9.9
60.54361	2.3
64.33498	2.4
67.05496	50.7
67.78620	2.8
69.07060	36.6
69.52347	23.8
71.08621	6.9
71.27081	2.6
75.92655	2.7
79.05484	34.2
81.07051	57.3
83.08617	23.4
91.05483	14.0
93.07032	39.6
95.04955	4.2
95.08604	39.7
97.06519	3.6
97.10178	13.4
98.21559	4.8
98.98461	41.9
105.07041	13.9
107.08577	24.0
109.10133	23.5
113.00008	100.0
117.06985	4.4
119.08587	8.1
121.10123	14.1
123.11701	9.7
130.32672	2.6
131.08546	10.1
133.10132	5.8
135.11685	13.1
136.99983	44.9
137.13263	4.2
145.10121	6.7
147.11681	8.3
147.89085	2.3
149.13225	8.7
155.01030	37.7
159.11589	5.5
161.13261	4.1
163.14806	5.1
166.93474	2.4
169.02585	17.3
173.13272	5.4
175.14865	3.3
187.03687	11.9
193.02594	7.2
211.03552	5.6
237.22179	7.0
243.14644	2.9
243.21045	8.4
261.22144	21.1
311.25763	36.9
317.24689	8.3
335.25784	87.4
336.26047	3.4
417.65475	2.9
447.24985	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	447.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
55.01858	8.6
55.05508	37.6
56.96554	9.7
57.03440	16.0
57.07067	3.6
61.02914	7.7
62.00897	3.2
67.05167	4.6
67.05502	72.2
69.03418	7.6
69.07065	22.6
69.94872	11.6
69.95280	6.7
79.05487	72.0
79.05946	4.0
81.03409	57.7
81.07049	62.4
83.04964	8.8
83.08609	22.6
85.02892	6.7
90.70700	3.3
91.05468	53.7
93.07040	53.0
95.04958	38.1
95.08601	48.9
97.02872	4.5
97.06531	9.1
97.10159	15.6
98.21399	4.9
99.08106	3.3
103.05466	3.0
105.07022	38.6
107.04967	13.3
107.08596	44.6
109.06523	6.8
109.10156	13.8
111.08083	6.4
112.99993	32.9
115.60750	3.1
117.06978	18.7
119.04953	5.6
119.08578	26.6
121.06499	14.0
121.10112	16.3
123.08094	5.9
125.09636	10.4
128.06184	4.7
129.06979	17.5
131.04932	3.9
131.08536	17.5
132.92918	2.9
133.06468	6.8
133.10139	20.3
135.08067	5.2
135.11653	27.2
136.06209	15.0
137.05894	3.5
137.48097	3.1
141.07007	6.5
143.08540	14.6
145.06482	14.3
145.10136	16.7
147.06952	3.7
147.08081	11.2
147.11649	9.8
147.36064	3.4
149.02328	5.8
149.09608	10.7
149.13220	3.9
155.08490	6.7
157.10143	13.2
159.08092	6.2
159.11664	9.6
159.46942	3.1
161.09639	5.5
161.13264	5.5
163.11194	13.5
165.12788	3.4
169.02643	14.0
169.10132	6.0
171.11688	3.3
173.13193	4.4
175.11195	6.6
181.10204	3.9
183.11754	6.1
185.13278	9.0
187.03654	3.2
187.11151	5.6
187.14719	3.6
189.11214	8.5
193.12241	23.5
195.11613	3.5
197.13432	3.7
199.11079	3.7
203.14317	7.9
243.21091	7.8
255.08961	4.0
261.22150	11.1
267.09171	4.2
273.10229	3.4
324.33289	3.7
327.23331	4.2
329.21344	5.6
331.15930	6.4
335.25793	41.5
337.21527	12.3
340.39929	3.6
349.16852	12.0
355.22638	28.0
367.17868	9.7
373.23724	10.4
387.12329	4.0
403.24792	8.7
429.26550	22.2
429.31970	4.0
447.13580	3.2
447.27377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05506	12.0
56.05031	9.7
56.96563	1.9
57.03431	1.4
57.05819	1.3
58.06604	4.4
60.04516	3.5
61.02895	0.7
62.76974	0.7
67.05500	1.5
69.03422	2.4
69.07066	2.1
70.02946	1.1
70.06203	0.8
70.06586	16.7
71.04987	1.2
71.06926	1.1
71.24892	1.8
72.08150	100.0
73.02915	2.1
73.08488	1.0
74.06075	50.0
79.05499	0.9
81.03405	1.3
81.07061	1.1
82.06580	1.4
83.04986	1.1
84.04507	11.4
84.08140	9.7
85.02901	5.1
86.06074	0.8
86.09701	44.6
87.05574	2.0
87.10031	1.0
88.03989	4.7
91.05427	1.4
95.04996	1.6
95.06100	0.8
96.04494	0.9
96.06584	0.8
96.08110	0.9
97.02898	2.8
97.06499	1.0
98.02414	0.9
98.09670	1.2
98.97581	2.1
99.04437	0.8
100.06969	0.7
100.07634	2.1
101.07146	1.8
102.05524	3.6
107.04913	1.0
107.08627	0.8
110.06039	1.8
110.07170	3.4
111.05595	1.0
112.11282	1.3
112.13682	0.8
114.09148	1.2
115.03958	0.9
115.08637	0.7
116.07099	2.0
116.98598	1.3
119.04958	0.9
119.08633	0.8
120.08110	2.9
121.02936	1.6
121.33316	0.7
123.08072	1.1
124.07594	1.6
124.11282	1.1
126.05489	6.5
126.12740	1.1
127.03919	2.6
127.05004	1.3
127.08671	1.2
129.06636	2.1
129.10211	4.9
130.05023	2.0
130.06573	1.2
132.08078	1.0
132.10194	10.7
133.04958	1.1
134.99664	1.0
136.07570	1.7
137.06018	0.9
138.05495	1.1
141.06564	0.9
141.10275	1.3
141.13864	3.0
142.08720	1.2
143.11771	1.3
144.06570	12.0
145.02789	0.9
145.04979	1.2
145.10149	1.0
146.05962	0.8
147.04404	2.6
148.06044	2.8
149.02357	1.5
155.08221	0.9
157.07611	1.1
158.06105	1.2
158.11784	1.0
159.07753	0.9
159.11246	6.4
161.01163	0.9
161.09402	0.7
162.07649	1.2
162.10286	0.9
163.03712	0.9
165.09091	1.2
169.09721	9.2
169.13332	3.2
171.07703	2.5
172.09734	0.8
173.12903	3.3
177.00665	1.1
177.05533	1.3
181.06042	1.1
187.10771	14.2
187.14438	5.5
188.07085	1.7
189.08679	6.6
197.12778	4.0
199.07213	1.1
201.12328	4.8
203.10280	1.0
213.12381	3.3
215.10303	20.0
215.13852	21.1
216.14203	0.8
217.08208	8.4
219.01834	1.1
219.13379	1.0
229.11871	1.9
232.78445	0.7
233.11397	1.5
233.14949	35.5
234.15283	0.9
237.02731	0.9
241.38165	0.7
243.13396	5.4
247.13025	2.6
259.11859	1.1
261.14435	5.7
270.14328	0.9
284.16129	3.1
298.13956	2.5
300.19318	1.3
316.14990	10.2
330.16583	14.5
348.17679	2.3
362.02515	0.9
383.22983	2.6
387.03955	1.1
411.22540	2.5
429.17767	1.4
429.23456	8.3
447.13043	1.4
447.18280	14.4
448.19315	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	447.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.9
55.01861	9.8
55.05502	16.2
57.03436	30.6
61.02924	64.0
65.03959	3.1
67.05505	37.5
69.03425	47.4
69.07060	8.4
69.29784	28.7
70.06593	15.2
71.01355	4.9
71.04984	10.1
72.08149	8.6
73.02917	29.5
76.16776	2.7
78.03450	4.4
79.05488	39.8
81.03414	100.0
81.07054	39.4
83.04974	27.1
83.08617	23.9
84.08154	13.5
85.02902	84.8
85.06554	4.0
86.09718	14.3
87.04474	4.2
91.03953	29.3
91.05469	53.9
93.07035	29.3
95.04958	28.8
95.08603	14.0
97.02888	55.0
97.06523	6.1
97.10143	2.9
99.04453	14.8
101.02374	12.7
101.80406	2.4
103.03922	5.2
104.80773	2.4
105.07024	34.0
106.02918	26.1
107.04929	16.0
107.08578	11.5
109.02848	14.9
109.06512	6.4
109.10165	4.7
111.04431	10.4
111.08059	14.6
115.03916	4.3
117.06994	4.9
119.04934	6.4
119.08556	21.8
120.05261	4.5
120.08091	12.1
121.06493	31.0
121.10151	12.4
122.06853	4.6
123.08098	5.1
123.11717	3.1
124.03954	51.9
127.03903	30.9
129.05481	7.5
129.06996	14.8
129.10211	6.1
130.07671	2.5
131.08569	15.1
133.10130	24.1
136.07549	6.2
137.05952	6.3
142.07742	5.5
145.04962	6.9
145.10106	4.9
147.04404	29.8
147.11690	22.6
148.04744	16.5
149.02345	3.5
149.09666	7.4
157.10133	25.9
163.03909	10.8
163.11127	6.6
165.12762	3.9
171.06665	3.2
175.11139	31.5
180.10248	8.0
183.06523	4.0
184.89116	2.6
193.12241	88.2
197.11615	3.2
201.07608	4.5
211.13289	85.9
212.13353	2.7
227.12828	3.5
250.07140	5.3
267.15958	16.4
268.08160	35.4
284.12918	7.2
285.13263	15.8
285.16983	64.8
299.14200	3.5
313.16364	4.7
315.04977	7.5
324.53287	3.2
341.06601	3.3
359.28491	2.6
369.05994	6.6
429.21011	5.0
430.11249	6.2
447.08820	6.7
447.16956	12.4
447.22519	7.9
451.71103	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	447.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29810	0.9
55.01857	1.1
55.05504	11.7
56.05028	9.6
56.96559	2.2
57.05817	1.7
57.07072	0.9
58.06592	4.5
60.04515	7.1
65.17590	0.8
67.05507	1.3
69.03436	2.1
69.07061	1.1
70.02937	2.3
70.06586	25.1
70.32249	3.6
71.24948	0.8
72.08150	100.0
73.08470	0.9
73.27175	0.8
74.06076	42.1
75.04473	0.9
81.03422	1.8
82.06583	2.1
83.06096	1.7
84.04500	14.1
84.08142	11.2
85.02904	4.1
86.06061	1.9
86.09700	77.1
87.05585	5.8
87.10060	1.1
88.03974	4.6
91.05846	1.8
95.04963	2.4
96.08146	1.5
97.02886	2.1
97.06510	0.9
98.06033	1.6
98.09673	1.8
98.97611	1.1
100.07603	1.3
101.07143	2.8
102.05530	6.5
107.08585	1.2
109.06521	1.1
110.06015	1.3
110.07140	4.8
111.04414	1.1
112.03986	1.0
112.08681	1.0
112.11251	1.5
113.07119	0.8
114.09164	3.3
115.95050	0.8
116.03478	1.1
116.07048	2.3
116.98593	0.9
117.03432	0.8
120.08101	3.5
124.07601	2.0
126.05502	5.0
127.03931	1.3
127.08665	3.1
129.06580	2.1
129.10245	5.5
129.11105	0.9
130.04973	4.6
130.06557	2.1
130.08630	1.1
132.10190	9.8
136.03958	0.9
136.07564	2.5
138.05502	1.4
139.05089	0.9
141.10289	1.1
141.13861	2.5
142.08626	1.9
143.11765	2.4
144.06552	8.6
145.02829	1.5
147.04399	3.0
148.06062	7.6
153.06647	1.2
154.04994	1.3
157.07663	1.0
158.06007	1.5
158.11781	2.0
159.09198	1.9
159.11273	20.1
159.41428	0.9
161.01172	2.0
169.09732	8.8
169.13367	2.5
171.07590	3.0
173.12836	7.1
175.08630	1.3
177.00789	1.0
177.05457	2.8
177.10170	0.9
185.16592	1.5
187.10767	22.4
187.14319	5.9
188.07104	0.9
189.08687	6.1
197.12910	4.7
199.07153	2.1
201.12320	8.1
213.12344	5.0
215.10312	17.4
215.13824	18.6
217.08179	8.1
219.01846	0.9
219.13449	1.5
219.51134	0.9
227.03375	1.3
229.11844	2.3
233.11362	1.5
233.14940	36.2
235.11905	1.1
243.13251	5.6
247.12903	5.3
255.17084	1.8
259.11938	1.4
261.14459	20.7
284.16022	2.8
285.11966	1.8
287.04251	2.0
298.13974	4.5
300.19162	3.8
312.15567	1.0
316.15091	8.9
327.92429	0.9
330.16534	13.1
339.20343	1.1
348.17679	2.8
383.22952	2.6
411.22397	2.1
429.23419	8.2
443.08615	2.4
447.18137	7.4
447.23645	1.1
448.19156	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	446.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
53.25990	0.2
55.01871	0.4
55.05489	0.6
56.96567	0.3
57.03409	0.7
58.65491	0.3
61.02915	0.5
64.89146	0.3
65.03932	0.3
67.05489	0.5
68.58414	0.2
69.03423	2.0
70.06589	1.7
70.63205	0.4
70.63538	0.6
71.04980	0.4
72.08154	2.7
73.02914	0.4
73.08504	0.3
79.05480	0.8
81.03414	1.2
81.07029	0.8
84.04514	0.3
84.08129	1.0
85.02898	4.8
86.09708	2.9
87.05570	0.3
87.10007	0.3
90.39317	0.2
91.05467	8.8
92.05810	0.4
93.07040	5.5
95.04963	1.4
95.08609	0.3
97.02898	1.8
97.06539	0.4
99.04445	0.4
103.05470	3.3
105.07021	0.6
107.08588	0.6
109.02861	1.1
110.07125	0.4
119.04935	16.9
119.08627	0.4
120.05253	0.5
120.08089	0.4
121.02866	0.5
121.06496	31.3
122.06020	0.3
122.06847	0.5
123.08025	0.4
127.03918	2.2
129.10220	0.5
131.04955	0.3
131.08540	0.4
133.10135	0.4
135.07933	0.4
136.07553	0.8
137.05981	0.6
145.04976	0.6
147.04399	100.0
148.04738	2.0
150.05426	0.3
163.03908	1.6
164.07027	1.5
169.20583	0.2
177.05373	0.3
179.10674	0.3
179.24295	0.3
185.37405	0.3
189.05507	0.5
194.16331	0.2
197.11694	0.9
198.12041	0.7
220.61638	0.3
235.73894	0.3
254.08177	0.5
282.09512	0.7
284.12793	52.3
285.13168	2.1
311.11099	0.3
326.13538	0.3
327.04846	0.3
400.65387	0.3
405.05975	0.7
446.17877	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	446.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01865	4.1
55.05493	4.7
56.05026	3.8
56.96564	6.8
57.03429	4.9
61.02922	7.9
65.03914	2.3
65.86736	1.4
67.05498	8.3
69.03433	11.7
69.07077	2.0
69.31264	1.3
70.06578	18.2
70.93370	4.6
71.04988	3.5
72.08163	9.9
73.02922	5.0
74.06061	4.0
79.05476	8.2
81.03413	16.3
81.07048	8.4
82.07389	1.9
83.04974	7.0
83.08601	2.8
84.04494	6.5
84.08145	13.9
85.02894	22.8
86.06059	3.3
86.09690	19.4
87.00832	6.5
91.03952	5.5
91.05447	7.6
93.07038	5.1
95.04933	7.3
95.08606	5.6
97.02879	13.6
97.06533	3.4
98.97581	3.1
99.04445	5.2
101.06064	1.8
102.05479	1.5
102.63385	1.6
105.01882	4.4
105.07049	7.6
107.04964	2.3
107.08597	5.7
109.02845	7.4
109.06499	4.0
109.10167	3.8
110.07130	5.6
110.10484	2.3
111.04428	2.5
111.99302	1.7
116.10729	5.2
116.98630	3.3
117.07005	3.7
119.08591	5.6
120.08106	4.1
121.02859	3.9
121.06511	2.4
121.10166	3.0
122.06041	1.6
123.08018	2.0
124.07614	2.8
127.03912	11.3
129.07007	2.0
129.10207	4.1
129.80988	1.4
130.06494	2.0
131.00182	4.4
131.08598	1.7
133.02873	2.5
133.10135	3.9
134.99649	2.9
135.04414	1.6
135.08002	2.6
135.11656	1.9
136.07516	2.0
137.09618	6.1
141.10255	2.1
143.05431	6.8
145.04965	5.4
145.10133	5.8
146.06030	2.5
147.04401	2.7
147.11642	3.5
149.01225	8.6
149.02325	100.0
149.09641	2.2
150.02655	1.8
152.05983	3.4
152.07120	2.1
156.03540	3.1
157.10098	3.9
159.02876	2.2
159.09178	2.6
163.03896	72.6
163.11194	4.7
164.11525	1.9
165.09084	3.8
166.09512	2.5
167.02267	5.1
171.06718	6.2
173.13037	1.6
175.11203	3.2
180.07236	13.8
181.04942	36.1
181.08539	1.9
188.07018	2.7
190.05003	2.0
193.12166	7.3
197.12935	2.7
205.09709	2.7
211.13313	7.5
227.12805	2.1
228.13144	3.4
252.09344	60.5
252.59543	15.5
267.09039	4.6
285.10153	11.0
285.17038	4.4
292.19131	5.5
332.20718	2.5
446.14917	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	445.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.9
55.05518	7.7
57.03433	14.1
57.07076	1.7
60.62246	1.2
61.03348	1.1
61.23616	1.1
65.03957	2.1
67.05501	23.3
68.05844	1.3
69.03429	3.4
69.07064	7.6
69.86937	4.4
69.87343	2.5
71.04991	3.0
73.02917	1.5
79.05494	25.2
81.03417	5.4
81.07055	32.0
83.04973	1.5
83.08619	2.7
85.02893	1.6
85.06533	2.8
87.25024	1.0
91.05467	27.2
91.06006	1.8
93.07043	33.3
95.04958	3.5
95.08603	22.1
97.02905	2.8
97.06537	2.7
103.03937	2.4
105.07032	27.7
107.08591	20.4
109.06503	2.3
109.10121	8.2
113.00015	74.4
116.98630	1.5
117.06984	9.1
117.88246	1.2
119.08575	32.8
121.10150	16.4
123.08126	1.6
123.11731	2.4
125.11120	1.2
129.05495	5.0
129.07016	5.6
131.08578	16.5
133.10130	26.3
135.08047	1.8
135.11697	14.0
143.08553	6.8
145.10103	13.5
147.08012	1.4
147.11688	18.6
149.09621	1.7
149.13264	8.8
155.07065	2.6
155.08659	1.6
157.10159	6.7
159.11681	12.9
161.13255	23.0
163.14838	5.4
169.02611	5.4
171.11681	10.2
173.13251	10.8
175.14798	17.0
177.12744	1.8
185.13235	8.5
187.03677	12.6
187.14842	2.4
189.12718	1.7
189.16388	1.9
199.14876	5.0
213.16499	1.7
215.17926	6.6
217.19566	5.9
231.21059	5.4
241.19504	40.2
241.59799	1.1
243.21141	3.8
259.20560	35.2
275.19974	2.2
277.21591	2.6
283.15509	1.3
315.23251	4.2
333.24225	100.0
334.24518	2.5
444.01294	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	443.3151
Annotation	Paxisterol
Peak:m/z	Relative Intensity
51.83268	0.9
55.05500	4.5
57.03430	2.3
67.05495	13.7
69.07068	5.5
71.60660	1.7
73.02457	1.1
79.05479	6.8
81.03400	1.4
81.07052	17.2
83.08598	2.7
85.02937	1.2
91.05457	5.4
93.07034	8.3
94.90957	1.2
95.04994	1.7
95.08597	14.8
97.06532	1.6
98.15874	1.0
99.08076	21.2
105.07012	11.6
107.04932	1.9
107.08591	11.4
109.06514	2.5
109.10146	33.3
111.69292	1.1
117.07008	2.2
119.08570	11.8
121.06497	6.5
121.10131	7.3
123.08034	3.5
123.11657	2.1
125.09659	1.8
129.06984	1.8
131.08545	4.7
133.06488	2.4
133.10123	9.4
135.08041	3.9
135.11739	5.3
137.09593	6.5
142.07864	1.1
143.08551	2.5
145.10138	6.8
147.08063	2.7
147.11667	7.2
155.08577	1.3
155.10648	7.1
157.10094	3.8
159.11729	5.8
160.08821	2.7
161.09622	3.7
161.13284	3.0
163.11180	5.4
169.10094	1.5
171.11702	2.2
173.09639	4.3
173.13281	3.3
175.11163	37.4
175.14795	5.9
183.11578	2.4
185.13274	1.7
187.11209	1.7
189.12735	3.6
189.16434	2.8
193.12265	2.1
197.13300	1.6
199.14865	1.4
201.12714	1.2
209.13200	1.4
211.14969	1.2
215.14336	2.4
229.15927	1.4
239.18007	1.6
251.18028	2.0
253.19562	2.3
269.18900	6.2
271.20438	5.3
296.50894	1.2
297.22168	1.4
351.26782	1.6
379.29932	3.8
407.29349	5.6
425.30457	39.1
426.30978	1.2
443.31592	100.0
444.31995	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	445.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.2
55.01868	6.3
55.05505	14.7
56.96550	4.6
57.03431	21.9
61.02913	9.8
67.05492	37.9
68.03555	2.8
69.03415	16.7
69.07050	13.0
69.58054	7.5
69.58479	12.0
71.04993	7.5
73.02892	4.3
79.05486	34.0
81.03416	22.1
81.07048	42.7
83.04960	7.0
83.08601	12.9
85.02897	11.6
85.06512	5.9
87.97433	2.5
91.03955	4.8
91.05452	39.6
91.05904	2.8
93.07030	39.9
95.04956	6.9
95.08605	23.0
97.02904	17.6
97.06504	6.5
97.10157	5.4
98.52409	2.4
98.97563	2.8
99.04445	4.5
105.07018	36.6
107.04954	7.2
107.08579	29.4
109.02877	8.4
109.06504	3.2
109.10121	15.9
111.04426	3.9
111.08079	4.6
113.00006	70.1
117.07008	11.7
119.08561	34.1
121.10133	20.3
123.08102	3.6
123.11693	4.4
125.09610	5.3
127.03920	8.0
129.05469	4.3
129.07005	7.6
131.08533	21.3
133.10127	32.3
135.07994	4.1
135.11665	18.7
143.08546	5.8
145.10112	16.7
147.11667	22.7
149.09648	3.1
149.13283	8.1
153.12762	4.3
155.07103	2.8
157.10110	6.3
159.11642	13.0
161.09750	3.1
161.13206	22.8
163.11148	9.3
163.14796	5.3
169.02675	5.0
171.11671	15.4
173.04459	4.4
173.13258	10.3
175.14772	16.6
185.13269	8.4
187.03676	11.0
187.14763	3.0
189.12698	3.7
191.10573	3.0
193.12157	4.6
199.14796	6.9
209.11688	8.5
215.18088	7.8
217.19452	6.2
227.12761	9.1
231.21048	6.2
241.19487	43.3
245.82649	2.9
259.20551	33.5
267.09067	5.1
283.06345	4.2
285.10095	7.2
315.23016	3.3
333.24200	100.0
334.24698	3.6
344.03909	3.2
353.20959	3.8
445.20477	7.3
445.25708	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	443.3153
Annotation	Paxisterol
Peak:m/z	Relative Intensity
52.73417	1.2
53.03950	1.3
55.05510	7.4
57.03427	3.2
65.03922	2.2
67.05502	31.8
69.06751	1.1
69.07073	8.0
69.46332	10.0
71.04983	2.6
79.05481	12.3
80.75858	1.2
81.03422	2.2
81.07052	38.5
83.04995	2.5
83.08614	4.3
85.06559	2.7
91.05467	10.5
93.07030	16.5
95.04967	6.9
95.08605	36.7
97.10175	2.9
99.08087	38.2
101.06010	2.8
105.07025	17.5
107.04985	4.6
107.08593	24.7
109.06520	5.4
109.10151	57.0
111.08080	3.5
117.07037	5.4
119.08569	21.0
119.09334	1.9
121.06494	7.0
121.10141	10.2
123.08109	2.9
123.11723	2.4
125.94712	1.5
129.07011	4.4
131.08546	11.3
133.06502	1.8
133.10132	19.0
135.08031	2.3
135.11687	11.0
137.09593	11.9
139.11148	2.0
142.07764	2.4
143.08591	5.9
145.10101	11.8
147.08008	1.8
147.11662	14.4
149.09621	1.9
149.13312	3.0
151.11185	1.7
155.08588	3.6
155.10657	14.3
157.10127	15.2
159.08157	1.9
159.11720	8.9
161.09641	3.9
161.13235	6.4
163.11197	5.0
163.14839	1.7
165.09167	1.5
168.09486	1.2
169.10081	1.8
171.11745	4.5
173.09674	4.2
173.13258	10.0
175.11192	22.6
175.14784	15.9
175.16005	1.2
177.12788	3.5
181.10233	1.4
183.11772	3.7
185.13307	4.6
187.11258	3.4
187.14821	3.0
189.12805	2.8
189.16389	2.8
193.12349	1.9
195.11699	2.2
197.13293	2.2
199.14827	1.9
201.12833	2.1
201.16447	1.8
203.14366	2.3
209.13362	1.8
211.14958	2.5
213.12823	1.3
213.16492	2.3
225.16393	1.7
229.16032	1.5
231.17557	1.4
241.15932	1.6
243.17673	1.5
249.18593	2.0
251.17998	2.8
253.19437	6.1
255.17513	1.3
269.19031	6.9
271.20474	6.6
286.19406	1.8
295.21103	1.4
351.26770	2.9
379.30118	3.3
397.31485	2.5
407.29343	9.1
425.30484	100.0
426.31107	1.8
443.31741	57.8
444.31848	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	443.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75680	0.4
53.79767	0.3
55.05506	1.0
55.39614	0.3
56.05026	0.5
56.96556	0.5
60.04522	0.7
60.05650	6.6
60.34839	0.3
67.05508	0.4
69.03426	0.9
69.06712	0.7
69.07063	9.4
69.78626	2.6
70.06589	25.1
71.04997	0.9
71.06888	0.4
72.04517	0.5
72.08149	6.3
72.81644	0.4
73.08494	0.5
79.05487	0.8
81.03409	1.1
81.07033	0.7
83.04973	0.6
84.04487	0.9
84.08149	2.5
85.02911	1.6
86.06068	0.4
86.09699	100.0
87.10040	1.3
91.05488	1.2
93.07054	1.1
95.08573	0.7
97.02893	0.9
97.06497	0.4
98.20724	0.5
99.04505	0.4
105.07023	0.8
106.54895	0.4
107.08614	0.5
109.02860	0.8
109.06506	0.4
109.10152	0.5
110.07170	0.9
111.04459	0.4
112.08727	3.6
113.07148	1.0
114.10275	0.7
115.08652	3.2
116.07088	9.2
119.08549	0.6
120.08124	1.0
121.10191	0.6
123.08057	2.2
127.03938	0.5
128.10709	14.3
129.10197	2.0
130.09761	2.9
133.06413	0.4
133.09831	0.7
134.99628	0.4
135.07967	0.5
136.07591	0.9
146.20139	0.4
146.97409	0.4
147.04422	0.5
149.09540	0.4
152.83936	0.4
155.08081	0.6
156.10193	0.7
156.11310	8.4
157.10896	0.7
158.06277	0.5
158.09238	5.5
161.05994	0.6
163.11092	0.5
165.09013	0.4
166.08549	0.3
169.09904	0.3
175.11903	17.1
193.08566	0.4
196.10262	0.4
203.13943	0.5
212.98399	0.7
215.10353	0.4
226.15431	0.7
228.97906	0.5
229.15714	0.5
264.15930	0.5
269.18674	1.1
271.17630	8.8
288.20416	0.9
399.16196	0.6
425.28610	0.8
443.19128	3.2
443.29736	84.6
444.18259	0.8
444.30029	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	443.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
53.11609	1.9
55.01861	6.0
55.05500	19.7
56.05018	5.2
56.96552	4.1
57.03418	10.3
57.07071	3.0
58.06612	2.5
59.04993	3.5
60.04515	4.3
61.02922	13.9
65.03902	2.2
67.05499	17.1
69.03429	43.3
69.07053	3.8
70.06588	75.6
71.04972	6.9
71.12462	5.0
71.12797	3.1
72.08153	38.5
73.02902	8.7
73.06547	4.2
74.06074	3.8
79.05471	16.4
81.03403	20.4
81.07059	29.0
82.06564	3.4
82.86548	2.5
83.04982	17.5
83.06101	5.3
84.04491	13.9
84.07682	3.9
84.08140	51.3
85.02896	85.3
85.06523	6.1
85.08501	3.2
86.09704	57.2
87.04446	8.6
87.10049	2.2
88.03965	3.5
89.10774	10.0
91.03931	6.6
91.05482	33.9
93.07041	23.0
94.06573	2.9
95.04973	30.5
95.06073	2.6
95.08603	35.1
97.02879	31.9
97.06542	6.1
99.04436	8.1
99.08095	2.4
101.05990	5.3
102.05543	3.6
105.04314	2.0
105.07032	15.0
107.04942	8.0
107.08597	23.8
109.02854	9.9
109.06494	15.5
109.10144	40.2
110.07163	52.7
111.04465	4.1
111.09091	2.4
115.08616	2.3
116.07081	5.2
116.98645	3.6
117.07001	4.8
119.04926	18.0
119.08574	18.1
120.08114	3.9
121.02853	3.8
121.06454	8.6
121.10140	11.8
122.05928	2.8
123.08041	5.2
125.05946	4.6
125.09668	3.2
127.03936	18.5
127.07601	3.0
127.08591	2.8
129.06958	3.8
129.10237	29.0
130.07770	2.8
130.10590	2.9
131.08562	6.6
132.10167	3.1
133.06503	3.6
133.10112	12.0
135.08009	9.9
135.11676	3.9
136.07559	49.1
137.05974	32.2
137.07965	4.3
137.09604	91.8
141.06879	3.4
141.10231	4.0
142.07741	2.5
143.08546	8.9
145.04968	12.7
145.10136	11.0
147.04393	9.7
147.07994	8.3
147.11720	3.2
149.09602	4.7
151.07520	2.6
151.11206	12.5
154.97849	9.4
155.08459	2.5
157.10101	6.6
159.08009	10.1
159.11632	5.4
161.09627	6.2
162.05498	11.8
163.11140	16.3
165.09050	3.9
169.09943	2.7
171.11584	4.6
172.98993	13.7
173.13237	4.5
174.55840	2.3
175.11226	6.0
177.09085	5.8
177.12680	2.2
179.10623	4.4
181.12196	10.9
185.09552	3.4
185.13190	7.7
187.11125	12.3
189.08966	2.7
193.04845	2.8
195.10141	3.5
198.23401	2.4
199.00285	2.7
199.14635	3.8
203.14374	10.7
205.12239	35.6
207.10049	3.1
214.99924	4.1
215.14168	4.1
217.11835	5.5
221.15320	6.4
223.15529	4.2
226.11949	3.6
227.14232	6.1
233.01106	3.1
233.09174	2.6
233.15335	9.8
242.09860	3.1
245.15395	21.1
250.57277	2.2
254.10858	2.4
261.68976	2.5
263.16415	100.0
269.16055	9.2
281.04700	5.1
281.14597	4.5
281.17474	49.3
289.05258	3.4
299.05756	7.8
300.05878	2.7
302.12195	4.2
306.13263	5.6
323.05627	7.0
348.20502	2.8
355.11697	7.4
355.18600	2.5
399.15991	4.8
425.13818	13.3
426.12228	5.0
443.09955	3.4
443.18768	16.1
443.23511	7.0
464.65057	2.4
469.28360	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	443.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45012	2.0
51.02372	3.1
53.03925	9.2
55.01857	10.2
55.05511	21.5
57.03431	18.3
61.02918	55.7
65.03950	3.1
67.05496	61.4
69.03420	32.9
69.07055	22.4
69.47466	8.4
69.47891	12.0
70.06580	4.2
71.01306	4.8
71.04980	6.3
72.08146	3.5
73.02913	22.8
77.03920	2.7
79.05483	100.0
81.03405	35.7
81.07042	57.6
83.04974	22.7
83.08613	11.6
84.08122	4.2
85.02422	3.3
85.02897	50.3
85.06528	4.9
86.09693	10.5
87.04450	2.6
91.03941	24.2
91.05470	69.3
93.07030	86.8
95.04961	29.7
95.08594	37.9
97.02874	44.6
97.06510	8.5
97.10139	3.8
99.04434	9.5
101.02360	8.8
103.03930	6.1
103.05428	3.1
105.07015	55.9
107.04934	16.1
107.08587	29.4
109.02847	14.0
109.06494	15.7
109.10125	10.1
111.04398	4.4
111.08075	2.7
113.52540	2.4
115.03915	4.1
115.05453	3.6
117.06993	13.8
119.08566	33.9
121.06471	6.5
121.10141	15.5
123.08063	9.8
123.11665	5.1
125.05972	4.4
125.09592	3.0
127.03901	24.5
128.06168	5.0
129.05464	2.9
129.06987	24.0
131.08514	13.8
133.06496	3.6
133.10150	20.1
135.08032	6.4
135.11635	5.9
137.05991	4.8
137.09578	6.2
141.06934	5.1
143.07028	2.7
143.08531	14.4
145.04947	6.4
145.06461	3.6
145.10118	17.6
147.08011	5.3
147.11667	55.6
149.09583	5.4
151.07527	10.2
155.08549	3.8
157.10088	4.6
159.07971	3.0
159.11664	6.3
159.75238	2.5
161.05881	2.7
161.09575	9.0
161.13226	21.2
163.11143	3.6
165.09119	23.0
171.08076	4.0
171.11682	48.8
172.03870	3.2
173.13268	2.6
175.11118	3.4
175.14799	2.7
177.08968	3.0
179.14326	3.2
183.06491	3.2
185.12848	2.8
189.12717	18.9
191.10637	4.0
197.13097	3.7
199.14766	2.8
203.14336	2.3
204.06577	2.4
205.12262	2.5
207.13774	54.4
213.12703	2.9
225.14801	2.7
281.17426	75.5
287.16290	6.5
309.16888	5.8
425.21631	3.3
443.22830	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	4.2
55.04243	3.0
57.03431	0.7
62.48956	0.6
69.03411	1.3
69.89748	1.7
69.90156	2.4
70.02966	0.8
70.06582	3.9
80.05005	0.7
81.03422	1.2
81.04533	22.6
82.05318	9.3
84.04500	1.4
84.08144	1.6
85.02902	3.7
97.02892	1.4
108.05566	0.9
108.95792	0.8
110.07155	1.6
110.30240	0.6
116.98608	0.8
122.07143	100.0
123.07927	95.3
127.03902	2.2
144.04816	1.2
147.04390	1.8
154.19675	0.7
160.04314	2.3
165.07634	3.3
166.73090	0.7
172.04269	2.2
188.13963	0.7
229.13977	0.7
281.10657	64.1
282.10837	0.8
323.11676	1.2
443.15936	81.9
444.16187	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	443.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.4
67.05482	0.6
69.03411	0.4
69.07045	0.5
70.06584	0.3
70.15642	0.7
70.16048	0.4
71.08614	0.3
79.05492	0.4
81.07036	0.9
83.08578	0.3
84.15482	0.2
85.02879	0.4
85.06580	0.2
86.09690	0.5
91.05479	0.5
93.07027	0.8
95.04974	0.3
95.08584	0.8
97.02905	0.5
97.06538	0.3
99.08087	0.3
105.07007	0.7
107.04933	0.2
107.08565	0.6
109.02858	0.4
109.06533	0.2
109.10136	0.4
119.08530	0.5
121.06465	0.2
121.10124	0.4
123.08105	0.2
125.09653	0.2
127.03890	0.2
129.07008	0.3
131.08566	0.4
133.10101	0.4
135.08063	0.3
137.09610	0.3
139.11154	0.2
145.03423	0.2
145.10143	0.3
151.07541	0.9
157.10152	0.3
159.52347	0.2
161.09686	0.3
165.09091	0.9
171.11649	0.2
173.03062	0.2
177.12631	0.3
185.02776	0.3
185.04243	0.6
191.10622	0.3
195.13553	2.7
223.13023	0.8
227.05263	0.8
237.14642	0.5
241.12903	0.4
255.14421	0.3
271.04199	0.5
331.15973	0.2
339.17590	0.6
357.18793	10.7
369.23828	0.2
375.18726	0.8
381.18808	0.7
399.19867	39.4
400.19986	1.0
443.18842	100.0
444.19147	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	443.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95028	0.7
53.03930	1.5
55.01869	0.8
55.05497	1.8
55.93516	1.0
56.05024	1.9
56.94294	1.0
56.96553	1.2
57.03422	1.4
57.07064	0.7
60.04522	1.5
61.02905	0.9
67.05492	1.0
68.05030	0.9
69.03410	2.0
69.07055	2.3
69.74355	3.7
70.06588	38.4
70.95861	1.7
71.06920	1.0
72.08150	13.0
72.93770	6.9
73.02914	1.0
73.08455	0.7
74.06080	1.0
79.05472	1.9
80.05025	0.6
81.03408	3.8
81.07022	1.5
83.04978	0.8
83.06104	0.8
84.04505	3.7
84.08133	14.4
85.02913	3.9
86.09704	22.9
87.00839	1.0
88.03974	1.2
88.96905	0.8
90.94816	5.9
91.05477	4.5
93.07028	1.5
95.04952	2.2
95.06055	0.7
95.08658	0.6
97.02878	2.2
98.06078	1.2
98.20694	0.7
98.97566	1.1
99.04450	0.8
102.05548	2.0
103.05448	1.5
105.01842	0.8
105.07030	1.7
107.04958	1.0
107.08592	1.4
108.95846	2.6
109.02864	1.6
109.06487	1.1
109.10204	0.9
110.07169	3.6
112.08688	0.8
113.93047	0.7
115.05461	1.1
115.08694	1.7
116.07072	3.7
116.98588	1.1
117.06968	1.4
119.04947	0.7
119.08575	1.7
120.08098	5.8
121.06521	1.5
121.39238	0.8
121.93668	0.7
124.12849	0.6
127.03849	1.8
128.96327	0.9
129.10231	7.5
130.05002	1.1
130.06482	1.4
130.08635	0.7
131.04893	1.3
131.08553	1.0
132.95863	1.0
133.10098	0.9
136.07605	3.8
137.05966	13.0
138.98416	1.2
142.97908	1.7
143.11852	0.7
144.95789	0.9
145.10028	1.0
146.97418	1.3
147.04449	0.9
149.09657	1.5
152.96344	0.7
152.99973	0.8
154.97888	65.7
155.11732	0.7
158.97359	1.1
161.05971	1.1
162.96834	1.0
163.11188	1.0
164.99933	1.5
166.97884	2.9
168.99483	1.7
170.97301	0.9
171.00963	0.9
172.98964	100.0
173.09222	1.5
173.99207	1.4
174.96742	0.8
175.07509	1.7
175.08801	0.9
177.05482	1.2
178.98042	1.0
180.99425	3.2
182.97401	2.5
183.01036	0.7
183.14854	2.0
184.98970	6.2
185.12805	1.1
187.00511	2.6
187.07481	1.1
190.99973	1.1
192.99417	1.3
194.97319	0.9
195.00967	1.5
196.00528	3.7
196.98987	10.0
199.00507	1.3
200.98418	1.6
201.00075	0.9
201.01979	0.7
201.08890	0.8
201.12256	0.9
202.99939	1.3
203.01610	1.1
204.99533	0.9
208.99019	0.8
209.02603	7.7
210.97246	0.8
211.00523	9.0
211.14539	1.2
212.98366	0.8
213.02036	2.0
213.12383	1.3
215.00003	17.0
215.13794	1.2
217.11842	1.6
219.01006	8.0
221.02605	10.3
223.00490	2.0
223.04181	1.0
225.02045	0.9
226.99960	1.9
227.03653	2.4
229.01428	0.9
229.15294	3.1
230.99527	1.8
231.13356	5.4
233.01044	19.9
233.03282	1.2
234.12398	2.0
237.02437	0.9
238.01596	0.8
239.03648	14.6
241.01584	2.1
241.07596	1.0
245.01044	1.5
251.03714	4.2
253.01552	2.1
263.03650	3.0
269.04785	5.2
271.02658	1.8
274.14325	1.7
281.04675	30.5
281.17291	0.7
283.02597	1.4
287.05707	2.0
297.04028	0.7
299.05753	95.1
300.05920	1.4
319.91113	0.7
322.07294	8.2
323.05713	5.2
323.09097	1.3
341.06680	2.7
353.06631	1.3
365.06512	0.8
377.06900	1.2
383.07730	0.7
399.16385	2.3
413.09006	1.0
426.19147	5.3
443.09882	20.7
443.15402	3.1
443.21750	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	442.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05495	1.4
56.05019	0.5
56.96568	0.6
57.07061	0.7
61.84322	0.4
62.06083	0.7
64.00431	0.3
67.05499	2.0
69.07047	1.6
69.33494	2.1
69.33914	1.9
70.06579	1.0
71.08637	5.2
72.08141	1.3
79.05484	1.7
81.03413	0.6
81.07049	3.3
83.08601	0.9
84.04487	0.5
84.08126	1.5
86.06066	2.9
86.09722	0.3
91.05461	1.7
93.07045	1.5
95.04964	0.9
95.08597	2.3
96.08120	2.5
97.02880	0.4
97.06548	0.8
97.10161	0.4
98.06043	0.9
98.09660	2.4
99.08093	2.8
105.07005	1.8
107.08580	1.3
108.08099	1.3
109.06497	0.6
109.10145	0.8
110.09669	0.5
113.08363	0.5
114.09129	0.5
116.10725	15.3
119.08578	1.9
121.10124	1.0
122.09709	0.9
123.11691	0.5
133.10091	0.7
136.11185	0.6
143.10666	1.8
147.11687	1.1
154.15863	3.1
157.10234	0.6
166.15926	2.2
168.17453	0.9
178.15897	1.2
196.16965	7.4
214.18008	100.0
215.18344	1.5
282.24307	0.5
283.06262	0.5
344.24170	3.1
368.23099	0.7
424.30759	0.9
442.26529	0.8
442.31573	5.8
442.37793	1.2
450.06287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.8
56.05030	2.1
56.96544	1.4
58.06585	0.9
58.99557	1.6
60.30407	0.8
67.05491	1.4
69.03417	2.3
69.06751	0.9
69.07063	7.8
69.52222	0.9
70.02932	1.4
70.06586	36.9
70.61493	3.3
71.06885	1.2
72.08149	60.6
73.02896	1.1
73.04012	1.3
79.05471	1.1
81.03406	2.0
81.07030	2.2
83.04955	1.3
83.06080	1.1
84.04488	2.6
84.08141	6.6
85.02878	4.1
85.04005	1.7
85.06541	1.2
86.09698	100.0
87.05585	10.0
91.05466	1.3
93.07010	1.4
95.04922	1.3
95.08591	1.2
96.08128	6.2
97.02890	2.5
98.02374	4.4
102.05529	1.0
104.57101	0.9
105.03366	3.6
107.08544	1.4
107.09932	0.9
109.02824	1.1
109.06509	1.0
110.06010	0.9
110.07138	3.6
110.09653	2.6
112.05088	1.7
113.10731	2.6
116.01640	2.7
116.07088	41.6
119.08597	0.9
120.08055	2.0
121.02827	0.9
121.10141	1.4
123.08041	1.0
124.07546	2.0
127.03879	2.7
127.08649	1.3
129.10249	4.6
132.34563	0.8
134.06004	1.4
134.99550	1.0
135.07997	0.9
136.07523	1.5
138.09129	7.1
141.10199	23.7
143.11771	1.3
144.01083	1.1
145.04958	1.5
146.06020	1.1
147.04391	2.1
151.07451	1.0
152.07053	1.5
155.11787	32.7
159.58136	0.9
162.02193	3.0
163.02513	1.1
164.01802	1.1
166.08646	1.7
177.41299	1.1
182.12909	1.1
183.11252	18.1
183.12720	1.3
186.12337	1.3
193.04929	2.6
194.05351	2.2
194.08052	1.3
195.14883	1.7
200.13925	89.1
211.10779	2.9
214.12009	1.1
215.13896	23.5
222.16008	2.6
228.13417	81.5
239.14993	1.6
262.11191	1.0
263.11426	2.0
268.16568	3.0
280.19165	1.5
282.18204	1.3
299.20828	3.1
301.16446	1.7
309.19165	1.7
310.17633	1.7
327.20239	34.0
383.66440	1.1
399.14917	1.2
442.13782	2.6
443.15076	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	442.164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	1.2
56.96560	1.2
58.61295	0.8
58.99579	8.6
60.29644	0.6
60.66231	0.7
61.14753	0.7
65.03941	0.8
67.05500	5.2
69.03439	0.8
69.07024	0.9
70.06590	23.7
71.04969	1.0
71.58700	1.1
72.08147	5.1
73.02898	0.7
74.00648	1.6
74.06080	0.9
76.02218	2.1
79.05490	1.9
81.03419	1.0
81.07059	1.0
83.06096	1.0
84.04497	2.3
84.08149	4.7
85.02869	1.6
86.09711	4.8
86.99045	7.1
88.03985	2.6
91.05468	1.6
93.07020	1.0
94.06556	9.8
95.04947	1.7
95.07363	1.3
95.08614	1.0
96.04498	5.6
96.08118	12.7
97.02863	1.0
98.06039	3.3
98.97593	1.2
100.02197	38.4
102.00127	1.4
102.05567	0.8
105.00081	12.2
105.07021	1.3
108.08096	1.2
110.06050	1.4
110.07143	2.7
111.02652	1.7
111.09222	1.4
112.07586	0.9
113.04202	2.2
116.07066	2.6
116.98609	1.1
119.04932	2.3
119.07359	0.8
120.01154	2.9
120.04459	1.0
120.08096	1.1
121.06496	0.8
121.10052	0.7
122.02711	0.8
122.06021	27.6
123.06820	0.9
124.07577	21.6
125.00582	1.5
126.05556	1.3
127.03906	1.0
128.05339	0.8
129.10223	2.3
133.06032	0.7
136.07568	35.6
137.04193	0.6
137.07901	0.9
138.05489	2.8
138.07980	1.5
138.09128	12.3
139.08670	2.5
140.07069	2.8
146.02695	100.0
147.03151	1.4
147.04413	4.5
147.09163	1.7
148.00656	0.8
150.05484	1.6
154.03210	16.8
156.04765	5.0
164.07059	39.8
165.07419	1.3
166.04996	2.7
169.13332	2.7
174.09125	0.9
180.04796	4.5
180.06161	0.8
182.08125	25.9
182.09749	1.3
183.14986	0.9
187.10907	1.3
188.10675	1.7
197.07457	2.7
197.12904	1.1
198.09135	2.9
200.03738	2.0
202.12218	1.2
208.04350	1.4
211.14432	1.6
212.10663	2.1
213.12338	1.0
214.12436	0.8
215.11787	1.5
216.10124	2.7
226.08669	1.3
226.15497	0.9
229.13254	0.8
230.11746	2.5
232.13002	0.9
240.10207	2.2
243.07976	88.2
243.11182	6.3
244.09692	2.4
257.09848	1.7
257.12860	8.0
258.11227	6.5
281.14938	1.2
285.12311	10.6
286.10544	3.8
293.11572	0.9
299.14005	1.2
303.13376	22.8
304.11755	31.1
305.11948	1.6
315.13098	0.9
321.14496	2.4
329.18378	0.8
378.14890	3.1
424.15332	12.2
424.25241	1.1
426.61966	0.7
442.16473	7.5
442.26495	2.2
443.20242	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	441.3727
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03928	0.7
55.05511	3.2
56.96542	0.9
57.03421	0.5
57.07062	1.1
59.04973	0.5
60.86747	0.3
61.02922	0.6
67.05504	5.1
68.05807	0.4
69.03410	1.8
69.07065	4.0
69.54300	1.8
69.54731	0.9
70.03710	0.5
71.08623	0.7
75.00101	0.4
77.69382	0.3
79.05492	3.5
79.97842	0.4
81.07052	9.1
82.69296	0.4
82.94744	0.4
83.04951	0.8
83.08614	2.9
83.19133	0.4
85.02906	0.5
85.06535	0.5
86.09687	0.5
87.30235	0.5
91.05486	3.6
93.07038	7.7
95.04955	1.3
95.08601	13.3
97.06532	0.9
97.10162	1.3
98.20737	0.7
105.07029	5.9
107.08591	12.0
109.06493	1.1
109.09454	0.7
109.10159	10.6
111.08095	1.0
111.11736	0.6
116.98605	0.5
117.06990	0.8
119.08571	8.5
121.06490	0.4
121.10146	10.7
121.39002	0.4
123.08057	1.3
123.11700	9.9
125.09637	1.0
131.08568	2.5
133.10132	9.6
134.99648	0.4
135.08031	0.8
135.11690	8.7
137.09604	1.8
137.13258	1.2
137.53326	0.4
143.08478	0.5
145.10117	4.3
147.11674	5.0
149.09595	0.5
149.13260	4.7
151.11183	5.1
151.14793	0.6
152.27280	0.4
157.10132	1.3
159.11703	5.1
160.12094	0.6
161.13261	3.6
163.14841	2.7
165.12770	1.3
171.11703	0.9
173.13252	2.2
175.14803	4.0
177.12723	0.4
177.16386	1.7
179.14320	0.6
185.13316	0.7
187.14845	1.9
189.16364	2.5
191.17928	3.3
199.14738	0.7
201.16385	5.2
201.18042	0.7
203.17989	3.0
213.16422	0.7
215.17943	2.8
217.15834	0.5
217.19493	1.0
219.17413	1.0
227.17987	1.1
229.19521	0.7
231.21240	0.5
233.18936	0.6
241.19539	0.7
243.21086	0.7
257.22693	0.6
269.22589	0.5
283.24084	0.6
293.63458	0.4
294.21387	0.6
295.21716	0.9
333.17691	0.5
367.17905	0.5
423.31210	0.5
423.36090	1.8
441.37274	100.0
442.37646	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	441.3724
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05512	31.4
56.96555	6.2
57.07067	13.5
60.08164	4.8
67.05497	29.2
69.03432	11.4
69.07062	40.1
71.04973	33.6
73.06544	9.9
79.05481	30.0
81.07057	70.9
83.04960	11.7
83.08592	45.0
85.02897	16.4
85.06545	26.5
86.09693	19.2
91.05470	21.7
93.07030	57.1
95.04977	6.9
95.08598	78.4
97.06535	9.0
97.10152	19.9
98.20771	10.1
99.08089	23.2
104.10735	6.9
105.07012	52.4
107.08591	95.9
109.10153	68.4
111.08041	9.4
119.08576	54.1
121.10133	57.7
123.08086	8.0
123.11670	30.9
125.00005	13.4
125.09621	71.3
126.09907	5.4
127.07538	9.7
127.11145	10.0
129.07008	7.5
129.09113	24.3
131.08557	17.7
133.10112	88.4
135.11682	32.9
137.13234	7.1
143.08559	7.3
143.10664	100.0
145.10112	34.5
147.11693	47.5
149.13240	45.5
151.11125	6.5
155.10657	14.3
157.10109	13.9
159.11662	33.0
161.13239	29.1
161.63869	5.1
169.12245	11.4
171.11632	13.2
173.13269	18.0
175.14787	24.7
177.16403	14.1
179.14212	5.5
184.07362	29.6
185.13255	14.9
187.14793	18.8
189.16385	10.5
191.17981	7.1
193.15857	17.2
199.14796	15.0
201.16345	21.3
203.17940	20.4
205.15872	23.9
205.19600	6.4
211.16992	7.0
213.16447	11.0
215.17944	14.6
217.15912	6.2
217.19562	8.9
229.19501	17.2
231.17392	6.8
231.20979	11.9
240.09908	7.0
243.21175	12.4
255.21049	13.4
269.22601	13.1
278.27170	5.2
279.64587	5.4
285.22037	6.7
321.80551	6.5
337.20602	12.3
337.28717	9.2
405.35297	11.3
423.36276	61.2
433.76102	6.1
441.37259	73.1
442.35428	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	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05504	15.2
56.54998	7.3
67.05507	19.4
68.05273	8.3
69.07061	31.0
79.05482	18.6
81.07072	44.3
83.08618	12.9
91.05460	16.3
93.07040	53.9
95.08598	61.9
95.12350	7.8
97.10172	9.3
98.20679	12.5
105.07033	25.0
107.08585	59.7
109.10146	48.5
109.48888	7.8
119.08578	30.1
120.34673	8.8
121.10128	52.8
123.11702	33.6
131.08482	9.9
133.10132	28.3
134.69093	8.4
135.11679	46.7
137.13234	8.3
145.10143	9.8
147.11655	21.9
149.13235	29.9
157.10175	8.9
159.11667	16.3
173.13260	10.7
175.14716	8.4
191.17961	15.7
201.16434	17.2
203.17934	14.6
205.19612	9.6
230.13577	7.8
233.19028	11.0
261.22153	25.0
275.23517	9.9
298.06726	7.9
301.25140	16.8
333.25394	8.3
401.07278	9.4
423.36328	100.0
441.37241	93.1
464.98438	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	441.3725
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
52.77406	0.3
55.05505	1.8
56.96556	0.3
57.03415	0.3
57.07061	0.9
59.04988	0.5
61.02930	0.3
65.03961	0.3
66.16399	0.2
67.05502	2.8
69.06752	0.3
69.07068	2.8
69.84650	0.4
69.85062	1.2
79.05488	2.1
81.07056	7.9
83.04946	0.4
83.08611	2.1
85.06546	0.4
91.05474	2.4
93.07038	6.9
94.07368	0.3
95.04982	0.7
95.08600	11.4
97.06531	0.4
97.10160	1.2
99.08087	0.5
105.07026	5.1
107.08590	10.6
109.06497	1.1
109.10149	9.3
109.10896	0.3
111.08094	0.8
111.11731	0.3
117.07037	0.7
119.08573	7.1
121.10134	9.0
123.08058	1.0
123.11696	9.9
123.12570	0.6
125.09625	0.9
131.08556	1.6
133.10120	8.0
134.10403	0.3
135.08058	0.6
135.11674	8.2
135.12688	0.4
137.09634	1.4
137.13248	1.6
139.11160	0.5
145.10114	3.1
147.11679	5.1
149.09619	0.5
149.13239	3.8
151.11165	4.4
151.14900	0.4
157.10153	0.9
158.10901	0.4
159.11679	4.3
161.13254	3.5
163.14793	2.6
165.12691	0.8
171.11670	0.9
173.13243	2.3
175.14813	3.0
177.12704	0.4
177.16425	1.7
179.14299	0.5
183.87978	0.3
185.13251	0.7
187.14813	2.2
189.16351	2.5
191.17923	2.7
193.15947	0.4
199.14856	1.4
201.16370	5.6
203.17923	2.5
205.15857	0.7
205.19586	0.3
213.22839	0.3
215.17953	1.9
217.19528	0.9
219.17451	1.2
227.17809	0.5
229.19592	1.0
231.17561	0.3
243.21136	0.5
257.22647	0.4
269.22803	0.4
271.24197	0.4
324.85629	0.3
405.35184	0.6
423.36313	2.1
441.37253	100.0
442.37543	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	441.3724
Annotation	(-)-Duryne
Peak:m/z	Relative Intensity
55.05507	2.2
57.07046	1.5
67.05495	2.8
69.03407	1.2
69.07067	5.1
70.19044	0.9
70.57290	2.6
79.05489	2.0
81.07053	9.1
83.08605	2.7
91.05463	2.8
93.07038	8.0
95.08600	12.3
97.10152	1.6
105.07018	4.9
107.08578	11.2
109.06527	5.4
109.10145	9.8
111.08071	1.1
119.08578	3.9
121.06462	1.4
121.10141	8.4
123.08073	4.2
123.11680	6.0
131.08543	1.9
133.10143	4.2
135.08018	1.4
135.11685	10.5
137.09584	1.2
137.13239	1.6
139.11185	1.5
145.10117	1.1
147.11693	3.3
149.09587	1.9
149.13254	4.9
151.11176	12.5
153.12668	1.0
159.11673	2.7
161.13237	1.6
163.11165	3.1
163.14806	1.6
165.12755	6.2
175.14862	2.4
177.12727	1.8
187.14865	1.6
189.16443	2.0
191.14325	1.1
191.17917	7.8
201.16275	1.3
205.15759	1.3
219.17511	4.0
271.24310	1.1
301.42831	1.0
423.36191	2.7
428.39038	1.0
441.37259	100.0
442.37628	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	441.3726
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05509	2.0
57.03416	0.4
57.07066	0.9
58.01160	0.4
63.97179	0.3
67.05499	4.4
69.07063	3.2
70.28365	0.7
70.28760	0.6
71.04994	0.4
71.08630	0.5
73.30651	0.3
76.86465	0.3
79.05485	2.2
81.07051	7.7
82.37836	0.3
83.08604	2.3
83.10787	0.3
85.06530	0.4
91.05476	2.4
91.51909	0.3
93.07035	6.2
95.04973	0.6
95.08603	12.2
97.06544	0.7
97.10168	0.9
97.15589	0.3
105.07030	4.9
107.08591	9.4
109.06496	0.9
109.10148	9.3
109.10905	0.4
111.08076	0.7
113.09599	0.5
117.07024	0.8
119.01943	0.3
119.08579	6.4
121.10136	8.9
123.08076	0.7
123.11701	9.3
124.12097	0.3
125.09640	0.6
131.08611	1.4
133.10124	6.7
135.08044	0.7
135.11697	7.9
137.09628	1.1
137.13268	1.2
143.08531	0.4
145.10109	3.7
147.11668	5.0
149.09595	0.5
149.13277	3.9
151.11163	4.2
151.14828	0.5
157.10156	0.7
159.11674	4.0
161.13243	3.5
163.11189	0.6
163.14836	2.9
165.12755	0.6
171.11682	0.8
173.13272	1.9
175.14795	3.0
177.12721	0.3
177.16389	1.8
183.11624	0.3
183.94312	0.3
185.13237	0.4
187.14789	2.4
189.16362	2.9
191.17958	2.8
199.14908	1.0
201.16348	4.5
203.17937	2.4
205.15849	0.4
213.16328	0.8
215.17953	2.1
217.19531	1.0
219.17491	1.3
227.17981	0.6
229.19478	1.1
231.21130	0.4
233.18939	0.4
243.21075	0.7
271.24075	0.4
405.35123	0.4
423.36197	2.6
441.37256	100.0
442.37515	3.9
444.69592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03954	0.4
55.05509	2.2
57.07062	1.1
58.12011	0.4
67.05501	4.4
69.07066	3.7
69.85056	0.5
69.85362	2.9
71.04991	0.5
72.22727	0.4
79.05479	2.6
81.07052	8.6
83.04948	0.5
83.08595	2.2
85.06553	0.5
86.09666	0.6
91.05485	3.0
93.07043	6.3
95.08598	11.9
97.06520	0.9
97.10162	1.3
99.08127	0.5
100.86641	0.6
105.07034	5.4
107.08587	11.3
109.06489	1.1
109.10146	10.8
111.08097	1.5
117.07003	0.6
119.08562	6.8
121.10143	9.0
123.08081	1.3
123.11705	8.9
131.08583	1.5
133.10126	7.8
135.08066	0.6
135.11693	8.0
137.09576	1.2
137.13254	1.5
139.11159	0.6
140.44455	0.5
143.08545	0.5
145.10117	3.2
147.11679	4.6
149.09593	0.5
149.13263	3.9
151.11172	4.0
157.10109	0.8
159.11653	4.0
161.13252	3.3
163.14767	2.2
165.12787	1.5
171.11667	0.6
173.13245	2.0
175.14774	3.7
177.12918	0.6
177.16379	1.4
185.13268	0.5
187.14833	1.6
189.16324	2.8
189.33374	0.5
191.17900	3.3
199.14810	0.7
201.16371	5.1
203.17921	3.2
205.68680	0.4
213.16447	0.8
215.17969	2.3
217.19490	1.0
219.17369	1.0
227.18089	0.7
229.19522	1.0
233.18938	0.7
243.21115	0.6
255.21283	0.5
262.63113	0.5
269.22537	1.0
283.24252	0.7
341.27939	0.5
344.22693	0.5
368.90210	0.4
405.35187	0.9
423.36365	2.6
424.36697	0.5
441.37268	100.0
442.37595	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	441.3
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
55.05492	12.2
57.07051	6.8
62.90582	2.4
67.05219	2.5
67.05507	26.1
69.07074	18.5
69.37862	26.7
79.05499	16.2
81.07057	42.1
83.08601	7.5
87.04501	2.8
91.05474	17.6
93.07047	27.1
94.04200	3.1
95.04977	3.1
95.08137	2.7
95.08614	33.3
97.06425	2.4
105.07019	16.0
107.08578	18.9
109.10149	19.2
111.08027	2.8
117.03372	7.1
118.19792	2.5
119.08560	11.6
121.10137	16.0
122.03661	6.5
123.11698	9.3
129.06903	4.2
131.04903	7.2
131.08542	5.4
131.71925	2.9
133.10094	9.1
135.04434	3.6
135.11691	13.1
137.05977	100.0
137.13348	3.0
138.57590	2.6
143.10707	2.9
145.02859	13.9
145.10197	3.0
147.11676	9.2
149.13243	7.6
154.55290	2.7
159.11546	3.1
160.05234	5.0
161.13232	5.0
163.07533	4.8
163.14847	6.3
171.11731	2.6
175.07541	14.7
175.14796	5.4
177.05475	50.2
179.07048	4.9
181.06470	4.7
183.08116	3.2
187.07545	55.1
189.09126	13.8
189.16341	7.9
195.08119	3.6
201.09116	8.3
203.10739	2.6
213.09113	11.5
215.07132	3.4
215.10661	9.8
220.52963	2.5
227.10674	11.1
228.11459	3.9
229.12297	5.2
231.13968	3.6
241.12291	3.6
243.13760	3.3
245.22647	5.6
255.13780	4.9
257.15384	4.2
263.23685	26.8
271.17047	3.1
283.16785	3.2
305.24780	6.2
317.24774	3.4
392.83002	2.9
395.29416	17.7
413.30380	35.3
423.28888	9.4
441.30157	64.5
441.37054	9.3
442.30118	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	441.2998
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
53.03948	1.6
55.05505	10.3
57.07072	4.4
63.47358	1.1
67.05503	24.6
69.07063	11.8
69.93393	6.4
71.04981	1.4
76.88475	1.1
79.05491	18.0
81.07050	33.0
81.07516	2.0
83.08631	5.5
85.06535	1.6
89.03940	1.6
91.05482	12.3
93.07040	22.5
94.04240	1.1
95.04964	2.3
95.08606	28.8
97.10171	2.8
98.20774	1.3
103.05444	1.5
105.07041	12.5
107.08585	19.0
109.06544	1.4
109.10155	15.0
115.05448	2.7
117.03374	3.9
117.07024	3.5
119.08577	10.1
121.10149	16.1
122.03637	5.1
123.11698	10.0
129.07053	3.5
131.04955	5.1
131.08566	3.0
133.10117	11.5
135.11681	13.1
137.05969	100.0
137.13255	3.2
138.06303	1.9
141.07013	1.3
143.04945	2.7
143.08524	1.7
143.63760	1.0
144.05750	1.2
145.02835	14.6
145.06555	1.8
145.10149	2.5
147.11687	9.1
149.06013	2.0
149.13243	9.7
151.07506	3.2
151.11200	2.6
151.14859	1.6
153.05318	1.1
153.06999	1.9
155.08609	2.9
157.06500	3.2
159.11655	2.4
160.05211	4.1
161.05995	1.7
161.13226	6.8
163.07555	4.7
163.14804	5.3
165.07016	1.8
165.09074	1.4
167.08585	2.4
169.06415	2.0
169.10155	1.8
171.08072	2.4
171.11705	1.1
172.05243	2.6
173.05823	1.4
173.13295	1.9
174.06810	3.8
175.07533	18.6
175.08981	1.4
175.14841	4.8
177.05466	43.4
177.09082	2.0
177.16365	2.1
178.05856	1.2
179.07031	3.8
179.14430	1.5
181.06512	4.8
181.10139	1.4
183.08070	4.3
185.09654	1.4
187.07532	52.8
187.14848	2.4
188.07991	1.6
189.09068	12.5
189.16382	3.5
191.07033	1.5
191.17905	1.6
193.15993	1.2
195.06497	2.4
195.08084	5.4
197.09642	3.4
199.14738	1.7
201.05374	1.4
201.09039	8.3
201.16389	3.8
203.10645	1.4
203.17944	2.7
209.09564	2.4
211.07553	1.5
211.11084	2.0
213.09114	13.9
214.09792	1.8
215.10583	7.2
215.17952	1.5
217.12364	1.9
219.06503	1.2
225.09052	2.6
227.10623	11.6
228.11385	2.9
229.12279	4.4
233.08151	3.1
237.09065	2.0
239.10753	1.7
241.12144	6.1
243.13832	2.9
245.22696	5.1
247.24257	2.8
255.13766	3.4
257.15369	2.8
263.23691	26.6
269.15417	3.9
270.15939	1.3
271.16959	1.8
277.14325	1.2
283.16928	2.6
285.18433	2.6
289.25342	1.5
299.19971	1.5
305.24808	3.7
311.19885	1.4
317.24756	2.7
329.17233	1.4
365.65012	1.4
381.28036	3.4
395.29474	20.8
396.29617	1.4
399.28882	4.3
405.28253	1.5
413.30472	32.0
414.30771	2.0
423.28894	12.5
423.36102	3.8
441.29999	67.0
441.37186	41.2
442.30463	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	441.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
53.63414	1.0
53.65841	1.1
55.01865	6.2
55.05512	11.1
57.03415	2.5
57.07072	1.7
62.82691	1.0
67.05499	14.1
69.07066	5.6
72.08133	1.0
75.37420	1.0
79.05482	17.0
81.07054	15.2
83.04979	1.4
83.08609	5.1
85.02889	1.3
91.05470	10.2
93.07034	10.7
95.04987	2.3
95.08593	13.9
97.06526	1.3
97.10147	4.8
105.07018	9.0
107.04922	3.5
107.08587	9.7
109.06500	1.3
109.10159	6.6
111.08073	3.1
115.05437	2.9
117.06985	7.3
119.04978	2.0
119.08588	3.5
121.06480	10.9
121.10113	3.9
123.08058	2.9
125.09619	2.6
128.06215	3.6
129.06995	14.3
131.04924	13.6
131.08525	9.6
133.06480	6.4
133.10117	2.1
135.11668	1.3
141.06964	5.5
142.07707	1.1
143.08543	11.2
144.05688	6.3
145.06471	83.2
145.10081	2.7
146.06879	1.4
147.07997	4.9
151.07484	1.7
153.06973	2.0
154.07724	1.2
155.08586	6.0
157.06454	13.8
157.10074	1.9
159.04411	2.6
159.08020	7.7
159.11624	1.5
161.05954	6.8
161.09659	2.7
165.09102	3.5
167.08536	6.7
169.06474	9.5
169.10112	4.3
170.07188	2.0
171.08060	17.0
171.11736	1.2
173.06036	1.3
173.09601	3.3
179.08592	2.3
181.06468	3.9
181.10071	4.7
182.07231	2.2
182.10909	1.2
183.08006	8.2
183.11652	1.3
184.08792	1.7
185.09590	8.8
187.07440	1.2
193.09955	1.6
195.08018	7.3
195.11674	9.5
196.08884	1.0
197.09590	5.7
197.13264	5.0
198.09990	1.5
199.11179	1.6
205.10240	1.8
207.08040	1.8
209.09631	3.7
209.13152	2.7
211.11209	6.3
213.12730	2.4
214.17879	1.1
219.11626	2.7
221.09561	1.0
223.11162	4.3
225.12727	5.9
227.14314	8.9
235.11224	2.4
237.12752	11.1
239.14322	2.1
243.13866	2.8
251.14281	1.7
253.15700	1.6
255.13780	17.8
257.15375	2.5
260.12643	1.3
273.14813	37.8
281.15387	6.1
283.16983	3.4
287.16357	2.6
293.15369	2.5
295.17108	2.4
297.18460	2.0
299.16397	3.1
311.16434	6.2
313.17877	2.1
321.22043	2.3
323.19809	1.3
325.17886	3.1
331.20667	2.8
339.23154	9.2
349.21564	32.9
349.25656	2.1
367.22632	59.9
368.23251	1.9
377.24939	2.0
385.23529	10.0
387.23297	3.7
395.25775	2.7
405.24127	14.2
423.24918	6.3
441.26318	100.0
442.26498	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	441.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	15.4
70.06579	2.4
84.96026	7.1
85.02879	1.8
98.91940	3.7
98.97573	79.2
102.59908	1.3
110.07144	1.4
110.97549	19.3
112.99140	3.4
116.98609	52.8
116.99443	2.7
125.56720	1.3
127.00714	1.4
128.98601	31.0
131.00151	4.0
134.99632	16.2
136.07529	1.4
140.98586	6.1
143.00159	10.8
145.01682	1.5
146.99641	22.9
149.01227	4.5
152.98567	2.9
153.00703	1.6
158.99641	36.9
161.01215	17.3
165.00732	2.2
167.02295	1.2
170.99644	23.4
173.01254	1.5
177.00700	42.6
179.02238	3.5
182.99684	9.2
189.00703	32.5
189.02344	2.1
191.02304	2.2
195.01791	4.4
201.00691	57.0
202.00989	1.5
207.01712	9.1
212.02666	1.2
213.00708	4.5
219.01752	53.8
231.01764	7.8
237.02786	26.9
243.01730	18.7
249.02878	2.5
261.02802	100.0
262.03146	2.0
273.02826	6.7
279.03860	74.7
280.04156	2.2
291.03827	19.4
297.04898	5.2
302.05478	3.2
309.04880	3.4
321.04895	43.8
333.04926	4.3
351.06009	6.2
365.10202	1.4
374.69995	1.4
381.07022	4.0
399.07990	4.8
441.09058	19.0
441.14673	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	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01867	1.4
55.05501	3.7
56.05028	1.9
56.96580	1.4
57.03432	1.8
58.99586	3.1
60.04515	1.2
65.03930	1.3
67.05505	6.1
69.03423	4.4
69.07059	9.9
70.06588	20.5
71.04993	10.2
71.59645	1.7
72.08147	3.7
72.20390	1.0
73.02911	4.2
75.15691	0.9
76.02220	3.4
79.05487	4.8
81.03422	2.4
81.07057	6.8
83.04967	2.8
83.08613	1.4
84.04507	4.5
84.08148	9.0
85.02903	18.2
85.06543	2.5
86.09711	8.7
86.99060	1.1
87.00809	1.3
88.04011	1.0
91.05487	6.4
93.07040	6.8
95.04978	2.2
95.08623	5.5
96.62395	0.9
97.02888	3.8
97.03439	0.9
97.06531	4.8
98.97568	2.9
99.04462	4.9
99.05585	1.0
99.08096	1.2
100.02189	2.9
101.02372	13.9
101.67770	0.9
103.05463	1.3
105.07024	4.2
107.08594	3.2
108.08107	1.0
109.02865	2.6
109.06548	1.1
109.10152	1.7
110.06087	1.3
110.07152	4.6
111.04433	2.2
113.06000	10.5
113.09630	1.4
116.07106	3.1
116.98618	3.1
117.07000	1.5
119.04958	2.0
119.08578	4.0
120.08102	3.7
121.06531	2.5
121.10139	27.1
122.06007	1.2
123.08037	1.1
124.07566	1.4
125.05994	20.6
127.03925	3.9
127.04884	1.0
128.07074	2.8
129.10262	4.1
131.04953	1.0
131.08554	1.4
133.06511	1.4
133.10115	1.0
134.99678	1.1
135.08005	1.1
135.11691	3.7
136.07564	2.9
137.06000	1.3
137.09589	1.2
139.11171	3.2
145.10146	2.5
146.02715	4.2
146.06004	3.5
147.04413	4.2
147.08037	1.5
152.98352	3.4
153.12799	4.6
155.14268	1.4
157.12199	2.1
158.99695	1.4
162.05475	3.1
163.11157	10.8
163.12367	1.4
166.08614	1.2
167.08464	1.0
170.99454	3.4
172.07501	1.6
175.08621	1.3
175.13312	2.1
176.07100	3.0
177.00822	1.4
177.05490	1.8
181.12218	20.8
186.09085	2.2
198.09186	2.6
199.13289	100.0
200.13635	1.7
213.10216	4.6
213.12311	2.4
214.08597	2.4
215.11719	2.0
216.10239	1.3
222.07643	3.2
235.10811	3.4
240.08836	1.4
241.09709	10.7
242.08130	1.7
243.11401	6.7
255.11333	2.7
258.12372	3.9
259.10751	10.4
265.01813	1.1
272.24747	1.0
279.05167	3.0
283.10687	3.7
285.12335	5.5
297.06094	5.2
299.08609	1.3
299.14893	4.5
301.11841	13.5
302.10025	2.0
303.13260	1.6
317.13660	8.8
319.12643	2.1
360.14349	2.3
362.11588	3.4
376.12747	1.1
378.15564	12.0
404.12753	8.5
405.11227	3.7
422.13809	36.8
423.13000	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	440.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34656	1.8
58.99569	6.6
60.20942	1.5
64.76208	1.6
67.05488	2.7
67.40712	1.6
70.06573	3.2
70.56781	2.0
70.57131	5.2
72.08204	1.6
76.02225	9.6
79.05438	1.8
84.08131	3.9
85.02863	1.8
86.99038	2.1
88.03954	1.7
100.02200	5.6
101.02346	2.7
110.07098	1.6
121.10122	3.2
122.06074	2.0
136.07645	1.9
146.02715	7.1
164.07034	1.6
172.07648	2.8
174.09108	2.0
175.08653	3.3
176.06993	1.9
181.12213	1.9
186.09189	2.2
188.03645	3.3
189.10190	2.7
196.07529	2.8
198.09123	5.4
199.13274	10.1
213.10231	10.2
214.08606	3.7
215.11787	5.1
217.09666	4.5
226.07156	2.6
227.08150	1.8
235.10770	9.7
239.08348	2.6
240.08925	4.8
241.09709	29.4
242.08104	3.7
243.09470	1.8
243.11343	19.1
254.10565	2.3
255.11319	3.9
258.12454	11.8
259.10767	26.9
260.09167	2.7
283.10922	8.7
284.09198	2.7
285.12369	12.3
286.09470	3.0
299.08423	2.7
301.11780	30.8
303.13358	3.5
317.13672	23.2
318.12570	2.8
319.12860	6.7
355.37915	1.7
360.13562	2.1
362.11578	9.5
363.09799	4.6
378.15112	2.4
378.76471	1.7
404.12686	30.2
405.11316	12.3
422.13809	100.0
423.11923	11.4
442.26581	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	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.1
57.07074	4.0
58.40934	1.6
67.05502	16.8
69.03419	2.2
69.07072	15.6
70.21019	5.8
70.21443	4.1
79.05494	17.7
81.03406	2.3
81.07050	28.5
81.65308	1.9
83.04959	2.5
83.08604	6.3
85.06557	2.7
89.88045	1.8
91.05470	19.0
93.07031	17.9
95.04977	4.8
95.08595	29.9
97.06504	2.6
97.10136	3.4
102.59273	1.8
105.07012	29.5
107.08584	51.2
109.06515	8.5
109.10150	22.6
109.96632	1.8
111.08051	2.8
117.07037	2.2
119.08575	46.2
121.06485	3.8
121.10133	16.9
123.08042	6.5
123.11716	5.9
126.53759	1.8
129.06989	2.7
131.08562	8.3
133.10118	44.4
135.08046	63.3
135.11673	48.4
137.09625	7.1
137.13237	3.1
142.07730	2.9
143.08557	2.9
145.10133	10.3
147.08064	6.2
147.11681	25.4
149.09567	4.6
149.13237	10.6
151.11156	5.1
157.10132	6.7
159.11630	9.2
161.09625	15.8
161.13206	8.7
163.11150	3.6
163.14847	9.9
169.10161	3.1
171.11670	6.1
173.13306	6.2
175.11176	4.5
175.14844	6.2
177.12772	2.0
177.16393	2.9
179.14256	3.2
183.11684	2.4
185.13271	2.9
187.14819	7.4
189.12735	4.4
189.16365	72.8
191.14334	1.8
191.17926	4.3
199.14845	7.8
201.16417	2.3
203.17957	2.2
205.15852	3.5
207.17418	100.0
208.17741	2.4
211.14815	2.7
213.16321	6.3
215.17961	2.3
217.15836	37.6
219.17429	3.0
231.17471	2.1
312.85590	1.9
321.26074	2.0
337.28915	2.4
339.27115	2.2
355.29877	11.6
357.28046	11.2
388.28839	2.1
397.31012	3.0
421.34750	12.0
439.35699	67.3
440.35880	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	439.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49748	1.0
53.03933	2.4
54.78730	0.9
55.05509	7.7
57.07069	2.7
58.26559	0.9
64.08073	0.9
67.05500	19.9
69.07057	6.6
69.41570	1.1
70.00043	4.2
71.08632	1.6
79.05486	16.8
81.07056	18.7
83.08607	3.0
85.10210	0.8
89.03909	5.1
89.06027	1.7
91.05479	18.4
93.07038	20.7
95.04948	2.8
95.08591	14.2
97.10176	1.9
97.67766	0.9
98.21358	1.1
103.05490	1.5
105.07020	20.9
107.08576	14.4
109.06516	1.5
109.10188	6.6
111.08106	1.1
117.03365	13.1
117.07011	5.2
119.08577	19.9
121.10136	12.1
122.03537	1.5
123.11697	3.7
128.06151	1.1
129.06985	1.7
131.04921	2.0
131.08562	7.9
133.08600	1.4
133.10117	12.9
134.03697	1.3
135.11696	9.2
137.05975	22.8
137.13229	1.6
143.08556	2.3
145.02832	40.2
145.06520	1.1
145.10114	5.8
147.11679	7.5
149.05966	6.3
149.13269	10.0
152.14365	1.0
153.06935	1.2
157.06549	1.3
157.10120	2.1
159.08075	1.1
159.11671	6.1
161.05956	1.7
161.13229	6.4
163.03918	2.1
163.14796	4.8
165.06970	2.1
165.09160	1.0
167.08482	1.4
169.06410	1.2
169.10152	1.2
171.11687	2.9
173.13257	3.1
175.07527	5.2
175.14807	4.5
175.98338	1.0
177.05463	100.0
177.16393	1.8
178.05739	1.6
179.07047	2.0
179.08559	2.1
181.06464	2.2
181.10115	1.1
186.05470	2.2
187.07547	6.2
187.14787	1.6
189.09137	2.7
189.16435	3.2
193.10194	1.2
195.06523	6.5
195.08092	2.8
201.09120	3.2
201.16418	1.9
203.10617	1.2
207.08040	2.0
209.09564	2.9
211.07549	1.2
212.08273	1.8
213.09154	6.3
215.06909	1.2
215.10722	2.9
221.09634	1.3
224.08356	1.2
225.09123	6.1
226.09981	1.6
227.10680	5.8
229.12289	2.3
235.11047	2.0
239.10649	2.7
241.12239	2.9
243.21165	3.3
245.22595	5.5
249.12689	1.8
253.12256	3.9
255.13869	3.9
257.11984	1.5
257.15067	1.1
261.22208	2.9
267.10474	1.0
267.13803	2.9
269.15402	2.8
281.15390	3.1
283.16821	1.1
295.16977	2.2
315.23358	2.5
337.21054	1.1
361.25433	1.6
379.25992	1.2
393.27957	2.1
397.27606	2.7
411.28906	17.3
421.27457	3.6
439.28412	46.2
439.34705	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	439.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
53.61850	0.7
55.01864	7.5
55.05507	4.9
57.03428	1.0
57.07065	0.8
65.03909	1.3
67.05497	14.5
69.03425	52.2
69.07061	24.1
69.35083	7.2
71.01334	1.7
71.04965	1.5
79.05486	14.9
81.03398	3.5
81.07049	23.9
83.04984	4.8
83.08611	3.7
85.02879	1.0
85.06560	1.1
91.05474	13.3
93.07041	18.6
95.04959	16.4
95.08597	16.2
97.06532	12.9
97.10197	1.1
99.08086	2.2
105.07023	9.8
107.04948	11.6
107.08585	11.7
109.02895	2.3
109.06501	4.9
109.10153	7.2
111.08066	3.3
114.94618	0.8
115.07533	1.1
116.01694	0.7
117.06988	7.1
118.89345	0.9
119.08579	9.7
121.06494	3.6
121.10138	7.0
123.04478	1.0
123.08085	5.0
123.11712	1.3
125.09650	6.6
129.05469	1.9
129.06975	2.8
131.08569	8.2
133.06462	1.1
133.10124	8.6
135.08058	1.8
135.11681	8.3
137.09590	1.4
139.07544	2.0
141.06987	2.3
143.08531	2.4
144.01183	0.9
145.06485	5.6
145.10133	9.4
147.08017	1.3
147.11711	3.8
149.09615	1.5
149.13271	6.7
157.10152	1.1
159.08049	1.1
159.11691	10.2
161.09584	1.2
161.13246	4.3
163.11130	1.2
165.12740	1.6
169.10095	4.3
171.11649	1.0
173.09695	1.0
173.13268	2.6
175.14828	5.4
177.12746	7.4
179.14294	3.6
183.11639	1.3
185.13196	1.0
187.11168	8.2
193.12277	1.0
193.15820	3.8
195.13847	1.6
197.13216	0.9
205.12263	5.3
229.19539	1.5
239.17932	3.2
241.14334	18.3
257.19058	3.3
275.20044	33.5
280.68124	0.8
293.21088	100.0
294.21402	2.6
379.24722	1.5
421.34143	0.9
439.26526	2.5
439.35883	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	439.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.01869	3.6
55.05504	9.8
56.05029	7.2
56.96569	7.7
58.06592	3.3
60.04509	6.7
61.02921	4.5
67.05502	29.3
69.03424	13.8
69.07076	15.1
69.25018	18.7
69.25449	17.0
70.06590	90.0
71.04996	40.7
72.08155	35.8
74.06075	5.5
79.05491	12.2
79.56522	3.2
81.03406	12.3
81.07057	92.8
83.06091	7.9
83.08593	6.3
84.04498	15.0
84.08141	44.4
85.02911	29.8
85.06534	28.0
86.06024	3.3
86.09701	31.8
87.00820	10.6
89.74397	2.9
91.05479	13.7
93.07049	10.1
95.04963	10.3
95.08607	78.1
97.02879	12.2
97.06535	6.1
98.21522	6.9
98.97587	6.8
99.04478	5.7
99.08086	10.6
104.85648	3.2
105.01839	7.4
105.03368	16.1
105.07016	6.2
107.04178	2.9
107.04933	5.5
107.08595	3.7
109.02880	6.3
109.10162	9.0
110.07160	33.6
111.04443	3.0
115.08685	6.5
116.07086	7.1
116.98595	5.3
119.04945	4.6
120.08096	35.1
121.10127	3.2
122.07144	3.2
123.08111	5.1
127.03900	17.7
127.11178	4.1
128.06218	3.5
129.10233	24.1
130.06560	4.3
130.10608	3.0
132.04475	4.6
136.06213	5.6
136.07570	17.4
137.04619	4.7
137.13258	19.4
138.18126	3.3
144.07994	4.9
145.04979	6.4
147.04408	9.8
155.14307	100.0
173.15381	82.3
191.16454	14.3
195.08778	3.1
207.11290	6.4
213.12456	12.5
215.02217	3.4
215.07065	4.3
243.59021	5.1
274.11899	3.5
438.67166	4.9
439.17233	4.5
439.23016	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	439.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46712	1.1
55.05508	2.4
56.05027	2.6
60.04519	3.0
66.55049	0.9
67.05508	1.0
69.03414	2.0
69.07056	1.6
70.06588	15.1
71.59428	1.0
72.08147	10.3
73.02942	0.9
74.00679	1.2
74.06082	1.9
79.05503	1.4
81.03399	2.0
81.04554	1.1
81.07043	1.3
83.04984	2.4
83.06094	1.9
84.04485	3.4
84.08137	9.9
84.96027	1.1
85.02890	2.7
86.09702	9.1
88.03996	2.3
91.05459	3.4
93.07082	1.3
95.04937	1.1
95.08614	1.3
97.02881	1.7
98.97587	1.6
101.00875	2.3
102.05512	1.1
105.07014	1.8
109.02863	1.0
110.07152	12.0
116.98614	1.1
117.08450	1.1
119.01924	11.8
119.04921	1.7
119.08537	1.7
120.08090	6.7
121.01853	0.9
121.06477	1.1
121.10152	1.0
127.03912	1.9
129.10222	4.7
131.01825	1.2
133.10130	1.2
134.99695	1.3
136.07591	7.8
137.02913	1.3
137.07996	1.0
143.01917	11.5
145.05031	1.1
147.04378	2.6
148.07521	1.0
151.03944	1.4
157.10085	1.5
161.02960	16.6
173.12880	1.8
175.11142	2.9
185.04225	2.1
197.06511	2.0
203.05296	15.2
203.07094	1.5
205.11913	2.2
207.11330	3.7
211.08267	1.0
224.05153	1.5
233.10185	1.9
235.10715	2.3
237.02840	1.8
241.09717	1.8
249.09769	2.7
251.11272	14.9
257.10303	2.4
259.09320	9.7
263.11353	1.2
269.12344	4.1
275.11267	8.6
277.10349	1.1
293.12372	7.9
301.11880	1.2
319.10245	9.1
337.11319	19.9
377.15723	11.7
379.12308	1.1
395.16754	30.4
421.14740	3.1
422.13809	3.3
439.15732	100.0
440.15997	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	439.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01857	0.7
55.05509	2.5
57.03425	1.0
57.07061	1.2
61.02894	0.4
61.22672	0.4
62.34574	0.3
63.62436	0.4
65.03947	0.8
67.05498	4.1
68.99776	0.5
69.03423	6.8
69.07061	3.1
70.06586	1.5
70.08314	2.0
71.04967	0.7
77.03918	0.6
79.05480	6.9
81.03416	2.2
81.07057	6.7
83.04978	3.2
83.08594	1.3
84.08128	1.0
85.02903	3.6
85.06525	0.7
87.00804	1.9
87.37653	0.4
91.05464	8.1
93.07022	4.9
95.04963	5.5
95.08612	2.9
97.02332	0.5
97.02899	1.8
97.06549	1.0
98.97637	0.4
99.57692	0.5
103.05447	0.7
105.01859	1.4
105.07022	9.9
107.04937	3.7
107.08585	17.9
109.02872	2.2
109.06515	3.4
109.10139	8.2
110.07157	1.0
111.04443	0.7
111.08064	0.7
115.05437	1.7
117.06988	2.1
118.07816	0.6
119.06025	0.5
119.08578	4.9
121.06514	2.2
121.10133	13.1
122.07282	6.8
123.08062	1.2
125.09584	0.5
127.03892	3.6
129.01834	0.4
129.07042	0.5
129.10240	0.5
131.08525	3.1
133.10117	100.0
134.10413	1.9
135.04439	0.7
135.08037	6.6
135.11676	1.6
137.05983	1.2
137.09602	54.4
138.09990	1.1
143.08571	1.0
145.04915	0.6
145.10075	2.3
147.02890	0.5
147.08037	1.2
147.11656	2.7
149.09607	7.8
149.13235	9.3
151.11180	0.6
157.10141	0.7
158.10922	1.3
159.08043	0.4
159.11697	0.9
161.09644	0.8
161.13225	1.1
163.03883	0.5
163.11221	0.6
163.14786	2.5
165.09129	1.3
171.11717	1.0
173.09520	0.6
173.13232	5.6
175.14848	0.5
177.12787	0.6
187.11115	0.9
187.14804	0.8
189.12756	1.3
191.14290	35.8
192.14601	0.8
198.14951	0.6
201.12770	1.4
203.14340	0.7
215.14223	0.6
231.04961	0.8
231.13670	0.8
233.15329	0.8
245.15320	1.1
271.17249	0.5
317.17307	0.7
335.18475	1.0
336.07416	0.4
353.19580	0.7
377.19424	0.7
380.94135	0.4
421.18448	0.9
439.19458	1.6
440.30060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
53.39953	0.7
55.01856	2.3
55.05512	0.9
57.03426	1.5
57.07064	1.1
59.05001	1.4
61.02914	1.8
61.32843	0.6
63.20829	0.6
67.05486	1.2
68.99762	0.8
69.03430	6.6
69.07063	4.3
69.57128	4.9
71.04993	0.8
71.08628	51.1
73.02909	2.4
77.97260	0.8
81.03410	8.0
81.07038	1.4
85.02900	19.6
86.46960	0.6
87.00819	7.5
95.08587	1.2
97.02879	9.5
98.30485	0.7
99.04452	2.8
99.08086	100.0
100.08392	1.2
102.76416	0.7
105.01871	5.8
109.02859	6.0
111.11664	0.9
117.01833	1.1
117.09175	0.7
127.03906	10.5
129.12737	13.1
131.49179	0.6
133.10057	0.7
145.04950	3.0
155.14343	1.4
157.40004	0.8
159.02910	3.9
173.15369	60.1
231.04993	1.5
313.06360	1.1
371.06967	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	439.1421
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
60.92509	0.3
66.16448	0.3
69.61537	0.3
70.06599	1.6
70.95897	0.5
70.96219	0.5
74.56944	0.3
82.38537	0.3
84.08139	0.5
96.92234	6.7
98.97594	0.5
106.63536	0.4
109.91002	0.3
112.41846	0.3
115.02399	0.5
133.03464	2.5
137.35443	0.3
149.01230	0.4
151.04472	0.4
161.02933	0.4
173.88434	0.3
175.04576	1.1
180.97488	0.6
187.04626	0.6
189.06068	0.6
201.06136	0.9
203.05380	0.5
211.04596	0.7
213.12396	0.8
217.05629	0.8
223.48112	0.3
277.08939	25.2
295.08865	2.1
303.09293	0.5
336.41510	0.3
347.09393	0.4
365.10587	3.3
375.45932	0.4
381.08035	0.7
439.14218	100.0
440.14621	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	436.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.0
55.05513	13.7
56.05027	4.4
57.07063	6.3
58.99573	13.1
60.04506	2.9
62.99074	10.3
67.05500	11.5
69.03422	1.7
69.07064	100.0
70.02943	3.7
70.06590	6.4
70.31112	1.3
71.59486	2.7
72.08146	3.7
73.01131	1.6
74.00663	19.8
74.02414	1.9
76.02213	6.5
76.03991	6.3
77.00625	2.8
78.03786	1.5
79.05487	4.4
81.03391	1.8
81.07052	3.7
83.06084	5.9
83.08624	3.7
84.04497	51.1
84.08120	3.5
85.04017	3.4
86.09700	4.5
86.99043	9.6
87.02684	46.4
88.02198	11.5
89.00656	2.3
91.05470	2.9
92.01678	2.5
93.07036	5.8
94.24026	1.4
97.10147	1.8
99.02699	3.5
99.05544	2.0
101.04219	7.4
107.08540	3.4
109.10168	8.0
111.11706	17.3
112.03956	16.2
113.03452	2.0
113.04228	2.1
116.00452	2.0
116.01669	45.4
119.08560	2.2
120.08128	2.1
121.06503	1.6
127.03950	1.9
129.06593	14.6
130.04022	3.3
130.04991	63.7
135.11647	5.1
142.03197	1.8
143.08893	23.5
144.01141	18.0
145.06071	11.7
151.32092	1.6
158.72653	1.8
159.08376	20.5
161.09949	29.5
162.02191	96.1
162.10399	2.0
169.10483	10.8
174.02145	2.0
177.03241	9.6
186.13126	13.1
187.11520	21.8
191.08127	5.8
204.14153	11.9
215.11055	2.7
272.13126	53.4
289.15744	15.6
290.14206	63.8
291.14487	2.4
303.05359	1.6
307.16821	32.1
361.17908	40.1
362.98022	4.6
390.97302	2.2
418.20355	2.7
436.20721	6.6
436.26874	3.2
436.52521	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	436.2328
Annotation	Tongolenine D
Peak:m/z	Relative Intensity
53.03937	0.7
53.29871	0.5
55.01851	1.2
55.05515	2.5
56.96559	0.6
57.07072	0.7
62.17017	0.5
67.05501	3.7
69.03420	1.3
69.07054	3.2
70.73509	1.1
71.04988	1.3
79.05486	4.9
81.03391	1.0
81.07050	8.3
83.04977	4.7
83.08633	1.1
85.02914	1.1
85.06525	1.3
91.05481	4.6
93.07036	10.7
93.93035	0.5
95.04961	3.7
95.08596	4.8
97.02866	1.3
97.06530	4.6
99.04432	1.4
103.05463	6.0
105.07020	8.4
107.04957	1.9
107.08584	6.0
109.06478	3.6
109.10146	2.0
111.08077	5.0
117.07013	0.9
119.04943	0.5
119.08577	4.3
120.08097	100.0
121.06506	8.1
121.08432	1.2
121.10181	0.8
123.04427	0.6
123.08089	1.0
123.11684	2.2
125.05996	3.4
127.07518	1.2
127.84584	0.5
129.07013	1.0
130.71062	0.6
131.04926	1.9
131.08563	1.6
133.06528	0.7
133.10130	3.7
135.04407	0.5
135.08026	3.1
136.07623	0.6
137.05960	1.5
137.13339	0.4
139.07541	3.8
142.07735	1.0
143.07062	2.4
143.08597	1.2
145.06505	0.6
145.10110	1.7
146.06035	1.6
146.07355	0.5
146.89847	0.5
147.08032	0.7
147.11690	8.5
149.05989	1.4
149.13257	1.3
151.11143	1.2
154.50887	0.5
155.05579	0.5
156.09312	0.7
157.08708	1.2
157.10156	2.5
157.17722	0.5
159.06598	1.1
159.07982	0.9
161.13251	1.3
165.12744	2.4
166.08630	27.7
169.12193	3.8
171.11664	2.8
173.13315	1.0
175.11159	6.4
189.12709	4.3
190.08525	0.6
191.14317	0.7
193.12234	6.7
194.16277	0.6
199.11206	2.2
207.13863	1.4
211.13301	3.9
215.07582	0.6
216.13846	0.9
217.12250	7.8
229.14308	1.2
235.13283	5.0
252.15918	1.2
253.14435	2.8
262.14490	1.3
270.16962	1.9
312.19647	0.9
328.22726	1.2
330.20627	2.0
336.19580	5.0
354.20584	9.4
355.21002	0.8
358.20010	0.8
372.21674	12.5
374.23575	0.7
376.20944	1.2
382.20203	1.5
390.22833	2.0
400.21207	2.2
418.21994	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	436.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
55.05506	4.5
56.05031	65.2
57.03430	2.1
59.05002	1.0
61.01149	2.3
65.00640	2.3
67.05504	5.7
68.05016	1.7
69.03423	3.4
69.07073	4.3
70.06584	10.8
71.04990	3.1
71.05808	2.2
72.08151	4.4
74.02435	92.2
74.06073	8.0
75.02699	32.4
79.05493	7.2
81.03400	2.7
81.07056	13.4
83.01305	0.9
83.04974	6.8
83.08610	1.3
84.04507	2.8
84.08131	6.1
85.02905	3.9
85.06516	2.5
85.68594	0.8
86.09694	6.9
91.05473	6.5
93.07034	18.6
95.04959	6.5
95.08594	7.8
96.04507	1.2
96.08153	0.8
97.02895	2.6
97.06527	7.4
98.06051	17.8
98.37329	0.9
99.04444	2.8
100.03979	3.7
102.05540	17.6
105.07021	14.2
106.02913	2.4
107.04954	3.2
107.08590	10.1
108.08132	1.9
109.02943	0.8
109.06496	4.5
109.10161	2.1
110.06025	2.1
110.07156	2.5
111.04379	1.3
111.08063	9.5
113.06012	1.2
115.05476	0.9
117.06995	1.0
119.08557	6.0
120.04803	1.2
120.08104	2.5
121.03235	1.3
121.06509	8.7
121.10138	2.1
122.05994	0.9
123.04439	1.0
123.08046	2.8
123.11711	3.2
124.03915	7.1
125.05953	4.6
127.03917	2.5
127.07580	1.1
129.06918	1.0
129.10251	2.5
131.01619	5.8
131.08531	1.2
133.06418	1.1
133.10126	9.2
135.08072	3.8
136.07562	2.2
137.05995	1.9
137.09550	1.6
138.09138	4.1
139.07549	2.9
142.07678	1.2
143.07018	2.5
143.08618	1.3
144.06548	7.8
145.10149	2.1
147.07985	1.1
147.11678	10.4
148.04309	3.8
149.02669	25.8
149.03830	1.7
149.09619	1.1
149.13225	1.6
150.09135	1.0
151.07504	1.2
151.11177	2.1
152.05669	2.1
156.06560	1.4
156.09271	1.0
157.10146	2.6
159.06554	1.0
161.13223	2.4
162.05688	1.1
165.12764	3.6
166.05327	100.0
167.05566	1.1
167.06955	1.0
169.12222	6.0
171.11676	2.5
173.09578	1.4
175.11159	7.0
181.04956	2.2
182.05305	1.3
182.08157	1.2
183.08946	2.1
184.09679	7.7
189.12712	5.1
190.05283	6.7
191.14204	1.2
193.12184	6.1
198.11264	1.8
199.11131	2.7
207.13835	3.1
208.09668	1.6
211.13297	4.7
217.12216	10.3
219.60716	0.8
229.14410	1.0
234.08562	1.3
235.13295	4.5
240.08916	1.2
246.18414	1.1
248.09596	3.1
250.07065	2.1
253.14299	3.3
264.19611	1.5
268.08029	1.1
270.16910	1.7
272.16467	2.3
274.10724	1.7
285.08655	1.4
290.17471	10.4
292.19098	6.2
294.16916	4.1
297.12369	1.0
300.15942	0.9
308.18542	18.6
310.20114	4.9
315.13306	1.0
318.16995	5.2
326.19641	3.5
336.18124	9.8
354.19110	29.5
356.19043	1.5
358.16849	2.1
372.20126	23.7
374.19955	1.3
376.17813	1.8
382.16910	6.6
400.17911	10.8
418.19040	9.0
436.14554	4.0
436.20013	2.8
452.80914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.6
51.02371	0.7
53.03942	1.8
53.25338	0.3
54.01406	0.3
55.01867	0.6
55.05503	0.5
55.43082	0.3
56.25795	0.3
56.96555	0.4
57.03429	1.7
60.04496	0.3
61.02903	0.4
65.03925	0.4
67.05497	0.9
69.03426	7.6
69.07063	0.4
69.73411	1.1
69.73820	0.6
70.06588	3.7
71.01339	0.4
71.04991	1.1
72.08144	1.2
72.85624	0.3
73.02905	1.0
74.06079	0.4
74.07377	0.3
78.03449	13.9
79.05489	0.6
80.05020	3.2
81.03413	14.9
81.07039	0.4
83.04964	0.4
84.04507	0.5
84.08134	1.9
85.02902	8.8
85.03428	0.5
86.06052	0.3
86.09711	2.0
87.04458	0.4
91.05457	1.0
93.07041	0.5
93.14938	0.3
95.04968	1.6
96.04494	7.6
97.02889	4.3
99.04452	2.8
103.03976	0.3
105.07030	0.4
106.02910	62.7
107.03240	1.1
107.04964	1.0
109.02871	10.5
109.06507	0.3
110.07147	0.6
111.04481	0.3
112.02183	0.4
115.08702	0.3
116.07090	0.4
119.04884	0.6
120.08107	0.8
121.02895	0.4
121.06500	1.2
122.06816	0.6
123.04426	5.4
124.03945	100.0
125.04239	1.3
125.05840	0.3
127.03904	6.2
129.10233	0.8
130.03200	0.3
131.05066	0.3
133.10062	0.3
136.07553	0.5
139.40111	0.3
145.04933	0.7
146.03120	0.3
147.04385	0.7
151.03886	2.2
151.07518	0.6
152.05688	0.3
152.07976	0.3
154.81544	0.3
161.05978	0.4
164.07066	1.4
165.05478	0.3
165.07391	0.5
166.05029	1.4
172.08722	0.6
177.05463	0.5
183.14879	0.3
185.68022	0.3
196.06076	0.9
208.06004	0.5
216.07733	0.6
232.06003	1.2
243.08801	1.7
244.09453	0.3
250.07097	24.4
250.86632	0.3
251.07367	0.7
252.09317	0.4
260.09134	0.3
268.08145	32.6
269.08499	0.9
377.14395	2.1
390.12122	0.5
418.11273	8.2
419.11703	0.3
436.12347	18.5
437.12625	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	436.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.2
51.02379	0.4
52.03155	0.2
53.00305	0.2
53.03936	0.8
54.11192	0.2
55.01859	0.9
55.05529	0.2
56.05034	0.2
57.03425	0.3
65.03934	2.8
67.05496	1.4
69.03428	1.6
69.07068	0.3
70.06589	1.9
71.01321	0.2
71.04987	0.2
71.59233	0.3
72.08141	0.7
73.02940	0.2
74.06046	0.2
78.03450	3.4
78.77993	0.2
80.05009	0.6
81.03412	3.7
81.07066	0.2
84.08149	0.9
85.02897	2.0
85.75893	0.2
86.09708	1.4
91.05476	0.4
93.03388	0.9
93.45290	0.2
95.04971	1.3
95.08572	0.2
96.04488	1.3
97.02882	1.2
98.97523	0.3
99.04449	0.7
105.04490	0.2
105.07013	0.3
106.02910	11.5
107.03255	0.2
107.08624	0.2
108.02080	1.5
109.02869	3.1
110.03669	0.3
110.07146	0.4
111.04428	3.5
112.01550	0.3
112.04717	0.2
113.07143	0.2
120.08096	0.7
124.03945	23.0
125.04325	0.3
125.05981	1.5
127.03889	2.0
129.10220	0.4
136.01535	0.4
136.07556	0.2
141.05469	3.4
151.03893	100.0
151.04947	5.6
152.04236	2.4
152.05597	0.7
166.05026	0.5
169.04958	1.1
181.60587	0.2
203.13808	0.2
232.06015	0.3
235.99644	0.2
243.08870	0.3
250.07079	4.9
251.07474	0.2
268.08145	6.4
269.08505	0.2
315.13159	0.2
323.74985	0.2
400.10300	1.5
418.11273	2.0
436.12494	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	435.0923
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.03915	0.2
55.01877	0.3
57.03422	0.5
61.02914	1.3
65.03915	0.3
67.05476	0.2
68.99780	0.7
69.03419	0.4
69.07070	0.4
70.06575	0.9
70.06998	1.3
70.56902	0.2
71.01333	0.5
72.08154	0.6
73.02914	12.5
75.08622	0.3
79.05489	0.4
81.03416	0.6
83.24089	0.2
84.08128	0.4
85.02897	0.5
86.09691	0.5
91.05475	0.3
93.03397	0.3
95.04965	0.3
97.02866	0.5
98.20826	0.4
109.02858	0.5
111.00790	0.9
115.03909	0.8
121.02853	1.1
123.04432	0.4
127.03912	0.4
137.02338	3.6
149.02367	0.6
153.01808	3.8
163.03937	0.6
165.01839	2.1
166.02534	0.4
167.07002	0.4
173.05899	0.4
181.04935	0.6
183.02962	0.7
187.03906	0.3
201.05435	2.0
211.03888	0.4
229.04927	4.4
233.08128	0.3
239.03337	0.3
247.06039	0.8
257.04459	2.8
274.04739	0.9
285.03891	1.3
303.04977	100.0
304.05316	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	435.1647
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03941	1.8
55.05503	0.9
59.04977	0.9
61.02905	0.8
65.03939	6.1
67.05502	4.6
68.99783	0.9
69.03419	4.1
69.07069	2.2
70.06577	2.8
71.04990	1.1
71.13490	2.2
72.08154	2.3
78.04691	0.9
79.05489	8.4
81.03407	5.4
81.07046	2.7
82.04193	2.3
83.04978	0.9
84.08158	1.5
85.02894	5.5
85.06532	1.2
86.09698	1.3
87.28059	0.8
91.05489	4.2
93.07056	1.6
94.27356	1.0
95.04964	6.7
95.08602	2.1
97.02893	1.9
97.06517	4.5
103.05470	1.4
105.07038	2.8
107.04956	17.1
107.08596	1.0
107.58844	0.8
108.02113	1.2
109.02885	1.1
109.06470	1.1
109.10161	1.1
110.03659	2.4
111.04462	1.6
115.05438	4.0
116.06244	1.3
116.10449	0.7
117.07021	4.5
119.04940	0.9
119.08575	1.5
121.06496	1.3
121.10140	1.0
123.04445	4.0
124.05203	3.5
125.05968	5.0
127.03949	4.5
129.07004	3.1
131.04938	2.7
131.08545	2.9
133.06465	1.7
133.10086	1.1
137.05963	2.0
137.09589	1.2
138.03110	2.3
141.07016	1.6
142.02597	2.5
143.04915	0.9
143.08546	0.8
144.05679	3.4
145.06473	9.5
147.04437	2.1
147.08009	1.3
152.04617	1.0
153.05499	1.6
154.13361	0.9
157.06477	3.7
159.08072	3.6
160.08810	0.9
161.05965	5.1
163.03929	1.0
166.02690	1.0
167.07028	47.3
171.06538	6.2
172.05179	10.5
173.05946	5.3
175.03827	0.9
175.07552	3.4
177.05450	1.3
177.09102	1.3
179.07147	1.0
181.04951	100.0
183.06436	0.9
187.07556	7.2
189.05460	2.3
190.06174	2.3
191.06920	1.0
191.10693	3.2
195.06451	2.1
200.04689	3.5
201.05470	6.2
205.08617	3.6
206.05750	3.0
207.06381	1.2
217.08580	2.0
218.05731	7.4
219.10104	5.3
221.08043	6.3
233.08073	60.7
235.07487	1.0
235.09683	1.5
242.12158	0.9
245.08096	2.8
251.09143	3.7
263.06598	1.1
263.09161	11.7
264.07944	0.9
279.09918	0.9
293.08182	1.3
295.09637	0.9
307.09546	2.2
309.07645	1.2
323.09097	1.3
331.07800	0.9
335.09229	1.2
337.10666	1.1
339.12177	1.7
355.11725	2.3
357.13376	1.1
367.11749	2.9
371.15152	1.7
381.13254	1.6
387.14389	9.4
399.14285	5.1
400.14719	0.9
417.15408	28.1
435.14255	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	434.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01858	2.4
55.05511	2.9
56.96542	0.7
57.03406	0.8
57.88528	0.5
59.16932	0.6
61.02951	0.5
61.68429	0.5
63.18830	0.5
65.03904	1.0
67.05495	5.8
69.03414	1.2
69.07059	5.2
69.30215	6.6
71.04967	1.8
72.01141	0.6
79.05055	0.7
79.05484	10.2
81.03445	0.7
81.07047	14.0
83.04983	8.4
83.08600	2.1
85.02901	1.0
85.06538	1.5
91.05476	23.4
93.07037	16.7
95.04967	10.1
95.08595	6.6
97.02888	0.7
97.06522	9.9
98.06058	1.3
99.04402	0.7
103.05468	0.9
105.07013	15.6
107.04955	5.0
107.08590	10.6
107.68279	0.6
109.06517	8.1
109.10136	5.4
111.08077	3.4
115.05454	0.9
117.07001	1.9
118.06505	0.9
119.04934	20.0
119.08575	9.2
120.08080	0.9
121.06498	15.8
121.10113	2.3
123.04421	16.9
123.08047	2.4
125.05977	4.9
127.07595	2.6
129.06961	1.3
130.07683	0.6
131.08557	2.5
133.06485	1.3
133.10121	4.9
135.04462	1.0
135.08051	5.2
135.11653	0.6
136.07567	100.0
137.05959	2.2
137.07930	1.4
137.09622	1.6
137.13174	0.7
139.07527	6.3
142.07779	1.7
143.07066	3.9
143.08531	2.4
145.10107	3.5
147.04404	8.9
147.08090	1.4
147.11678	15.0
147.12787	1.2
149.05983	0.7
149.13248	2.4
156.09372	0.9
157.08611	2.1
157.10130	4.7
159.08015	1.2
161.13255	2.2
162.05502	0.8
163.03925	0.9
163.11203	0.7
163.14804	1.7
165.05466	29.7
165.09169	0.7
165.12735	4.7
171.11673	4.8
173.09633	1.0
173.13264	1.5
175.11168	8.4
177.05478	1.3
182.08115	47.2
183.08409	1.4
189.12703	7.2
191.10649	0.7
191.14308	2.1
193.12231	6.6
199.11142	4.5
207.13849	1.9
209.15303	1.2
211.13275	0.6
216.10374	0.6
217.12225	12.3
232.13312	1.1
235.13225	3.7
246.14873	1.0
253.14346	1.5
260.10068	1.0
272.18637	1.3
278.13931	3.7
283.18613	0.6
292.15372	1.0
316.15451	1.0
326.21085	1.0
328.19064	1.3
344.22177	8.4
346.20126	1.3
352.19009	7.8
360.22491	0.7
370.20090	13.2
372.21722	1.2
374.19635	2.0
380.18137	0.7
388.21121	12.5
390.22791	3.7
398.19421	3.5
416.20670	4.4
434.21616	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	434.2175
Annotation	1-Hydroxyprotostemonine
Peak:m/z	Relative Intensity
51.02378	0.3
53.03946	0.9
55.01883	1.7
55.05511	2.2
57.03426	0.8
61.02896	0.6
65.03937	1.2
67.05505	6.4
69.03415	1.2
69.07071	4.8
70.06583	0.9
71.04981	1.3
72.08154	0.8
79.05490	9.0
81.03415	0.7
81.07059	13.6
83.04978	4.8
83.08606	1.7
84.04537	0.4
84.08138	0.4
85.02920	0.6
85.06533	2.2
86.09692	0.6
91.05480	22.8
93.07044	17.8
94.07330	0.4
95.04969	9.8
95.08596	5.2
97.02855	0.5
97.06527	8.5
98.06034	1.0
99.04440	1.0
99.08086	0.5
103.05471	0.7
105.07026	13.3
107.04950	4.8
107.07869	0.5
107.08593	9.4
108.08145	0.4
109.06518	7.8
109.10155	7.4
111.08071	3.5
117.07022	1.2
118.06544	0.6
119.04942	19.8
119.08582	8.5
120.04448	0.3
120.05268	0.6
120.08109	0.5
121.06507	15.7
121.10136	2.2
123.04428	17.8
123.08064	3.3
123.11669	0.9
125.05988	4.4
127.07559	1.7
128.06218	0.7
129.07005	1.7
130.07819	0.3
131.08578	2.8
133.06497	1.5
133.10132	3.6
135.04414	1.2
135.08057	4.6
135.11682	1.2
136.07578	100.0
137.05981	1.3
137.07912	1.5
137.09572	2.0
137.13213	0.7
139.07535	8.1
139.08607	0.5
141.05440	0.5
141.06963	0.5
142.07808	1.6
142.14096	0.4
143.07057	1.5
143.08559	2.5
144.62230	0.4
145.06523	0.4
145.10147	3.2
147.04402	8.4
147.08031	2.0
147.11687	15.4
148.12141	0.4
148.90588	0.4
149.13261	5.2
155.08562	0.5
156.09348	1.1
157.06566	0.6
157.08611	2.8
157.10135	3.6
158.10895	0.4
159.08168	0.4
159.11674	0.6
160.08864	0.4
161.09688	0.7
161.13228	2.4
162.05530	1.0
163.11154	0.6
163.14832	2.1
165.05478	32.8
165.12741	5.0
166.05849	0.7
167.14169	0.4
171.07996	0.6
171.11685	3.1
173.09637	1.3
173.13286	1.9
175.11174	6.5
181.04889	0.4
182.08128	45.9
183.08420	0.8
184.08894	0.6
189.12749	5.7
191.14307	3.8
193.12254	3.9
199.11232	3.3
207.13837	1.3
209.15295	2.3
211.13260	0.5
216.10303	0.5
217.12238	9.4
218.11902	0.5
220.71278	0.4
229.36726	0.4
232.13359	2.0
235.13257	2.4
242.11497	0.4
253.14413	1.5
270.14795	0.8
278.13861	7.0
292.15564	0.6
292.19220	0.4
300.19608	0.6
302.13861	0.4
316.15265	0.5
326.21127	1.2
328.19049	0.8
331.13736	0.4
344.22189	16.3
345.22534	0.5
346.20175	2.1
352.19046	5.3
353.19736	0.4
370.20105	11.1
372.21808	1.0
374.19638	1.1
388.21188	14.9
389.21527	0.4
390.22763	7.6
391.23303	0.5
398.19720	2.9
416.15527	0.7
416.20605	6.6
416.25739	0.5
417.20868	0.7
434.21637	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	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92171	2.0
53.03936	3.3
55.01858	3.7
55.05507	8.6
55.93515	2.2
56.05029	8.9
56.96553	2.9
57.03419	6.1
58.06592	7.4
60.04509	3.3
61.02914	2.8
61.23625	2.1
64.91032	1.8
67.05505	6.5
69.03430	19.9
69.07059	5.0
69.65269	10.6
70.06590	31.2
71.04992	11.7
72.08154	20.0
72.93788	5.8
73.02924	3.5
74.06065	4.4
79.05476	5.4
81.03407	12.6
81.07053	12.8
82.06575	2.6
83.04965	4.9
83.08641	2.7
84.04491	7.3
84.08135	13.0
85.02908	40.1
85.06533	7.4
86.06059	10.8
86.09703	33.8
87.04480	3.0
87.05595	2.2
87.10027	5.8
88.03981	2.4
90.94836	3.5
91.05477	19.9
93.07044	9.0
95.04964	8.6
95.08616	19.2
97.02902	13.9
97.06531	8.2
98.97576	2.5
99.04452	56.7
102.05527	3.6
103.05461	3.9
104.05323	3.5
105.07035	8.8
107.04937	6.7
107.08588	7.4
109.02883	8.2
109.06494	10.8
109.10148	4.0
110.07176	5.1
111.04451	3.7
112.07630	2.2
113.06004	2.2
113.07147	7.0
116.07097	4.6
116.98581	2.5
119.04929	33.1
119.08586	24.8
120.08119	11.2
121.06525	5.0
121.10152	3.9
123.04484	2.8
123.08073	39.1
123.11684	23.5
127.03922	33.2
127.04873	1.7
128.04240	11.7
129.06941	2.2
129.10225	7.2
130.08632	7.3
131.04938	5.4
131.08534	2.1
132.95787	3.3
133.06471	4.0
133.10159	3.0
134.99690	2.6
135.08046	38.3
136.07571	3.1
137.06007	4.1
139.07547	4.7
140.07068	2.4
145.04971	5.9
145.10114	6.0
147.04401	100.0
147.11703	4.0
148.04782	8.4
149.09622	18.0
151.07529	33.3
151.08641	3.1
151.11206	4.8
152.96414	2.2
155.07019	7.0
156.06544	2.0
158.97446	2.0
159.08069	2.1
161.05981	2.2
162.02313	2.0
163.07553	3.4
163.11241	4.7
165.05424	2.5
165.12791	9.6
166.08583	3.4
168.13838	2.7
173.09560	14.7
175.11201	6.3
177.09070	10.2
179.06984	19.0
181.05002	2.5
186.14905	12.5
189.06874	4.6
191.10663	30.5
193.12241	21.3
194.12766	1.8
199.00439	2.4
202.98012	1.9
208.00586	2.1
209.11670	4.7
217.01628	2.2
218.97400	6.1
219.10062	13.5
221.63980	2.2
227.11325	2.0
234.99014	2.5
236.98495	4.8
237.11214	75.6
243.99477	2.0
254.05623	2.3
255.03223	8.9
255.12315	24.5
273.04218	7.8
287.09909	2.7
295.02887	3.0
303.08633	4.9
319.02594	2.2
329.01172	3.5
347.01978	3.8
349.00000	3.0
357.00397	5.6
365.02942	3.0
375.01617	6.1
393.02493	5.5
411.03622	3.4
433.36053	2.3
434.14401	3.5
434.20380	4.2
434.27975	7.6
435.09088	2.3
435.18079	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	434.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
56.05027	0.7
56.96542	0.8
58.99579	0.8
60.04524	0.9
66.53843	0.5
67.05484	2.1
68.76221	0.4
69.03415	2.1
69.07039	0.4
70.06247	0.5
70.06586	5.2
70.20455	2.0
71.05004	0.5
72.08146	3.1
74.06075	0.8
76.02206	1.1
81.03403	1.0
84.04477	1.4
84.08147	3.4
85.02895	5.1
86.09708	2.5
91.05463	1.7
93.07048	0.5
95.04938	1.1
95.08596	4.4
97.02874	2.3
100.02201	1.6
103.05430	0.6
105.00072	0.7
105.07014	0.9
105.67178	0.5
106.02859	0.6
109.02854	1.0
110.07159	1.6
119.04935	2.4
120.08086	0.5
122.02725	7.3
123.08047	6.5
127.03897	7.9
128.04228	3.5
129.10222	2.0
130.08621	0.5
136.07559	0.7
145.04903	0.8
146.02678	1.2
147.03230	0.6
147.04395	8.8
151.07526	100.0
152.07886	1.3
158.97253	0.6
164.03780	0.9
177.00578	0.6
180.34273	0.5
211.12675	0.4
218.97447	1.2
248.05931	0.6
260.98322	0.6
272.09427	5.0
284.07974	6.5
284.27283	0.5
387.49695	0.5
405.14844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61626	1.1
53.03928	4.5
55.01870	9.9
55.05507	31.0
56.96564	1.5
57.03437	9.1
58.80799	0.9
61.30335	0.9
65.03929	2.5
67.05499	36.6
69.03416	5.1
69.07050	13.1
69.36506	9.1
71.04978	3.7
76.24990	0.9
77.03908	1.7
77.82065	1.1
79.05486	47.8
81.03419	8.3
81.07048	33.3
82.56649	1.2
83.04977	6.2
83.08611	18.8
85.02883	3.2
85.06520	1.9
85.10136	1.0
91.05468	38.8
93.07034	34.7
95.04961	33.5
95.08598	18.2
97.02908	2.3
97.06522	9.3
97.10158	21.2
98.20730	1.5
99.08076	2.3
103.05461	3.7
105.03394	1.9
105.07022	28.8
107.04953	17.7
107.08586	25.1
109.02872	2.2
109.06493	6.8
109.10139	9.5
110.07165	1.6
111.04425	2.2
111.08047	5.0
115.05432	4.0
117.07017	20.6
119.04899	3.0
119.08563	16.9
121.06488	17.8
121.10126	17.7
123.04418	1.4
123.08057	6.7
123.11675	3.5
125.05974	1.4
125.09612	18.4
128.06210	4.8
129.05470	3.1
129.06999	24.3
130.07773	1.6
131.04909	12.2
131.08551	22.6
133.06502	7.2
133.10117	10.4
135.04393	1.6
135.08038	9.3
135.11702	4.3
137.09592	4.6
141.06987	8.9
142.07726	1.9
143.08540	14.1
145.06483	22.6
145.10086	12.0
147.04416	3.1
147.08035	8.1
147.11658	5.8
149.05930	2.3
149.09607	22.3
153.07005	2.4
153.09140	1.3
154.07698	2.4
155.08560	7.9
157.06487	4.0
157.10117	9.1
159.08022	8.9
159.11687	10.2
161.05989	2.5
161.09608	5.8
161.13252	4.1
163.03883	2.2
163.11186	5.8
165.07002	2.2
165.09109	20.3
167.08549	4.2
169.06403	1.2
169.10126	11.1
170.07301	1.2
171.08055	5.5
171.10257	1.7
171.11639	18.2
173.09596	9.7
173.13275	3.1
175.07545	1.5
175.11185	3.3
177.12759	3.3
179.08490	2.8
181.10129	4.7
183.08012	3.2
183.11688	4.6
185.09631	4.9
185.13252	4.9
187.11154	7.4
189.09140	4.4
189.11188	10.2
189.12752	16.8
189.16371	1.4
193.10251	2.1
193.12186	3.1
195.08162	1.5
195.11688	3.4
197.09662	5.9
197.11412	1.2
197.13297	3.9
199.11145	3.7
199.14806	2.1
201.12717	3.6
203.10696	1.9
205.12172	6.3
207.11766	2.1
207.13734	1.5
209.13194	2.4
211.11240	6.2
211.12958	1.4
212.12021	1.2
213.12650	2.5
213.16373	1.7
215.10449	2.3
215.14159	1.4
217.12238	2.6
221.13312	1.6
223.11305	1.5
223.13280	4.5
225.12756	3.9
227.10841	1.5
227.12733	4.7
227.14557	1.7
229.12227	4.4
231.13756	2.4
239.14305	1.6
243.13695	3.5
245.13474	1.5
247.13290	1.4
249.14833	3.3
257.15384	4.1
259.09644	2.2
261.14569	1.7
267.15927	3.7
273.14813	2.1
277.19412	1.7
295.20343	2.2
299.19830	1.4
305.19077	1.8
313.21518	5.0
318.28976	1.2
323.20050	21.9
341.21078	100.0
342.21429	3.3
359.22147	8.5
377.22955	1.6
379.22433	2.2
397.23480	2.7
415.24792	35.1
433.25824	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01868	9.3
55.05264	2.4
55.05506	30.5
57.03432	8.3
59.67308	1.0
65.03919	2.0
67.05499	37.2
69.03416	3.9
69.07062	11.9
69.81677	3.1
69.82109	4.9
71.04978	4.1
79.05489	46.5
81.03425	7.8
81.03830	1.3
81.06575	1.8
81.07051	29.9
81.58852	1.2
83.04979	6.4
83.08618	13.6
85.02875	2.5
85.06524	2.0
91.05470	41.0
93.06464	1.9
93.07031	30.2
95.04356	1.9
95.04961	34.3
95.08607	15.2
97.06515	5.3
97.10162	23.0
103.05447	4.1
105.07019	25.2
107.04948	16.0
107.08592	19.2
109.02834	1.2
109.06506	6.4
109.10165	8.9
109.55399	1.1
111.08052	3.4
115.05440	4.4
116.06175	1.2
117.07009	17.9
117.99913	1.4
119.04938	3.6
119.08563	12.6
121.06496	18.9
121.10123	14.9
123.04427	1.4
123.08072	6.9
123.11709	1.2
125.09613	16.7
128.06218	7.1
129.05467	2.4
129.06993	25.3
130.07819	1.8
131.04921	10.4
131.08565	28.1
133.06490	9.9
133.10109	8.1
135.04428	1.8
135.08026	9.7
135.11682	3.2
137.09581	1.9
141.06956	10.1
142.07713	1.9
143.08528	13.5
145.06467	21.8
145.10106	14.7
147.08043	10.0
147.11673	3.0
149.05901	1.3
149.09613	18.5
153.06996	1.4
153.09105	2.2
154.07782	2.2
155.08580	9.4
157.06534	2.8
157.10065	6.9
159.08031	9.0
159.11693	7.9
161.05908	1.3
161.09587	5.3
161.13295	2.7
163.11179	4.8
166.07761	1.3
167.08569	4.3
168.09311	1.4
169.10139	12.1
171.08057	4.3
171.10217	2.3
171.11653	17.0
173.09567	6.4
173.11778	1.4
173.13239	1.8
175.11157	3.6
177.12755	2.5
179.08603	1.2
181.10141	3.0
183.08080	2.5
183.11693	5.6
185.09601	5.1
185.13297	4.2
187.11162	10.9
189.09201	4.0
189.11191	12.9
189.12753	13.6
193.10133	2.1
193.12256	2.1
195.11696	4.1
197.09604	4.8
197.13258	3.4
199.11166	4.7
201.12735	3.3
203.10626	3.0
203.14336	1.7
205.12227	7.8
209.13217	1.5
211.11201	6.9
212.11980	1.9
213.12708	3.5
215.10698	3.6
215.14313	1.6
221.13295	1.6
223.13162	5.9
225.12732	4.0
227.12796	5.0
229.12239	4.9
231.13721	2.5
239.14346	2.3
243.13832	5.3
247.13333	1.8
249.14787	2.5
257.15341	2.8
261.14905	1.7
267.15878	4.0
273.14999	3.0
277.19351	1.6
295.20584	2.7
313.21503	6.4
323.20050	25.0
341.21088	100.0
342.21475	2.3
359.22025	9.0
377.23001	1.6
397.23865	2.8
415.24777	34.2
433.25824	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.6
55.01860	16.2
55.05502	56.5
56.96559	12.8
57.03423	13.9
57.07047	6.5
58.10994	5.0
59.04990	5.0
61.02917	8.6
62.76938	4.7
65.03905	6.5
67.05495	71.3
69.03416	43.9
69.07062	47.2
70.06567	12.8
71.04978	21.6
71.21200	9.5
72.08118	8.1
72.93830	5.1
74.88447	4.9
78.76742	5.4
79.05489	87.7
81.03409	49.4
81.07051	100.0
83.04982	32.4
83.08605	34.3
85.02898	41.5
85.06512	14.2
86.09679	7.5
91.05472	77.0
93.07030	93.7
95.04961	68.0
95.08592	87.3
96.05317	6.0
97.02869	40.2
97.06516	97.3
97.10170	32.2
99.04437	26.5
105.07013	84.1
107.04940	22.4
107.08580	63.3
109.02857	26.0
109.06500	42.8
109.10180	33.0
111.04391	10.3
111.08067	37.0
113.06023	7.0
115.05439	6.1
116.98545	6.6
117.03338	13.1
117.06998	26.5
119.04906	18.6
119.08562	39.6
120.08117	6.2
121.06500	85.9
121.10126	33.9
123.04382	20.4
123.08047	11.6
123.11672	21.1
125.05998	30.2
125.09574	19.5
126.72719	5.8
127.03892	33.3
127.07567	12.2
128.06238	8.7
129.06969	26.9
130.07700	7.7
131.04913	15.7
131.08539	29.7
133.06461	14.6
133.10089	38.2
135.04443	9.2
135.08035	25.9
135.11665	14.1
136.07581	27.7
137.05925	29.0
137.07913	14.6
137.09578	7.6
139.03864	5.1
139.07607	27.1
142.07721	6.8
143.06993	14.0
143.08525	22.4
145.02806	15.6
145.04991	10.2
145.06488	18.6
145.10121	30.2
147.08015	11.0
147.11653	57.6
149.09601	31.8
149.13228	12.0
151.07529	11.1
151.11194	17.5
153.01846	11.4
153.09129	9.8
155.08543	9.7
157.06506	6.2
157.08604	18.8
157.10107	26.3
159.06473	7.8
159.07962	17.0
159.11665	19.5
161.05986	12.6
161.09624	10.1
161.13223	18.1
163.03847	26.2
163.11136	11.5
165.05460	9.0
165.09084	13.4
165.12721	21.4
166.07726	6.8
169.10150	10.6
169.12222	32.7
171.07935	6.3
171.11685	32.3
173.02309	25.7
173.09613	17.1
173.13280	9.5
175.11177	43.0
176.98413	7.1
177.05452	21.3
181.04916	9.8
181.10168	11.0
181.12190	6.8
183.08266	8.3
183.11613	8.7
185.09647	5.2
187.06013	13.6
187.07550	6.8
187.11169	17.7
189.09116	9.2
189.11221	10.1
189.12733	38.7
191.10625	9.0
193.10245	6.4
193.12215	41.0
197.09673	8.2
197.13281	6.9
199.11148	27.9
205.12241	10.1
207.11868	8.0
207.13788	25.4
211.13216	39.0
215.07021	23.9
215.14410	6.8
216.10918	7.7
217.12227	76.6
219.01607	5.9
225.12755	8.0
227.16296	6.7
229.12238	10.8
229.14342	18.1
235.13260	89.4
243.13678	7.1
253.14326	81.4
259.09595	56.1
271.15353	7.9
277.08524	6.6
285.09982	7.3
313.21594	8.4
315.03894	12.4
323.19995	13.0
341.21078	79.0
357.08719	18.8
359.22079	28.8
393.17920	6.2
397.18738	11.5
415.19641	11.4
415.24509	33.1
433.15829	32.5
433.25815	73.5
434.08572	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	433.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.2
55.01866	13.6
55.05508	15.5
57.03433	10.0
57.07060	2.7
59.47992	2.6
61.02938	4.4
65.03932	3.1
67.05499	23.8
69.03426	46.8
69.07065	27.4
69.50698	12.6
69.51125	10.0
70.06585	10.8
71.04985	19.6
72.08165	6.5
73.02923	7.1
76.66771	2.5
79.05501	26.4
80.54649	2.9
81.03414	44.8
81.07050	57.5
81.93916	2.4
83.04978	37.3
83.08614	7.3
84.04483	3.9
84.08141	18.6
85.02906	43.3
85.06548	10.3
86.09718	22.8
87.00830	6.1
91.05463	23.9
92.14848	2.5
93.07039	62.3
95.04974	29.4
95.08600	54.6
97.02888	29.4
97.06531	48.3
99.04453	47.1
105.07030	52.2
107.04936	5.1
107.08590	41.0
109.02872	28.5
109.06519	28.7
109.10159	12.3
111.04453	6.3
111.08084	45.7
113.06007	7.9
119.08575	21.7
120.08109	10.7
121.06499	75.5
121.10143	10.9
123.04417	9.5
123.08064	13.2
123.11679	20.0
125.05975	25.5
125.09655	4.2
127.03919	57.5
127.07565	10.7
129.05554	2.7
129.07021	6.9
129.10240	4.5
130.06516	6.0
131.08554	10.7
133.06487	8.1
133.10120	24.4
135.04488	4.1
135.08041	15.6
136.07614	8.5
137.06009	7.2
139.07545	31.5
141.05463	5.8
141.06992	3.5
141.09100	23.6
142.07787	6.2
143.07039	26.6
143.08530	5.3
145.04971	10.2
145.10158	13.4
147.08035	5.1
147.11681	57.7
149.09659	3.5
149.13266	6.7
151.07538	3.2
151.11186	12.5
153.09090	3.1
156.09341	4.1
157.07497	5.1
157.08601	7.6
157.10141	18.6
159.06508	12.0
161.13274	9.3
163.03979	3.7
163.11111	3.5
163.14906	3.1
164.07144	3.4
165.09146	4.7
165.12764	25.0
167.10680	4.3
167.14313	3.9
169.06474	3.4
169.12233	42.0
171.11696	18.0
173.09618	6.4
175.11188	41.8
181.05028	3.9
181.08614	3.3
181.10114	8.2
183.10233	5.5
185.11726	69.5
187.05972	29.6
189.12744	25.2
191.14268	3.4
193.12230	50.6
195.10205	3.4
197.09740	3.1
199.11194	21.4
205.07051	17.7
207.13786	18.7
209.15295	3.2
211.13272	57.8
215.07002	3.3
217.12219	92.9
222.76964	2.8
225.14795	5.9
229.14302	24.8
235.13286	100.0
241.08560	8.0
243.27405	3.7
247.02313	3.5
253.14354	88.9
259.09671	3.4
271.06018	10.8
271.15350	9.4
287.05472	8.8
302.14999	4.4
347.13730	3.5
379.17502	6.4
386.82053	3.6
397.18527	10.5
415.20016	4.2
433.19885	6.5
457.37704	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	433.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	2.0
53.03930	7.1
53.40569	2.1
55.01856	8.1
55.05505	14.8
56.05034	2.5
57.03431	6.8
60.04505	1.9
61.02914	7.3
65.03940	3.3
66.92522	1.8
67.05499	27.5
69.03423	35.0
69.07058	26.6
70.06590	13.5
71.04979	15.9
71.59535	2.8
72.08144	10.5
73.02900	3.1
79.05483	25.0
81.03412	28.2
81.07050	54.0
83.04973	30.3
83.08604	7.5
84.04522	2.1
84.08133	10.7
85.02901	28.4
85.06517	6.4
86.09699	17.9
91.05458	20.8
93.07034	62.8
95.04955	31.3
95.08598	48.8
97.02891	24.3
97.03994	3.9
97.06522	47.5
99.04440	31.5
100.22638	1.9
103.05501	2.6
105.07023	44.0
105.85148	2.0
106.07369	1.9
107.04926	5.5
107.08597	32.1
109.01641	2.0
109.02879	23.6
109.06499	30.3
109.10162	13.0
110.07119	2.4
111.04415	5.3
111.08072	32.6
113.05986	4.6
113.09614	2.2
115.07558	2.2
116.07059	3.0
117.07022	5.2
119.04941	4.4
119.08563	25.0
120.08096	10.3
120.08824	2.1
121.02802	2.4
121.05643	4.6
121.06498	70.7
121.10107	11.5
123.04417	10.0
123.08041	7.4
123.11689	15.9
124.07610	2.2
125.05984	19.1
127.03902	33.7
127.07545	11.6
129.06964	6.6
129.10268	3.0
130.06483	2.6
131.08563	9.1
132.08081	7.8
133.06450	4.6
133.10121	28.5
135.04424	4.6
135.08035	13.8
135.11655	2.8
136.07494	4.1
137.05978	6.8
137.09605	8.7
139.07523	29.1
141.05466	2.5
142.07750	3.9
143.04483	5.0
143.07025	16.9
143.08540	7.9
144.08096	12.0
145.04921	5.4
145.06509	3.0
145.10106	11.4
147.04427	5.2
147.08057	5.9
147.11682	57.8
148.85425	2.1
149.09595	2.7
149.13234	7.7
151.07507	4.6
151.11148	10.5
153.01848	7.5
153.09106	2.9
156.09319	3.9
157.08586	12.2
157.10114	15.9
158.08347	3.7
159.06508	12.2
159.07829	2.7
159.09164	7.4
159.11670	2.8
161.05946	4.9
161.09543	3.3
161.13248	9.9
163.03896	8.3
163.11102	2.9
165.09044	2.9
165.12708	18.0
167.07045	6.1
167.10649	2.5
169.12227	32.1
171.08038	3.2
171.11642	15.1
173.02377	2.2
173.09641	5.8
173.13269	3.4
175.07440	2.5
175.11165	47.6
179.03377	4.1
181.04927	10.9
181.10107	3.7
187.05972	15.0
189.12735	24.6
191.14301	4.6
193.08557	3.3
193.12216	50.4
197.05974	2.5
199.11124	26.5
205.07053	9.5
207.02834	3.0
207.13762	18.8
211.13278	57.0
213.09152	2.9
215.06955	3.2
217.12213	97.4
221.07999	2.8
225.14935	3.2
229.14359	21.7
235.13275	99.2
241.08583	3.7
253.14325	100.0
255.06543	2.6
259.09503	3.6
271.06024	49.9
271.15277	11.0
273.07480	7.4
274.11780	8.4
283.05875	2.6
284.10248	3.8
289.16409	2.3
301.06970	6.1
325.06857	3.2
371.11304	14.0
379.17523	6.0
397.18622	11.4
403.13873	7.3
415.10068	6.5
415.19403	3.8
433.10406	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	433.1338
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03928	0.8
61.02915	0.5
69.03431	1.7
69.93533	1.1
71.04980	0.5
73.02917	0.5
74.96901	0.2
81.03410	2.8
83.04973	0.2
85.02901	6.1
86.09724	0.2
87.04420	0.3
97.02887	3.4
99.04453	3.9
103.03935	4.5
105.98775	0.2
109.02870	2.8
127.03909	100.0
128.04227	0.7
145.04959	3.4
163.06056	0.8
169.04945	0.3
187.06090	1.1
206.15559	0.2
232.64699	0.2
271.08163	0.5
437.60916	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	433.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.1
55.01870	12.0
55.05510	14.3
56.05017	3.9
56.96557	5.9
57.03434	7.6
57.07071	4.0
61.02925	5.8
65.03921	5.2
66.21535	3.4
67.05495	29.3
69.03420	35.2
69.07059	27.9
70.06574	16.4
70.66383	13.0
71.04971	19.4
72.08148	5.3
79.05493	29.9
81.03402	28.0
81.07056	59.6
83.04975	35.5
83.08600	8.7
84.04501	4.2
84.08135	13.5
85.02888	31.4
85.06544	9.6
86.09707	21.0
91.05449	21.7
93.07024	61.7
95.04955	35.6
95.08594	46.0
97.02888	28.0
97.06510	55.3
98.97570	4.2
99.04443	33.6
103.05438	3.6
105.07014	45.9
107.04936	12.0
107.08585	30.9
109.02853	20.2
109.06495	29.1
109.10155	13.1
111.04436	5.0
111.08066	36.0
113.06001	7.2
116.98634	7.5
117.07069	4.5
119.08582	25.4
120.08121	8.5
121.02847	5.0
121.06494	72.6
121.10139	14.1
123.04436	8.1
123.08057	12.3
123.11720	18.8
125.06005	21.8
127.03914	36.6
127.07571	16.1
129.07002	7.0
131.08546	5.8
132.08075	9.2
133.06514	5.2
133.10107	31.6
133.57289	4.2
135.04425	3.9
135.08041	18.1
135.11598	4.6
137.05962	12.0
137.09612	11.4
137.13235	4.6
139.07555	24.8
139.11130	3.9
143.04529	5.2
143.06985	19.0
143.08571	8.4
145.04976	3.8
145.10097	9.7
147.04425	4.6
147.08009	4.7
147.11661	51.2
149.09625	4.5
149.13310	7.4
151.07590	4.4
151.11197	13.1
153.01814	20.9
157.08641	9.7
157.10095	17.8
159.06593	9.1
159.07977	6.1
159.11581	4.7
161.06001	7.1
161.13257	10.0
163.03926	6.3
163.07471	5.3
163.11223	4.3
165.09082	6.1
165.12747	18.1
167.07034	5.1
167.10779	4.4
169.12207	30.0
171.03030	4.1
171.11681	18.0
175.11191	39.1
179.03441	5.9
181.04930	15.8
181.10081	4.2
185.11685	5.0
187.06047	13.3
189.12706	23.9
191.14249	4.7
193.12236	33.5
197.26424	4.0
199.11246	18.2
205.06995	6.4
207.02852	11.6
207.13805	19.3
211.13293	43.8
212.24576	3.5
215.07025	7.7
217.12230	79.9
225.07822	5.0
229.05121	4.4
229.14369	15.7
235.13269	100.0
237.02721	5.4
247.02417	5.1
253.05276	4.5
253.14334	89.4
255.42117	4.0
259.09674	6.2
271.05969	68.2
271.15366	8.9
273.07562	6.0
274.11801	8.6
279.06485	3.7
283.05960	7.7
301.06949	9.1
325.06821	4.8
328.12213	4.1
353.10236	4.2
371.11249	24.6
389.06573	14.2
389.11725	7.1
397.18506	12.3
402.33194	3.9
402.38535	4.0
403.13754	6.6
415.10104	10.7
433.10745	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	432.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.9
56.96554	4.9
67.05511	14.5
69.03410	8.1
69.07056	8.5
70.06579	7.5
71.04987	2.3
71.61240	3.0
72.04527	2.0
72.08150	5.9
79.05468	10.3
81.03420	4.1
81.07044	21.8
83.04961	6.8
83.08619	3.0
84.08141	3.3
84.44921	2.0
85.02903	3.2
86.09685	6.1
91.03967	2.8
91.05470	31.2
93.07035	25.1
95.04962	12.5
95.08593	24.4
97.02906	5.5
97.06524	19.5
105.07033	14.7
107.04962	6.3
107.08595	26.0
107.18153	2.0
109.02886	3.4
109.06504	8.0
109.10135	11.5
111.08070	3.6
115.05496	2.2
117.07034	4.7
119.04948	18.4
119.08588	10.5
120.08095	3.6
121.06539	6.9
121.10126	10.1
122.10649	1.9
123.04420	17.0
123.08079	5.7
123.11614	2.3
125.09599	7.0
127.03929	3.0
131.08551	10.7
133.10115	10.1
135.08064	16.6
135.11659	6.5
136.07570	100.0
137.05960	3.8
137.09596	4.5
143.08603	3.1
145.06439	3.1
145.10121	16.7
147.04401	8.8
147.08040	3.3
147.11665	5.3
149.13228	3.5
153.01819	15.8
154.02145	9.4
157.10104	4.4
159.08018	4.5
159.09253	2.5
159.11665	13.0
160.02194	2.2
161.13272	3.0
163.03880	6.0
163.11192	7.7
165.05479	23.9
171.11713	2.5
173.02347	6.1
173.09601	5.6
173.13171	5.4
182.08145	32.6
187.11201	3.7
187.14774	11.1
189.12689	5.9
191.14340	5.7
197.13252	6.8
205.12300	2.3
205.15829	6.9
215.06953	4.4
215.14334	15.1
218.11700	2.3
230.11783	6.1
233.15349	34.4
251.16409	3.3
259.09546	13.6
259.95377	2.5
285.03992	2.3
298.04611	4.0
299.05121	8.4
300.05716	2.9
308.23978	2.6
311.05627	3.5
312.05762	3.7
313.03391	8.5
314.03790	21.1
315.04550	2.4
327.04636	9.8
328.05438	3.7
340.09109	2.5
355.08008	7.4
356.08453	41.9
368.22189	30.8
382.10040	11.5
386.23273	31.2
400.11011	15.8
414.22745	12.6
432.27899	7.2
433.14871	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	432.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
53.03942	1.0
55.01870	0.2
57.03444	0.2
60.42621	0.2
65.03939	0.8
66.10256	0.2
69.03421	3.2
69.60223	0.7
69.60648	0.7
70.06573	0.6
71.04983	0.4
72.08127	0.6
73.02901	0.4
78.03448	5.6
80.05001	1.2
81.03410	6.2
81.07030	0.2
81.21037	0.2
84.08134	0.5
85.02898	2.3
85.47318	0.2
86.09698	0.7
91.05472	9.7
92.05769	0.2
93.07040	0.7
95.04967	1.2
96.04482	3.3
97.02870	2.1
97.06526	0.3
99.04446	1.1
103.05472	0.4
106.02903	20.6
109.02859	3.5
119.04932	23.3
120.05253	0.5
120.08106	0.3
121.06499	8.4
123.04424	5.7
124.03941	37.3
125.04280	0.4
127.03907	2.1
136.07552	0.6
147.04395	100.0
148.04739	1.7
149.05966	1.4
153.01796	0.2
164.07047	0.2
165.05496	1.7
166.04993	1.3
167.06975	0.3
183.23810	0.2
184.13071	0.2
196.06119	0.2
217.65089	0.2
231.06485	0.3
232.05986	0.3
250.07086	8.2
253.36841	0.2
268.08136	19.8
269.08365	0.5
274.84695	0.2
294.07526	0.2
303.05081	0.3
341.84506	0.2
388.13528	0.3
389.17648	1.2
414.11862	3.6
432.07108	0.4
432.12881	5.6
432.18689	0.3
433.17172	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	432.2014
Annotation	Oxyprotostemonine
Peak:m/z	Relative Intensity
51.98760	1.2
53.03964	2.1
55.01862	2.8
55.05508	7.9
57.03428	1.9
61.02919	3.1
65.03931	3.2
67.05492	16.4
69.03421	6.8
69.07061	8.0
70.06584	4.0
71.04983	5.6
71.60358	1.8
72.08150	2.2
79.05486	15.5
81.03410	4.1
81.07057	19.7
83.04975	11.2
83.08594	3.0
84.08131	2.4
85.02882	3.3
86.06078	1.5
86.09727	2.5
91.05469	37.8
93.07039	18.3
95.04959	18.2
95.08592	15.4
97.02900	4.2
97.06512	22.6
97.16428	1.7
99.04446	8.1
103.05470	3.5
105.07024	38.0
107.04925	11.3
107.08582	15.3
108.08881	1.4
109.06508	10.3
109.10139	3.4
110.05914	1.3
111.04417	4.5
111.08073	2.2
113.51011	1.5
115.05424	4.1
117.07008	15.6
119.04927	23.5
119.08585	14.4
120.08104	2.3
121.06462	10.2
121.10140	7.5
123.04417	21.2
123.11682	1.9
125.05990	12.5
125.09596	2.1
127.03941	1.8
127.07542	2.9
128.06226	2.6
129.07010	9.0
130.07756	7.6
131.08543	27.6
133.06493	3.0
133.10123	6.6
135.04398	3.2
135.08034	3.4
135.11662	2.7
136.07565	100.0
137.05975	7.0
137.07874	2.0
137.09665	1.5
141.06998	2.5
143.07025	5.5
143.08546	7.5
144.09352	7.4
145.06465	6.8
145.10109	78.5
147.04378	10.3
147.08047	3.1
147.11693	8.3
149.09590	3.5
151.07524	4.5
153.01796	3.3
154.02094	2.3
154.07759	3.9
155.08638	3.1
157.10089	2.8
158.07277	4.2
159.08070	6.0
159.11679	29.9
161.09650	3.6
161.13257	3.4
162.05510	15.2
163.03888	4.2
163.07634	1.5
163.11192	7.3
164.07014	1.8
165.05463	26.5
169.10074	10.3
171.11739	1.9
172.08835	1.8
173.02295	1.8
173.09607	27.4
177.12662	2.1
182.08125	41.0
187.11166	49.7
187.14816	1.7
189.12695	7.8
191.10619	16.1
197.09683	3.0
205.12222	20.6
206.08191	2.8
208.06007	1.6
209.11659	3.9
213.09099	2.0
215.07198	2.7
215.10660	33.8
215.36183	1.6
216.10266	3.3
223.17056	1.4
230.11841	5.2
233.11711	15.9
233.15320	2.5
246.04845	1.6
251.12721	5.7
259.09540	3.3
260.12720	10.8
262.14182	1.7
274.04337	2.7
274.08945	1.6
276.12332	5.8
299.05356	1.9
300.05869	3.4
301.03436	1.5
301.94635	1.5
302.03763	3.9
303.04962	1.4
306.13312	16.9
313.03439	3.0
314.03717	8.5
341.20993	2.5
342.10571	8.8
350.17368	7.9
355.08084	3.0
356.08340	16.2
368.18466	16.0
368.22324	1.7
386.19653	7.2
396.17670	1.9
400.11078	10.7
414.13275	2.8
414.18909	22.5
432.13651	11.8
432.19260	2.3
433.14383	5.0
433.25977	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	431.2172
Annotation	Cinegalline
Peak:m/z	Relative Intensity
50.28059	0.7
53.03917	1.3
55.01859	15.8
55.05496	3.8
67.05495	5.6
69.03424	3.9
69.07058	13.4
69.43587	0.7
69.54640	2.2
69.55053	3.5
71.04966	2.7
79.05474	8.0
81.03410	1.3
81.07044	10.9
83.04966	2.1
83.08610	1.0
85.02896	0.9
85.06536	6.9
91.05437	5.3
93.07036	18.5
95.04946	2.7
95.08591	16.2
97.02882	0.8
97.06526	15.4
99.04448	4.5
105.07016	12.3
107.04935	1.1
107.08578	34.3
109.06512	8.8
109.10159	1.7
111.08072	2.7
113.05991	3.3
115.05460	0.8
117.06982	2.6
118.06545	4.9
119.08543	3.3
121.06496	8.0
121.10132	10.8
123.08073	8.9
125.05998	2.2
130.06535	5.5
131.08563	1.3
132.08093	5.9
135.08009	1.5
135.11659	6.6
137.13274	0.8
139.11151	3.5
142.06499	0.9
143.07043	1.0
144.08043	4.8
145.10085	10.3
146.05984	19.0
147.11617	1.6
149.09595	7.2
151.07533	9.4
153.12677	1.1
157.08598	1.4
159.09163	37.6
160.07599	1.2
163.11166	23.4
165.12714	1.7
167.10652	15.8
169.08580	100.0
170.05995	2.7
170.08913	1.2
173.09613	2.0
177.57715	0.8
181.10742	1.3
181.12221	14.4
185.07195	0.9
185.11729	6.9
188.07043	35.0
191.10646	7.2
200.52493	0.8
205.07896	1.2
205.09712	13.4
205.11612	0.9
209.11723	7.3
223.09885	1.0
225.22746	0.7
227.12752	55.3
236.39519	0.7
253.37865	0.8
349.18979	4.0
367.20105	8.6
369.21713	1.0
371.19647	1.1
377.18668	1.3
385.21118	11.4
395.19510	2.7
399.10446	0.9
413.20547	7.4
431.21732	2.7
431.27805	0.9
439.55865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1332
Annotation	Alternanthin
Peak:m/z	Relative Intensity
53.03918	0.7
53.31573	0.4
55.01846	0.9
55.05479	2.1
56.96545	0.9
57.03428	2.9
59.04985	0.5
61.02895	0.9
67.05504	3.2
68.99761	1.3
69.03387	1.4
69.07063	7.0
70.06551	1.6
71.04969	1.2
71.50187	0.4
72.08138	0.8
77.07690	0.5
79.05482	5.1
81.03378	1.9
81.07058	4.1
83.04967	0.7
85.02864	1.4
85.06519	0.7
91.05435	1.8
92.65211	0.5
92.74612	0.5
93.06994	2.1
95.01285	0.5
95.04926	1.8
95.08585	2.5
97.02850	1.6
97.05923	0.8
97.06516	14.0
99.04404	0.6
99.08100	0.6
105.06995	1.6
107.04920	0.5
107.08566	2.1
109.02867	0.6
109.06486	0.8
109.10085	1.1
111.00763	0.9
111.08064	0.9
119.08533	1.7
121.02833	1.1
121.06473	0.9
121.10142	1.0
123.04437	0.6
123.11705	0.7
125.02456	0.5
127.03899	1.1
129.06932	1.2
131.04865	0.5
131.08551	0.8
133.10098	1.0
137.02295	1.2
137.05978	0.7
137.09563	0.5
143.08536	0.5
144.08046	1.3
145.06451	0.9
147.04321	0.8
147.11632	0.8
148.11891	0.7
149.09592	0.6
153.01793	6.0
159.04358	0.8
159.09149	1.6
159.11693	0.5
161.02338	0.9
161.05969	0.7
163.03824	0.7
163.11256	0.6
165.01836	2.5
165.09160	0.6
173.05943	0.6
179.03384	1.0
183.02800	0.7
187.03760	0.8
188.07033	1.3
189.05420	1.4
201.05486	2.7
203.03391	1.0
205.09668	0.7
211.13226	0.6
213.05315	0.6
215.07063	0.9
217.04932	10.0
228.04108	0.8
229.04942	8.0
231.02856	0.5
241.05005	1.0
243.06467	2.7
245.04413	12.9
256.03824	0.6
257.04446	5.1
269.04428	5.6
269.12332	2.0
270.04840	0.6
270.12473	1.6
271.05933	4.3
273.03922	13.0
274.04620	1.5
283.06088	1.1
285.03876	7.8
285.16861	0.7
287.05490	1.1
299.05450	24.7
301.03397	29.8
302.04111	3.1
303.04956	11.0
309.07349	0.7
311.05441	1.7
313.03384	70.2
314.03506	1.2
325.03363	1.0
325.06967	7.0
326.04184	4.9
327.04904	0.9
327.08423	4.9
337.07092	0.7
339.05191	0.8
340.05835	0.8
355.08087	100.0
356.08362	2.9
381.09668	4.1
399.10699	70.9
400.10709	1.2
408.15131	0.6
413.12408	4.5
431.13330	72.0
432.13727	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	430.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04505	7.0
69.07034	2.6
70.06594	15.7
70.14061	9.7
72.08165	3.7
74.06068	2.8
81.03412	3.1
81.04521	3.9
84.04476	6.3
84.08139	5.4
85.02901	4.3
86.09698	16.1
86.92500	2.0
89.13708	2.5
91.05412	4.0
93.07013	2.5
97.02876	3.1
103.05458	6.3
105.90303	2.2
106.02945	2.5
107.04932	3.3
108.05599	18.7
119.04971	2.6
120.08096	100.0
124.03951	2.9
129.10262	3.0
136.06180	38.7
136.07269	4.2
136.07564	3.6
147.04366	3.8
153.92946	2.1
154.06111	17.4
166.08618	39.1
268.10416	3.0
300.98724	2.3
319.31262	2.6
333.51364	2.3
426.91342	2.2
430.13474	2.7
445.82202	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.05514	5.0
56.05029	5.7
56.96579	4.3
57.03445	4.0
67.05515	14.9
69.03412	9.0
69.07064	6.9
69.28930	3.0
69.67406	19.9
70.06586	29.1
71.05002	3.6
72.08170	19.6
73.02926	5.0
79.05490	5.0
81.03400	6.9
81.07053	7.0
83.05001	4.4
84.04486	5.5
84.08141	24.4
85.02903	13.2
85.06538	10.6
86.09708	51.0
91.05502	6.2
93.07044	7.0
95.04967	7.0
95.08598	58.1
97.02894	6.2
105.07026	8.0
107.04965	5.2
107.08594	8.8
108.08115	64.2
109.02901	3.4
109.06513	6.0
110.07164	3.6
113.06017	9.6
119.08579	22.0
120.08125	3.8
121.10117	7.7
121.61108	3.1
123.04412	6.0
123.08069	30.4
127.03934	5.8
129.10225	12.0
131.08624	4.3
133.10141	6.0
135.08067	4.8
135.11678	12.2
137.09666	3.4
138.21962	2.9
143.11809	4.7
145.10109	4.2
147.04385	10.1
147.08076	3.7
147.11661	9.3
148.07571	3.6
149.09586	22.7
150.12708	3.9
151.14886	4.0
155.93248	3.1
157.13229	3.7
161.08241	3.1
161.13263	14.7
163.11198	13.5
165.12761	5.8
171.11528	5.3
176.10693	21.2
189.12715	17.9
207.13789	100.0
225.14886	4.2
232.16939	11.7
250.18034	22.2
268.19144	4.6
412.23212	4.5
430.16739	5.3
430.24985	5.7
430.30286	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	429.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
53.55119	0.7
55.05492	2.9
57.03418	4.8
57.07067	1.1
64.74471	0.9
65.27013	0.8
67.05170	0.9
67.05499	12.3
69.07059	2.3
71.60833	0.9
73.03212	0.9
79.05122	0.8
79.05491	8.4
81.03403	2.2
81.07056	11.0
83.04974	1.3
83.08595	1.7
91.05429	4.6
93.07030	11.0
95.04958	2.1
95.08591	9.0
97.10176	0.8
105.07024	4.6
107.08588	8.6
109.10146	4.0
113.00008	99.0
117.07008	1.7
119.08598	3.8
121.10139	7.4
123.11699	2.8
129.37141	0.8
131.01042	1.6
131.08556	4.7
133.10091	3.8
135.11690	5.2
137.13297	1.6
145.10088	4.8
147.11658	3.4
149.02295	1.0
149.09581	1.3
149.13248	5.0
159.11653	4.4
161.13206	1.9
163.11166	1.0
163.14790	3.1
163.51759	0.8
169.02600	100.0
172.95212	2.9
173.13298	3.7
177.16360	1.3
184.07263	1.5
187.14761	2.4
190.96297	1.7
193.12267	0.9
207.19359	0.9
211.13237	1.8
228.97693	1.4
229.74272	0.8
231.37892	0.8
243.21037	8.1
254.81160	0.8
261.22119	23.8
275.23688	1.0
333.54938	0.8
429.18866	3.9
447.18344	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	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03302	0.7
54.57689	0.7
55.05494	2.6
55.37115	0.6
57.07077	18.4
62.54540	0.7
67.05504	4.8
68.68922	0.7
69.07079	5.0
71.08276	1.2
71.08633	14.8
71.37971	1.1
79.05486	2.1
81.07056	6.7
83.08602	2.6
83.36497	0.7
85.10182	5.2
91.05486	2.6
93.07029	2.2
95.08150	0.6
95.08631	7.3
97.10175	1.5
103.79542	0.7
105.07035	2.6
107.08594	6.2
109.10148	6.0
111.04445	1.0
111.11756	1.1
112.80815	0.7
117.07000	0.8
119.08588	3.9
121.06536	1.1
121.10143	4.2
122.07237	1.6
123.08050	2.0
123.11684	2.4
131.08577	4.1
133.10126	1.7
135.08046	6.3
135.11652	1.2
137.09608	11.3
137.13225	0.8
139.07552	2.0
145.10120	2.7
149.09619	14.4
149.13263	1.0
151.07480	1.2
157.10095	0.8
159.08075	0.8
159.11737	3.6
160.08823	1.2
162.06705	0.8
163.07576	0.9
163.11182	19.6
165.09116	100.0
166.09419	2.1
173.09598	1.6
173.13246	2.2
173.30937	0.7
175.07489	1.0
175.11174	6.0
176.08400	1.9
177.09109	10.4
177.12732	2.1
179.10713	1.6
186.10396	1.3
187.11232	3.0
187.14793	1.4
189.09117	1.8
189.12825	1.9
190.09839	2.2
191.10663	11.1
191.14417	1.1
201.12712	4.4
203.10634	1.9
203.14291	1.0
205.12218	11.3
215.14244	1.8
217.15891	0.7
219.13797	6.3
233.15375	1.9
247.16959	1.5
261.18512	0.9
275.20117	1.0
289.21826	0.8
303.23135	2.6
317.24832	0.9
331.26276	0.9
345.28030	0.9
346.73389	0.7
347.54834	0.8
373.30966	1.4
401.34079	3.1
411.36188	2.2
429.32056	2.6
429.37256	41.7
430.37854	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	429.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30865	2.5
53.03930	9.4
55.01856	8.2
55.05505	23.0
55.35349	2.2
56.96538	3.2
57.03227	2.3
57.03431	25.6
61.02920	24.3
65.03926	5.6
67.05500	39.8
67.62164	2.6
69.03425	22.6
69.07059	7.7
70.06581	13.9
70.17850	8.9
70.18264	5.7
71.01330	6.0
71.04983	6.5
72.08130	4.7
73.02907	11.5
79.05479	37.2
81.03416	100.0
81.07054	29.4
83.04994	14.9
83.05402	3.1
83.08605	15.8
84.08129	6.5
85.02895	32.5
86.09698	18.3
91.03944	11.3
91.05472	30.6
93.06645	2.3
93.07047	23.1
95.01332	3.9
95.04962	98.0
95.08619	15.9
97.02888	34.1
97.06538	3.3
97.10166	6.3
99.04443	10.1
101.02388	4.7
103.03945	14.3
103.05440	3.8
105.07026	27.3
107.04958	22.5
107.08594	16.7
109.02868	23.8
109.06507	11.2
109.10143	8.9
110.07095	3.4
110.70717	2.9
111.04432	10.8
111.08069	5.2
116.07067	6.5
117.06989	8.8
119.04930	3.8
119.08569	21.9
121.06496	15.0
121.10136	13.9
123.04424	51.5
123.08033	7.8
125.05910	2.8
127.03952	17.6
129.06985	18.3
129.94759	3.1
131.04939	6.7
131.08575	18.0
133.06441	6.7
133.10126	11.5
135.04456	4.7
135.08047	6.2
135.11671	9.2
136.07539	5.6
137.02341	3.2
137.05991	6.1
137.09586	4.7
139.03854	4.7
143.08551	5.9
145.04919	3.6
145.06496	5.4
145.10112	21.2
147.04395	17.9
147.08015	10.4
147.11656	12.5
149.05957	2.8
149.09647	6.7
153.09120	6.5
157.10107	10.2
159.11652	6.2
161.05940	3.9
161.09567	5.2
162.05481	4.7
163.07504	3.5
163.11194	26.1
165.12805	6.3
171.11679	5.6
173.05959	3.6
173.09550	6.3
173.12749	3.1
175.07578	2.9
175.11203	9.2
187.10980	2.9
189.05423	7.9
189.12735	14.8
190.04988	12.5
191.10617	5.0
193.08417	3.1
193.12234	38.1
201.99948	2.8
205.12238	6.7
207.13760	13.2
211.13306	24.0
217.12227	12.7
223.13336	4.3
225.07748	4.1
231.13843	3.5
235.10909	4.8
235.13293	81.0
246.14801	6.0
247.13002	3.1
249.14778	8.1
253.14305	7.9
255.13759	3.6
259.13321	21.7
267.15891	20.7
273.14822	31.3
277.14380	9.1
285.16977	4.6
289.14328	7.5
301.14319	26.6
309.16922	38.4
310.11893	2.7
315.16162	3.8
319.15302	7.8
333.16956	4.4
351.17932	5.6
375.18060	21.7
393.19125	12.5
411.20135	7.7
429.21362	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	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50767	2.6
53.03930	8.9
55.01860	11.6
55.05503	16.7
57.03434	30.3
57.30309	2.4
61.02923	28.6
65.03935	3.1
67.05496	38.4
69.03426	25.8
69.07064	3.9
70.91494	7.1
71.01343	5.9
73.02917	15.0
73.41041	2.5
77.10493	2.7
78.20882	2.5
79.05067	3.5
79.05492	41.0
81.03413	100.0
81.07049	29.8
83.04984	16.2
83.08606	13.3
84.08133	3.1
85.02902	38.2
86.09692	4.4
91.03944	16.8
91.05048	2.8
91.05478	32.9
93.07037	25.5
95.01315	5.7
95.04963	89.7
95.08605	6.5
97.02275	3.9
97.02886	34.7
97.06544	5.4
97.10148	8.1
97.27647	3.0
99.04451	7.6
101.02381	5.3
103.03950	16.9
103.05408	3.2
105.06380	3.1
105.07037	28.9
107.04948	19.5
107.08589	14.0
109.02874	18.1
109.06509	8.1
109.10123	8.0
111.04423	9.9
111.08082	5.6
115.03907	3.1
117.07008	13.4
119.04890	3.5
119.08559	20.7
121.02809	3.5
121.06511	15.3
121.10117	10.2
123.04415	42.8
123.08086	5.6
125.09637	4.6
127.03912	18.2
128.06131	3.4
129.07036	15.2
131.04918	5.6
131.08589	18.1
133.06477	10.7
133.10132	8.9
135.04393	3.5
135.08025	6.1
135.11644	9.3
137.06010	4.7
139.03949	3.3
143.08525	4.6
145.04976	4.3
145.06470	6.4
145.10069	17.6
147.04344	13.6
147.08026	11.0
147.11725	14.3
149.05986	4.2
149.09567	4.4
153.09076	6.9
155.08533	3.3
157.10101	6.8
159.07973	3.2
159.11604	4.1
161.05972	6.1
161.09621	5.3
161.13190	3.0
163.11180	18.4
163.13203	3.7
164.13681	3.0
165.12698	7.4
171.11629	8.1
173.05997	3.3
173.09618	6.2
175.11166	6.7
177.12770	3.2
183.06535	3.5
189.05437	7.7
189.12764	12.0
190.04944	3.9
191.10713	6.5
193.12227	32.4
199.11124	4.9
199.79404	3.6
205.12196	5.9
207.13797	13.0
211.13226	20.5
217.12207	6.6
219.13744	3.7
223.13356	3.0
235.13281	77.4
247.13362	3.9
249.14868	9.3
253.14427	4.6
259.13354	18.4
267.15878	26.4
273.14850	26.4
277.14294	6.6
285.16913	5.1
289.14166	3.9
301.14249	28.4
309.16946	37.0
315.15814	3.3
319.15384	7.2
333.17020	4.8
337.16568	2.9
351.17978	7.0
375.17923	24.3
393.19113	16.6
411.20142	6.7
429.16360	5.5
429.21680	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	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01838	3.4
55.05507	8.9
55.58546	0.9
57.03434	9.5
61.02896	1.5
67.05495	13.7
69.03421	19.1
69.07047	4.4
69.47682	5.1
69.48109	2.9
70.06545	3.9
71.01318	1.4
71.04991	5.3
72.08114	1.6
73.02869	2.6
79.05483	14.9
81.03408	56.6
81.07056	17.7
83.04967	13.1
83.08608	11.8
84.04477	1.0
84.08096	2.0
85.02895	13.3
85.06485	1.4
86.09705	9.6
87.04418	2.2
91.05473	17.6
93.07035	10.6
93.99115	1.0
94.33241	0.9
95.04964	18.1
95.08597	5.3
97.02880	29.0
97.06462	2.3
97.10105	4.0
98.20814	1.9
99.04398	3.2
99.08090	1.0
101.02329	1.9
101.05918	1.0
103.03884	1.9
103.05428	1.1
105.07015	12.6
107.04937	5.0
107.08585	6.3
108.01436	1.2
109.02871	8.3
109.06458	4.1
109.10102	2.0
111.04438	5.3
111.08080	5.4
111.89134	0.8
113.05914	1.3
115.05371	1.0
116.07008	1.9
117.06943	2.5
119.04890	1.4
119.08572	10.2
119.67985	0.9
120.08029	1.6
120.08836	1.2
121.06398	2.7
121.10133	4.2
122.05952	1.5
123.04323	3.0
123.07968	1.6
123.11636	1.9
125.09582	1.4
127.03915	10.7
129.05389	2.7
129.06985	5.9
129.10175	1.4
131.04861	1.2
131.08549	7.6
133.06387	3.0
133.10086	4.9
135.08002	2.0
135.11595	2.3
136.07506	1.7
137.05931	1.1
137.09590	1.2
142.07701	1.0
144.89810	0.9
145.09999	3.2
147.04291	2.0
147.07942	2.0
147.11673	10.2
148.07509	2.2
149.09489	3.6
153.12569	1.0
157.10133	7.2
161.05792	1.6
162.05385	0.9
163.11075	3.4
165.12613	3.8
167.06885	1.5
171.06339	1.0
171.11647	1.2
172.03822	2.4
173.09517	1.1
173.12837	2.1
175.11180	8.6
177.12578	1.6
181.12178	2.1
189.11034	1.5
189.12605	1.3
190.04987	7.9
191.10567	1.8
193.12218	35.3
201.07368	1.5
201.12311	2.0
211.13264	50.7
212.13582	1.8
217.12132	1.9
227.12593	3.0
229.14218	2.0
235.13214	4.2
247.13104	1.2
249.14867	5.4
259.13068	1.0
265.14215	1.3
267.11935	1.0
267.15869	5.9
273.14584	2.9
277.14127	1.6
285.16928	10.3
289.13690	1.0
301.14136	2.1
309.16757	3.6
313.16272	1.7
319.14941	1.2
325.11554	1.5
337.16101	2.6
355.16983	2.6
367.16760	2.4
369.14847	4.0
375.17728	1.2
411.19769	3.7
428.09592	1.0
429.16751	100.0
430.17276	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	429.2119
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
53.03934	8.8
55.01867	7.4
55.05506	14.8
56.96554	1.8
57.03431	20.1
61.02914	2.3
65.03924	1.3
67.05502	21.7
69.03069	2.8
69.03428	36.7
69.07060	8.1
69.51212	1.3
70.06583	14.9
71.01340	2.7
71.04984	8.5
72.08156	8.2
73.02920	4.1
77.43295	1.3
79.05486	21.3
81.03414	98.1
81.07055	26.7
83.01317	1.4
83.04978	22.3
83.08616	18.3
84.04502	2.6
84.08138	6.4
85.02901	31.8
85.06515	3.0
86.09697	12.1
87.00820	2.4
87.04435	1.6
91.05468	21.0
93.07035	15.4
95.04967	29.2
95.08578	8.0
97.02888	54.6
97.06516	6.0
97.10174	4.5
98.21510	3.0
99.04445	8.6
101.02383	3.2
101.06043	2.0
103.03922	3.8
105.07022	18.7
107.04948	8.7
107.08588	12.2
109.02881	16.7
109.06529	5.5
109.10153	2.3
110.07112	1.5
111.04446	9.4
111.08070	9.5
117.07017	3.3
119.04948	1.4
119.08573	16.3
120.08119	2.7
121.06490	5.3
121.10139	15.2
123.04446	2.8
123.08070	3.8
123.11741	3.8
125.09608	4.2
127.03911	19.1
127.17995	1.4
129.05429	3.3
129.07022	9.8
129.10231	2.0
129.63342	1.3
131.08565	10.4
133.06462	3.2
133.10133	8.3
135.11702	3.9
142.07779	1.9
145.04955	2.6
145.10123	3.1
147.04431	2.3
147.08084	2.9
147.11687	17.3
149.09590	5.2
153.12805	2.0
157.10097	13.4
163.11172	10.6
165.12784	7.0
169.06348	1.5
175.11185	16.6
181.12215	4.9
183.06511	2.2
185.16533	2.0
187.11182	1.8
189.11229	2.6
189.12799	2.4
191.10683	2.0
193.12238	61.9
201.07361	1.9
211.13286	100.0
212.13579	2.5
217.12306	2.5
227.12811	4.0
229.14412	4.2
235.13327	3.3
242.39992	1.9
249.14845	7.6
259.13342	2.1
267.15927	5.1
273.14951	1.9
285.16983	18.7
301.14343	1.5
309.16940	1.9
313.16379	1.8
333.16873	1.5
337.16379	3.4
355.17691	5.4
393.18958	2.5
411.20096	5.9
429.21201	68.0
431.05780	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	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.1
54.50843	1.2
55.01860	5.3
55.05504	16.7
56.96555	2.5
57.03433	14.9
60.82477	1.2
61.02919	4.9
65.03932	1.4
67.05498	20.4
69.03423	27.5
69.07068	6.4
71.01363	2.0
71.04990	9.2
71.30529	2.6
72.08140	1.4
73.02902	7.0
79.05484	17.0
81.03409	97.0
81.07044	24.1
83.04971	20.1
83.08613	22.4
85.02408	2.6
85.02892	25.4
85.03365	2.1
85.06561	1.8
87.04490	1.5
90.23521	1.3
91.03984	1.4
91.05459	23.5
93.07035	14.9
95.04961	26.3
95.08611	8.2
97.02879	48.5
97.06544	4.0
97.10165	5.4
99.04459	7.6
101.02382	2.4
101.18077	1.2
103.03944	1.9
105.07017	12.3
107.04975	4.8
107.08567	9.8
109.02870	12.7
109.06529	4.4
109.10178	4.3
111.04461	7.2
111.08060	8.2
113.06036	2.6
117.07040	1.8
119.08562	12.8
121.06549	3.8
121.10121	8.3
123.08040	2.7
123.11748	1.5
125.05931	1.3
125.09653	3.3
127.03911	15.1
129.05484	2.8
129.06987	9.0
131.08577	11.1
133.06526	3.4
133.10118	6.1
135.11742	1.9
137.09648	1.5
142.07730	2.4
145.05009	2.4
145.10031	2.8
147.08060	3.1
147.11658	13.8
149.02388	2.6
149.09627	4.6
151.11288	1.4
153.12698	1.3
157.10094	13.8
157.11089	1.1
159.11717	1.8
163.03918	1.8
163.11218	4.2
165.12793	1.7
175.11165	13.2
181.12300	1.9
183.06534	2.1
189.05559	1.3
189.11191	2.1
189.12755	1.5
191.10730	3.2
193.05045	1.9
193.12222	66.1
194.12587	1.8
199.11177	1.6
211.13264	100.0
212.13686	2.8
227.12822	4.3
229.14467	2.6
235.13362	3.8
247.13177	2.2
249.14827	8.9
259.13397	1.5
265.14194	1.7
267.16077	5.1
285.10132	3.2
285.16959	15.5
301.14432	2.1
313.16385	1.8
316.11774	2.0
355.17441	3.0
374.17407	1.4
393.19073	2.4
411.20340	4.5
429.11908	4.7
429.21255	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01859	1.7
55.05492	4.6
57.03426	8.0
57.07056	1.5
64.91775	1.6
66.23531	1.4
67.05506	7.3
69.03419	15.3
69.07069	2.3
71.04973	4.5
71.60846	2.3
77.82002	1.4
79.05487	7.3
81.03409	42.4
81.07053	7.5
83.04972	11.0
83.08616	6.8
85.02904	13.1
85.35818	1.5
91.05463	6.8
93.07053	6.9
95.04946	9.5
95.08578	5.8
97.02882	24.8
99.04436	3.3
105.07021	8.9
107.04919	2.9
107.08578	4.0
109.02880	6.7
109.10136	2.4
111.04391	4.3
111.08070	4.3
119.08566	8.3
121.06530	2.4
121.10127	3.8
123.11588	1.6
127.03883	8.1
129.05498	3.2
129.06981	2.3
131.08559	3.4
133.10121	3.2
147.11661	5.1
149.09633	2.5
157.10115	6.3
163.03893	2.1
163.11084	1.9
175.11166	5.5
181.12273	1.9
189.11223	1.8
193.12222	24.0
211.13272	45.5
227.12790	2.4
229.14409	2.1
249.14812	3.4
254.34822	1.5
261.13116	1.8
285.16931	5.0
355.17297	3.8
429.21426	30.1
429.31821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01868	5.7
55.05506	2.3
56.05027	0.8
57.03436	5.0
57.07061	0.4
59.58374	0.5
60.04521	0.6
61.02917	3.7
65.03917	0.6
67.05493	3.4
68.04991	0.6
68.69834	0.4
68.99777	2.2
69.03426	26.6
69.07062	1.7
70.06586	7.5
71.01359	1.1
71.04988	3.8
71.59421	0.5
71.59797	0.6
72.08144	3.2
73.02908	5.5
79.05489	5.6
81.03413	28.4
81.07059	5.7
81.18813	0.5
82.06573	0.6
83.01322	0.9
83.04992	3.2
83.08616	1.1
84.04487	1.3
84.08144	3.4
85.02900	48.7
85.06511	0.7
86.06067	0.5
86.09696	5.9
87.00826	15.5
87.04477	0.9
91.03951	1.1
91.05460	7.5
93.07042	12.1
95.04966	18.4
95.08607	2.6
97.02279	1.0
97.02891	17.3
97.06514	2.1
99.04448	10.5
101.02347	0.6
103.03920	2.0
103.05449	1.0
105.01857	14.1
105.07024	10.1
107.04954	1.8
107.08595	13.2
109.02875	25.6
109.06513	3.5
109.10154	0.7
110.07133	0.6
111.04415	1.0
111.08127	0.6
115.03913	1.0
115.05428	1.0
116.07058	0.8
117.01822	2.4
117.07014	5.4
119.04945	1.3
119.08575	6.0
120.08090	1.3
121.02892	0.5
121.06504	5.2
121.10138	12.0
123.00771	0.5
123.04418	1.1
123.08060	1.6
125.05974	1.6
127.03909	39.1
128.04260	0.6
129.01837	3.0
129.06987	1.5
129.10228	1.4
130.04974	0.6
130.07813	3.7
131.08553	1.6
133.06461	1.3
133.10115	3.0
135.08064	1.6
135.11696	6.2
136.07581	0.6
137.05986	1.9
137.09612	0.6
139.05231	0.5
139.07596	0.5
143.08534	1.6
143.11906	0.6
145.04953	12.6
145.10110	15.2
147.02875	2.9
147.04379	0.6
147.08025	2.7
147.11670	1.6
148.08806	0.6
149.05978	1.4
149.09625	1.3
155.72740	0.5
157.10075	0.9
159.02896	14.3
159.07977	0.6
159.11649	0.8
161.09642	2.1
163.11174	100.0
164.11511	2.8
165.09097	1.8
165.12735	1.5
167.07047	2.9
167.08318	0.8
170.89606	0.5
175.11140	3.0
177.03943	1.3
177.12666	1.0
177.64166	0.5
181.12207	5.2
183.10135	0.7
187.11073	0.8
189.03949	2.1
189.12738	0.7
191.10709	0.6
193.12209	3.4
203.10732	0.8
205.08606	0.6
205.12234	5.3
211.13196	2.9
213.03920	1.6
223.13287	8.4
231.04974	8.6
233.08002	0.6
249.14876	0.8
267.16016	0.7
271.13373	1.6
287.05688	0.5
289.14453	0.8
375.14340	0.7
393.15167	3.0
411.16443	1.5
427.56464	0.5
429.16617	1.8
429.21344	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	429.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01860	0.5
55.05499	0.8
57.03426	0.8
61.02908	0.4
67.05483	0.8
69.03432	1.8
69.07056	0.8
69.31169	4.2
70.06582	4.3
71.05006	0.5
72.08144	2.2
79.05468	1.7
81.03423	2.9
81.07042	1.5
83.04965	1.6
83.08611	0.8
84.04488	1.5
84.08138	2.8
85.02908	1.9
85.06590	0.4
86.09702	5.5
87.05584	0.4
87.10027	0.5
91.05458	1.2
92.70795	0.3
93.07020	1.0
95.04955	2.0
95.08579	0.8
97.02888	2.3
97.06527	0.4
98.09694	0.4
98.21506	0.8
99.04421	0.6
101.85003	0.4
102.05523	0.4
103.05469	0.6
105.06999	1.3
107.04935	0.6
107.08587	1.1
109.02837	1.3
109.10115	0.6
112.19998	0.4
116.07033	0.8
119.08560	1.2
120.08065	1.2
121.06482	0.4
121.10096	1.0
124.03925	0.7
124.07549	0.5
125.09579	0.5
127.03902	0.9
129.10243	2.3
131.04967	1.0
131.08546	0.7
133.06409	0.4
136.07527	0.8
137.09590	0.4
144.04504	0.4
145.10094	0.5
147.11700	0.5
148.07492	0.4
149.02284	1.2
149.09589	0.5
157.09999	0.4
163.03897	0.8
163.07497	0.5
163.11159	1.3
172.03951	0.4
173.12857	0.6
190.04990	1.9
193.12224	1.9
201.12433	0.5
211.13307	2.4
249.14923	0.5
267.12198	0.8
269.84528	0.5
309.12891	0.8
315.19952	0.5
325.11627	0.5
339.14291	1.0
367.17252	3.0
369.15088	5.0
411.15942	0.9
429.17166	100.0
430.17502	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	429.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01849	0.5
55.05490	1.2
56.05001	0.5
57.03429	1.1
61.66396	0.5
67.05482	1.4
69.03402	1.4
69.07050	0.9
69.23122	0.5
70.06583	5.1
71.61095	0.7
72.08155	2.8
73.02874	0.5
79.05466	1.8
81.03414	3.3
81.07037	1.6
83.04950	1.5
83.08574	0.5
84.04479	1.8
84.08128	2.5
85.02864	1.8
86.09699	5.3
90.61139	0.5
91.05452	1.5
93.07021	1.7
95.04935	1.6
95.08584	0.7
97.02868	2.1
97.06508	0.8
99.04441	0.6
102.05524	0.6
105.06989	1.7
106.02921	0.9
107.08541	1.3
109.02870	0.9
109.06472	0.5
110.07119	0.7
111.04401	0.6
116.07053	0.9
119.08569	1.3
120.08054	0.9
121.10137	0.6
124.03929	0.7
127.03934	1.3
129.10223	2.3
131.04909	0.8
133.10124	0.8
136.07516	0.9
143.08524	0.6
144.92448	0.4
145.10059	0.6
147.11650	0.5
148.07500	0.7
149.02301	0.9
154.08456	0.5
163.03873	0.9
163.07378	0.6
163.11136	1.1
172.03912	0.6
173.12912	0.8
183.16579	0.5
190.04974	1.9
191.10585	0.4
193.12167	1.7
211.13237	1.8
225.08006	0.7
267.11847	1.0
285.17197	0.5
339.13953	0.8
367.17242	3.1
369.15030	3.7
411.15833	0.9
416.14670	0.5
429.17148	100.0
430.17538	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	429.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	12.0
57.03423	0.9
60.04564	0.8
60.45052	0.8
70.06575	2.2
71.59221	1.0
72.90845	0.8
73.02922	1.0
77.05102	0.7
83.04380	0.8
84.08138	1.6
85.02894	2.5
86.06065	2.3
86.09672	1.3
90.22623	0.8
97.02883	1.1
98.97582	5.9
102.05617	0.9
110.97550	1.0
112.99119	35.5
115.02435	1.9
116.98608	5.0
119.01878	2.3
119.04967	1.0
127.03854	1.1
128.98590	3.6
131.00156	76.3
133.03462	11.1
134.99625	1.6
135.03191	0.8
136.06175	0.9
143.00143	1.0
145.03444	1.6
146.99673	3.5
147.04369	1.4
149.01207	59.4
151.04486	1.3
154.01709	2.2
156.98094	2.0
158.99632	1.5
159.05019	7.5
161.01199	1.8
163.02711	1.5
167.02272	7.8
170.99579	0.8
171.05121	1.0
173.02928	1.1
174.99149	10.5
175.02776	10.3
177.00735	2.2
177.06064	4.9
183.05089	1.9
189.00693	2.3
190.06372	0.9
193.00209	16.5
193.01958	1.7
193.03828	31.4
195.07111	4.4
201.00653	1.7
203.07634	2.7
205.02060	0.9
205.04007	1.4
211.04878	27.0
214.45923	0.8
216.05309	1.4
217.00017	1.3
219.01859	2.0
219.07176	1.2
221.08727	3.5
229.05966	1.4
231.07132	9.7
235.04898	2.7
237.02776	2.1
245.03134	1.2
249.06348	3.5
249.08255	3.5
251.04410	2.5
253.06033	1.4
258.06790	0.9
267.07507	1.8
275.06384	7.4
279.03906	0.9
291.00333	1.6
293.05255	100.0
294.05817	3.1
295.12308	2.0
311.06467	12.1
311.09933	1.5
334.08292	1.3
369.10666	2.7
429.13739	6.2
448.27518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03940	1.5
54.60785	0.3
55.01863	2.3
55.05508	4.1
56.96556	0.5
57.03434	5.7
60.04510	0.5
61.02921	4.8
61.73800	0.4
65.03931	2.7
67.05161	0.6
67.05499	7.9
69.03422	5.6
69.07066	2.4
70.06576	2.0
71.01336	1.4
71.04965	1.6
71.59927	0.6
71.66363	0.4
72.08134	1.4
73.02909	3.6
76.73580	0.4
77.03960	0.4
77.06501	0.4
79.05049	0.7
79.05484	8.9
80.05006	0.8
81.03410	18.7
81.07047	6.7
83.04973	3.6
83.08609	4.0
84.08118	1.1
85.02894	9.2
86.09714	2.0
89.03886	1.4
91.03931	2.5
91.04438	0.4
91.05459	9.0
92.04972	0.8
93.03388	1.1
93.07037	7.1
93.63835	0.4
94.06536	1.9
95.01334	0.8
95.04352	1.0
95.04961	18.1
95.08602	3.6
97.02878	7.4
97.06513	1.3
97.10158	2.0
98.97530	0.4
99.04414	2.3
99.08037	0.5
101.02351	0.8
103.03945	2.3
103.05452	2.4
105.05778	0.6
105.06377	0.7
105.07027	11.1
106.06554	0.5
106.07347	0.5
107.04941	5.6
107.08607	4.4
108.08112	2.5
109.02881	3.8
109.06528	2.5
109.10137	1.6
110.05994	0.4
111.04436	1.1
111.08065	1.8
112.11234	0.5
115.03981	0.5
115.05425	0.9
116.04976	5.5
116.07066	0.8
117.05665	0.7
117.06992	2.6
118.06528	1.8
119.04931	1.0
119.08571	5.2
120.04459	1.8
120.08097	7.4
121.02863	0.9
121.06498	3.8
121.10093	2.1
122.06023	18.2
123.04412	9.6
123.08046	1.2
123.11720	0.6
125.09607	1.7
127.03912	4.4
129.05429	0.8
129.06972	2.8
129.10129	0.5
131.04938	0.9
131.08566	3.3
133.06448	1.1
133.10081	2.2
134.05977	1.7
135.04405	0.9
135.08041	1.7
135.11662	1.7
136.07568	18.3
137.02380	0.5
137.05960	1.4
137.07854	0.4
137.09570	0.5
138.05457	1.0
139.03918	0.5
142.07732	0.6
143.08514	1.3
144.04422	12.7
145.04974	0.8
145.06459	1.2
145.10101	3.2
146.06003	6.3
147.04422	2.8
147.08029	1.8
147.11681	3.0
148.03931	11.7
148.07556	29.9
149.05927	1.5
149.07933	0.6
149.09602	1.5
153.09055	1.1
157.06429	0.7
157.07568	0.6
157.10098	1.9
159.06587	0.5
159.11655	0.5
160.07582	0.5
161.05997	1.2
161.09584	1.0
161.13242	1.0
162.05499	6.7
163.11157	5.6
165.12668	1.1
166.04999	5.9
166.08690	0.7
171.04370	0.6
171.11649	1.2
172.03920	31.0
173.04317	1.0
173.09581	1.0
173.12971	0.7
175.07539	0.6
175.11189	2.4
177.05437	0.8
177.12843	0.5
181.12196	0.5
185.13234	0.4
189.05486	1.1
189.12750	1.8
190.04971	100.0
191.05368	2.6
191.10690	1.0
193.12206	7.8
193.13881	0.8
199.11041	0.7
201.12413	1.3
203.08229	0.8
205.12224	1.1
207.13780	2.2
211.13286	6.6
212.09428	0.6
217.12215	2.0
223.13240	0.6
227.12335	0.6
229.14081	0.6
231.13800	0.8
235.10907	0.7
235.13283	13.9
236.09280	0.5
237.10081	0.5
247.13225	1.0
249.14819	2.3
251.11932	0.9
252.06139	0.9
252.08641	13.5
253.09131	0.5
253.14087	1.6
255.11380	2.6
255.13686	0.8
259.13257	3.2
267.11804	0.6
267.15860	4.6
273.14819	5.6
277.14386	1.5
279.11295	1.3
279.15546	0.5
281.12863	2.5
283.10718	7.6
283.13483	0.7
285.16983	1.1
287.05600	1.1
289.14325	0.9
297.12311	2.2
301.11255	2.2
301.14597	4.5
307.10745	0.9
309.16968	6.0
319.15393	1.1
325.11798	19.2
326.12228	0.8
333.16965	0.9
343.13043	0.8
351.17947	1.0
355.16861	0.4
361.02301	1.9
369.10751	5.4
369.30682	0.5
375.17996	3.8
385.13815	1.1
387.11954	2.9
393.19055	2.1
411.20447	2.1
429.16357	8.9
429.22153	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70960	0.9
53.03940	0.8
54.19137	0.8
54.79776	0.7
55.05307	0.7
55.05510	9.1
56.41558	0.7
57.07071	6.8
60.70307	0.8
65.78117	0.9
67.05489	4.2
69.07063	14.5
69.29727	4.1
69.30150	3.7
71.08614	3.4
78.38193	0.9
79.05466	1.7
81.07046	8.0
83.08620	13.4
85.10178	1.7
91.05451	1.6
93.07032	2.9
95.08610	7.2
97.10174	5.6
105.07004	1.3
107.04906	0.8
107.08575	3.4
109.10136	6.1
111.04359	0.9
111.11726	2.1
119.08559	3.8
121.10149	2.5
122.07319	1.4
123.11696	1.7
125.13226	0.8
135.08044	3.7
135.11652	1.3
137.09612	10.2
139.07571	0.8
148.39703	0.8
149.09590	7.2
149.13271	2.3
151.07549	1.9
159.11719	0.8
161.09499	1.3
163.07545	1.7
163.11188	3.2
165.09102	100.0
166.09427	1.5
172.08981	1.0
173.09438	1.0
175.07541	3.5
175.11208	2.7
176.08281	1.1
177.09090	5.6
177.12704	1.2
179.10600	1.5
187.11102	2.1
189.09068	3.2
189.12756	1.3
191.10684	5.7
191.14444	1.1
196.39368	0.9
201.12720	1.6
203.10683	5.8
203.14369	1.1
205.12218	12.8
216.11546	0.8
216.92331	0.9
217.12187	1.5
219.13777	1.8
231.13812	2.2
233.15297	1.7
245.15355	2.0
275.27237	1.0
345.27789	1.4
427.35724	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	427.196
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
53.03936	5.0
53.51120	2.7
55.01859	8.4
55.05495	13.9
56.05022	6.6
56.96547	6.4
57.03418	8.5
57.07055	3.0
60.04516	4.4
61.02919	8.3
63.47177	3.0
67.05499	15.0
69.03420	39.5
69.07053	8.9
70.06586	100.0
71.04978	10.8
71.06921	3.0
71.24411	4.6
72.08147	35.4
73.02904	3.9
74.06068	11.2
79.05473	8.5
81.03410	15.4
81.07039	8.5
83.04960	9.0
83.06091	5.0
84.04480	19.3
84.08141	38.8
85.02414	6.0
85.02899	66.4
86.09703	28.5
88.03992	3.0
91.05471	16.9
93.07040	20.6
95.04940	17.5
95.08596	7.1
97.02893	23.5
97.06518	7.1
98.06040	4.3
99.04426	6.7
101.07116	4.9
102.05529	3.5
105.07021	26.3
107.04930	4.0
107.08583	10.2
107.65079	3.1
109.02862	12.0
109.06511	14.4
110.07185	16.5
111.04427	11.6
111.08089	3.7
113.05983	4.0
115.08662	3.8
116.07050	4.6
117.03374	4.6
117.07001	6.4
119.04953	7.8
119.08585	28.4
120.08112	7.4
121.02916	3.5
121.06481	16.7
121.10121	8.1
122.07126	4.3
123.04469	7.0
123.08089	7.9
123.27245	2.6
127.03915	15.1
129.06966	5.8
129.10245	19.1
130.05023	5.6
130.53947	2.9
131.08575	14.6
133.02847	3.4
133.06508	4.8
133.10147	11.1
135.08041	32.1
136.06142	5.5
136.07555	7.8
137.09584	8.4
139.03897	3.8
139.07526	3.3
139.11166	3.4
141.06998	5.0
142.07751	3.9
143.08548	5.4
145.02815	6.3
145.04962	6.0
145.06479	8.1
145.10085	10.6
147.04396	22.4
147.07994	13.9
147.11662	6.0
148.05994	3.3
149.09616	8.6
150.07730	66.6
150.19115	2.7
155.08508	3.4
156.09343	5.2
157.10104	12.1
158.07265	7.9
158.97488	3.5
159.08063	17.7
159.11682	17.9
161.05978	4.4
161.09549	17.5
162.04016	3.3
165.09081	11.7
167.87160	3.1
169.09859	3.4
171.08072	3.2
171.11636	4.5
172.08818	5.9
173.09602	9.7
173.13274	8.6
175.07568	17.7
175.11115	20.9
177.05417	8.9
178.03734	3.1
179.03401	29.2
180.11307	3.2
183.11674	6.4
185.07944	3.0
185.09558	5.3
187.11156	12.8
187.14383	5.2
189.09085	3.9
189.12703	8.3
191.10548	3.0
193.08514	4.5
193.71312	3.1
199.11154	6.0
201.12704	8.9
203.10664	25.2
203.12733	9.1
205.12152	4.9
206.23145	3.2
208.10674	3.9
211.11105	5.3
213.12358	4.3
217.12196	9.8
227.13965	3.9
229.12218	12.1
231.08427	3.9
235.13266	3.8
247.13228	40.8
265.14337	80.9
286.84335	3.4
295.11453	10.3
323.27206	3.6
364.19791	3.0
427.11157	5.1
427.19763	37.8
428.19562	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	427.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.1
55.05501	0.3
56.05023	0.3
56.96549	0.2
57.03431	0.2
57.04543	0.4
58.06575	0.1
67.05492	0.3
69.03420	0.4
69.07037	0.2
69.88593	0.7
70.06580	2.4
71.04971	0.2
71.06915	0.1
71.31583	0.1
72.08138	0.6
72.93767	0.1
76.92615	0.1
81.03408	0.3
81.07048	0.2
83.04967	0.1
83.06090	0.2
83.08557	0.1
84.04472	0.2
84.08130	1.1
85.02887	0.5
86.09692	0.6
88.03973	0.1
91.05479	0.5
93.07020	0.2
94.04053	1.6
95.04935	0.4
95.06066	0.8
95.08601	0.2
96.05615	0.2
96.06394	0.2
97.02878	0.3
97.06513	0.3
105.03390	1.6
105.07008	0.2
107.08588	0.2
109.02863	0.1
110.07153	0.3
111.04456	0.2
112.05064	0.3
113.07121	0.3
116.01691	0.2
116.07070	0.2
119.03547	0.3
119.04919	0.2
119.08607	0.1
120.08076	0.5
123.04381	0.3
123.06672	0.8
124.07628	0.2
127.03902	0.2
129.10214	0.3
133.05081	0.4
134.99583	0.2
135.05411	0.2
135.08008	0.2
136.06178	0.3
136.07559	0.4
147.04369	0.9
148.06123	0.2
150.07732	100.0
150.98415	0.1
151.08189	0.7
153.39354	0.1
162.04140	0.2
164.98369	0.1
179.03426	0.1
179.06984	0.3
179.10609	0.1
203.12750	0.4
212.98445	0.3
213.12286	0.2
223.06511	0.2
239.00005	0.3
240.10233	0.1
269.00955	0.1
282.11993	0.6
283.08463	0.4
295.11465	19.0
296.11655	0.3
302.12848	0.1
307.08450	0.2
321.00485	0.7
324.19901	0.3
325.09427	0.1
339.01489	0.6
365.49170	0.1
367.17599	0.1
383.27258	0.8
410.82904	0.1
427.19565	2.2
428.14865	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	427.032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	0.4
51.02358	0.5
53.03943	3.8
55.01867	0.8
55.05510	0.5
55.93521	0.8
56.94293	1.3
56.96547	0.5
57.03424	1.2
57.07061	0.4
60.04520	0.8
65.19036	0.4
67.05492	0.9
69.03417	2.4
69.07070	1.0
70.06583	4.9
70.84689	1.0
70.95859	2.5
71.04985	0.9
71.14648	0.4
72.08157	2.9
72.93776	5.1
73.02872	0.5
73.94603	0.5
77.03908	0.7
79.05473	2.1
81.03410	12.0
81.07049	1.6
83.04987	1.0
84.04486	1.0
84.08127	1.7
85.02902	2.3
86.06061	0.6
86.09706	2.6
88.96882	1.7
90.94813	4.6
91.05478	2.7
93.07031	1.2
95.04957	8.6
95.06055	0.6
97.02874	0.6
97.06532	0.5
99.04441	1.2
105.03383	100.0
105.07004	1.7
106.03730	1.1
107.04957	0.5
107.08591	0.7
108.95850	1.5
109.02873	0.8
110.07191	2.3
111.04523	0.4
115.05490	0.5
116.59371	0.4
116.96353	0.6
119.04912	0.5
119.08549	0.6
120.08097	1.9
121.06454	0.7
121.10125	0.6
123.04430	2.3
124.07606	0.4
126.98397	1.2
127.03902	1.4
128.96326	1.9
129.10248	1.2
130.04996	0.5
130.97896	0.5
131.08582	0.5
132.95819	1.6
134.97371	1.2
135.11678	0.4
136.07582	1.2
136.95313	1.1
137.05923	0.8
139.11279	0.4
144.95816	1.8
144.99435	1.0
145.06474	1.2
146.97382	8.4
146.99748	0.6
148.98959	1.1
149.09552	0.4
150.96922	1.5
150.98416	9.0
154.97922	0.5
160.95320	1.8
162.96889	1.6
164.98454	5.1
164.99884	1.0
168.99495	1.2
170.97414	1.3
172.99022	1.0
173.00395	0.5
174.96854	2.7
175.07364	0.5
176.98511	0.9
178.96361	0.8
179.07019	15.8
179.10583	1.2
182.97429	1.9
187.07471	0.5
188.98462	1.7
191.01456	0.9
192.97890	1.0
194.97377	2.5
195.01123	1.1
198.96986	0.8
200.98395	3.2
202.96301	0.9
203.12775	1.1
207.01039	1.1
212.98438	21.9
216.98018	1.2
219.01047	1.1
220.98967	2.4
230.99487	2.9
235.00578	1.1
236.00047	1.2
236.98480	1.3
238.99995	18.6
240.97911	0.5
251.00014	7.3
253.01591	1.3
253.98619	0.9
254.99554	1.6
257.01035	1.1
262.01743	0.8
263.00015	0.7
265.01517	1.0
266.99484	1.2
269.01053	13.0
273.07666	0.6
277.01779	0.9
277.30389	0.5
292.02698	0.7
293.00937	0.7
297.93253	0.4
309.00671	0.5
311.02042	0.5
321.00528	38.7
322.00839	1.6
325.00153	0.5
335.01950	0.5
339.01593	29.0
340.02060	0.8
346.58557	0.5
353.03293	0.5
362.03226	3.8
363.01675	1.4
363.11951	0.4
381.02649	5.1
391.01263	1.1
409.02112	7.1
427.03177	0.9
427.19904	6.6
427.24695	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05504	18.4
56.28788	2.4
57.07055	8.0
67.05498	32.0
69.03434	2.5
69.07062	33.5
71.08603	2.7
79.05482	19.2
81.07054	64.1
82.07380	3.6
83.08604	17.1
85.02882	3.6
86.61538	2.3
91.05457	15.8
93.07040	49.1
95.04957	5.9
95.08600	100.0
97.06534	6.5
97.10153	10.7
105.07030	35.7
107.08583	69.5
107.09288	4.2
109.10143	70.8
111.08098	2.6
111.11694	3.6
117.07014	2.6
119.08572	49.7
121.10138	63.5
122.10400	3.1
123.08096	3.7
123.11707	33.5
123.88836	2.8
125.09620	5.6
127.11153	4.1
131.08533	8.8
133.10115	40.3
135.11671	51.4
136.69429	2.7
137.13242	16.9
143.08562	3.8
145.10144	15.7
147.04378	4.4
147.11685	33.8
149.13234	36.9
157.10121	6.5
157.68416	2.4
159.11696	20.2
161.13245	26.9
163.14819	15.3
171.11719	5.4
173.13240	14.2
175.14851	17.4
177.16418	10.6
179.14348	3.8
185.13235	3.6
187.14810	9.0
189.16382	17.8
191.17914	48.3
193.19540	3.9
201.16342	17.2
203.17946	26.5
205.15828	3.5
205.19525	6.7
207.17490	6.6
215.17947	10.7
217.19519	28.4
219.17574	3.1
219.21120	3.3
229.19606	4.4
229.48288	2.7
231.21027	7.7
243.21092	3.3
269.22711	3.0
271.24139	5.1
284.00742	3.0
407.36652	18.9
419.21405	2.5
425.37936	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.05494	1.7
56.05020	1.5
56.96557	0.9
57.03428	0.7
58.99577	0.6
60.04525	1.2
67.05486	3.8
68.05014	0.6
69.03416	1.4
69.07058	1.1
70.06585	13.3
71.04986	0.9
71.59419	0.8
72.08144	3.6
74.06073	0.8
76.02221	1.1
78.21251	0.6
79.05486	1.5
81.03387	1.9
81.07047	2.3
83.05006	0.6
83.06102	0.6
84.04477	2.2
84.08137	4.6
85.02914	4.0
86.09715	3.7
90.21872	0.6
91.05465	5.0
93.07031	2.2
94.06554	4.2
95.04966	2.3
95.06081	15.6
95.08605	1.1
96.04483	0.7
96.08114	2.5
97.02883	1.2
97.06525	2.2
98.06047	0.7
98.97576	1.7
99.05550	0.7
100.52861	0.6
105.00058	0.8
105.06979	0.6
107.04950	1.0
108.04457	1.0
108.08131	1.8
109.02814	0.7
109.05257	0.9
110.07117	1.0
110.09682	0.9
113.07130	9.1
116.98608	1.4
119.04937	1.4
119.08559	0.7
120.08093	2.3
121.06498	0.6
122.02717	8.4
122.06026	39.4
123.06781	1.0
124.07581	40.9
126.05509	1.5
127.03889	0.9
129.10248	2.7
134.06001	1.1
134.99712	0.9
136.07570	100.0
137.07870	1.2
138.09132	25.9
140.07065	1.1
146.02658	1.6
147.04395	2.5
149.09592	0.6
150.05490	18.2
152.07065	16.7
154.08632	1.2
156.04778	1.1
158.09668	0.9
164.07059	66.3
165.07477	1.1
166.08644	0.9
168.04759	1.1
168.06560	3.3
170.08133	2.2
171.77281	0.6
177.00623	0.6
177.05360	0.7
179.03383	2.8
182.08122	19.7
183.08434	0.8
185.09471	0.6
199.09006	1.2
214.12599	0.7
227.11740	1.9
228.06830	0.6
243.07980	0.6
245.09560	6.9
246.83784	0.6
257.09518	1.7
259.14404	1.3
264.12329	0.8
285.12134	0.6
287.13882	28.2
288.14148	0.9
305.14960	24.8
305.18396	1.1
306.15158	1.1
323.19638	6.8
345.12436	0.7
362.15311	0.9
363.13669	1.4
366.05707	1.5
380.16309	3.2
382.27045	15.1
384.06805	0.7
399.78683	0.6
408.16003	1.1
426.16983	25.5
426.25494	1.1
427.17923	1.1
430.35425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05502	21.9
56.12184	4.3
57.07076	9.3
58.41859	3.6
67.05489	25.6
69.07065	36.0
79.05500	9.2
81.07058	55.0
83.08626	27.2
91.05486	17.6
93.07026	40.5
95.04942	4.0
95.08604	100.0
97.10155	7.6
105.06416	5.4
105.07023	36.0
107.08585	47.4
109.10147	57.3
111.08089	4.5
111.69762	3.9
116.35050	4.3
117.06977	5.4
119.08572	36.3
121.10118	48.6
123.11703	32.4
127.11180	5.7
129.63463	4.1
131.08533	5.8
133.10109	29.9
135.11688	44.9
137.13254	18.2
145.10114	13.7
147.11646	28.2
149.13260	37.7
159.11693	12.8
161.13239	25.7
163.14832	12.8
171.11726	4.4
173.13277	11.0
175.14841	14.7
177.16379	11.0
187.14845	6.9
189.16394	18.9
191.17934	17.8
201.16399	10.7
203.17905	23.8
213.16440	7.7
215.17906	6.5
217.19464	27.9
229.19504	11.3
231.21045	7.7
257.22662	7.7
263.60690	4.5
269.22632	7.2
308.82373	4.3
337.37607	4.6
407.36688	16.5
425.28979	6.3
425.37842	65.3
436.74634	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.79973	4.2
55.05500	18.2
57.07058	8.4
66.28665	5.0
67.05499	19.6
69.07053	22.1
69.58932	37.7
76.46040	4.8
79.05489	14.6
81.07056	50.9
83.08608	14.3
91.05481	21.9
93.07045	47.1
93.88810	4.9
95.08600	75.2
105.07016	43.3
107.08589	52.8
109.10147	58.2
111.08053	10.5
119.08585	48.8
121.10122	65.2
123.11693	28.4
125.18250	5.0
131.08580	8.6
133.10117	49.0
135.11667	44.3
137.13277	9.6
145.10103	13.0
147.11670	44.3
149.13211	18.2
151.11140	8.9
159.11664	13.1
161.13303	30.2
163.14807	12.6
175.14795	15.3
189.16418	11.1
191.17921	31.5
201.16412	5.5
203.17970	100.0
205.19505	44.7
211.47029	4.5
217.19505	96.8
218.19592	5.0
221.19031	10.8
229.19543	7.8
285.25882	7.9
349.30182	5.2
365.98526	4.7
407.36588	26.2
421.50253	6.0
421.56897	4.5
425.37814	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05500	25.0
57.07050	12.7
62.35409	7.2
67.05487	25.3
69.07068	25.2
69.27380	64.5
69.27805	14.3
74.02984	6.4
76.12717	6.8
79.05486	26.5
81.07050	67.0
83.08617	22.3
91.05463	16.9
93.07040	57.6
95.08586	100.0
97.06557	11.0
97.10154	9.2
98.20721	16.6
105.07014	42.4
107.08582	71.5
109.10145	77.7
117.07040	10.1
119.08581	41.4
121.10157	59.5
123.11680	45.0
131.08534	10.2
133.10132	38.8
135.11708	56.9
137.13226	20.9
145.10101	29.4
147.11671	31.4
148.33461	7.3
148.34933	7.1
149.13281	37.5
159.11690	20.0
161.13235	18.0
163.14819	13.0
173.13223	14.1
175.14769	14.2
177.16347	10.8
187.14818	12.5
189.16420	18.3
191.17938	34.3
199.14694	6.8
201.16344	16.1
203.17908	33.9
205.19505	19.5
208.31078	6.8
215.17989	17.3
217.19534	26.1
229.19615	8.3
407.36609	30.1
425.37866	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05492	21.6
57.07061	10.6
64.08124	7.2
67.05494	29.9
69.07060	36.1
70.83224	6.7
70.91295	15.1
79.05486	13.4
81.07058	69.0
83.08607	24.0
86.32331	7.8
91.05460	17.6
93.07030	42.4
95.08606	100.0
102.74468	6.4
105.07021	28.4
107.08582	59.1
109.10162	76.5
110.26972	6.1
111.11658	7.8
115.18095	6.6
116.40020	6.8
119.08592	64.9
120.96524	6.1
121.10128	58.9
123.11736	32.3
131.08577	9.9
133.10126	47.9
135.11662	61.8
137.13248	21.5
145.10118	14.2
147.11674	39.8
149.13263	29.7
150.97415	7.1
157.10165	9.2
159.11665	16.1
160.47662	7.4
161.13272	35.1
163.14809	30.2
164.59872	6.9
173.13231	15.0
175.14784	20.5
177.16393	12.5
179.14285	8.1
187.14764	14.2
189.16444	43.1
191.17921	18.7
196.54543	6.2
201.16405	16.4
203.17963	24.3
205.19522	12.7
207.17445	43.0
215.17906	12.8
217.19551	39.4
229.19496	8.6
231.21196	8.0
243.21138	8.5
245.22665	8.2
254.07249	8.8
271.24216	14.1
371.74054	6.8
407.36581	29.8
425.22031	7.9
425.32376	9.8
425.37796	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33325	0.3
56.96550	0.5
57.03414	0.5
67.05493	0.8
67.71545	0.3
69.03414	0.7
69.07047	0.4
70.06583	6.7
70.17606	0.8
70.18005	0.6
72.08138	1.6
72.93780	0.4
79.05477	0.8
81.03417	0.5
81.07047	1.2
81.63481	0.3
84.08121	1.5
85.02888	0.7
86.09698	3.1
91.05468	0.8
93.07005	0.7
95.04969	0.6
95.08604	0.7
97.02863	0.4
98.06003	0.4
101.00873	1.2
101.17696	0.3
105.07016	0.8
107.08585	0.9
109.01796	0.4
109.10152	0.9
110.23199	0.4
113.96477	0.3
116.07042	0.5
119.01914	6.2
119.08588	1.3
120.08064	1.8
121.10136	0.7
127.03890	0.4
129.10191	0.7
131.01897	0.9
133.10161	0.5
135.07982	0.4
135.11690	0.5
136.07573	0.9
137.02972	0.8
143.01862	2.3
145.10112	0.4
147.04277	0.5
147.08124	0.5
159.11656	0.8
161.02954	3.7
161.13249	0.5
164.07047	0.6
169.11847	0.3
169.13367	1.0
173.02974	0.4
177.12784	0.5
180.06334	0.6
180.10118	0.4
181.07060	0.5
181.72612	0.4
183.14902	0.8
185.04221	0.9
187.04550	0.4
187.11195	0.4
196.05920	0.5
197.12845	0.5
198.07378	0.6
199.08134	1.1
201.09712	0.4
209.06609	0.6
211.14432	1.3
215.14095	0.4
222.07375	0.6
223.08224	1.0
224.08867	0.7
227.07486	0.7
235.11635	0.6
237.13356	1.2
240.01944	0.4
243.12239	0.8
253.12836	0.6
255.14386	2.4
261.13376	0.9
262.10535	0.4
263.12646	4.9
267.00989	0.4
268.01398	0.8
269.08676	0.9
277.13031	0.4
279.14410	2.9
281.12305	3.9
297.15466	0.8
299.13498	1.8
305.12250	4.3
310.21179	0.7
317.12320	0.4
323.13364	24.5
324.13635	1.2
341.14545	1.8
346.14960	1.3
353.14334	0.9
365.14572	1.1
425.17657	100.0
426.17828	4.7
443.17633	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	425.1052
Annotation	HPF
Peak:m/z	Relative Intensity
50.56473	0.7
56.05025	2.6
56.96554	1.7
59.06121	0.8
60.04514	2.3
60.73902	0.9
67.05493	1.0
69.03448	1.1
69.83896	4.1
70.06587	13.6
72.08158	5.3
74.06065	3.2
79.05497	0.8
81.03413	0.9
81.07082	0.9
83.04971	0.9
84.04492	4.3
84.08146	10.2
85.02895	1.7
85.07678	0.7
86.09690	5.9
87.05590	1.3
87.10026	1.1
87.42239	0.8
88.03977	1.0
91.05469	3.0
96.77479	0.7
98.06063	0.9
98.21526	0.9
102.05499	1.1
103.63462	0.8
107.04934	2.9
108.84525	0.7
110.07159	4.4
116.07088	0.9
119.04945	2.5
119.12324	0.7
120.08105	6.7
121.08458	1.4
124.07572	0.9
127.03880	1.3
129.10268	5.0
133.06494	1.2
136.07562	9.4
137.07907	2.0
147.03282	1.3
147.04372	7.8
147.08028	1.5
162.09155	1.0
202.28311	0.9
233.12920	1.0
249.07349	11.4
249.09660	1.2
249.16119	1.1
249.85573	0.7
250.16325	1.9
267.69260	0.8
268.97522	1.2
291.08392	1.1
304.13812	0.8
365.05670	0.9
371.16266	0.8
407.08792	0.9
425.10535	100.0
425.17813	8.9
426.11026	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.9
69.53904	4.2
69.54333	2.4
70.06566	3.6
77.00888	1.1
80.27132	0.8
82.99864	2.3
97.02850	1.0
101.00869	12.9
109.02866	1.0
113.00851	1.7
119.01906	35.6
119.98419	0.8
127.02422	2.4
131.01901	11.4
133.03419	1.8
137.02959	5.7
139.02322	1.1
143.01884	29.7
145.03455	15.4
147.01366	1.4
149.02933	2.3
155.01886	13.1
157.03461	7.3
161.02943	70.5
162.03026	1.3
163.04501	2.9
167.01872	8.0
169.03413	2.8
171.05020	2.9
173.02937	26.2
175.04521	2.6
179.01837	2.6
179.03975	1.4
184.04524	1.9
185.02934	45.4
186.03217	1.1
187.04533	7.2
189.06108	0.8
191.03979	7.4
191.44218	0.8
196.04549	0.8
197.02959	16.9
201.06107	0.7
203.03983	21.2
204.04178	1.3
205.05499	1.0
208.04495	1.2
209.02904	1.4
215.03973	11.5
219.07079	1.6
221.04985	2.7
227.03961	8.4
233.05141	1.0
245.05048	100.0
246.05302	3.3
257.05078	5.7
263.06094	29.4
264.06305	1.2
275.06067	13.2
286.96832	0.8
289.07819	1.4
293.07254	3.9
293.09979	0.8
305.07187	7.9
307.08606	1.2
335.08286	2.1
365.09213	4.2
383.10522	1.1
425.11496	4.3
438.93765	0.8
448.37100	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	424.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92440	0.5
55.05504	3.0
56.96565	2.7
57.03446	0.7
57.07070	0.7
59.04999	0.7
61.36055	0.6
67.05499	10.8
68.05836	3.1
69.07058	2.7
71.04961	0.6
71.08629	6.6
71.60412	0.8
72.08115	1.0
78.15716	0.6
78.54362	0.5
79.05492	4.0
80.05773	0.7
81.07056	10.3
82.07373	2.0
83.04956	1.1
83.08605	1.8
84.08145	1.4
85.06552	0.7
86.06044	3.3
86.09681	1.0
91.05472	4.3
92.05789	1.0
93.07043	4.1
94.07337	1.2
95.04974	1.0
95.08586	3.3
96.08118	1.9
96.08965	0.9
97.06526	1.8
98.06031	0.8
98.09676	3.5
99.08070	2.7
104.10735	1.0
105.07022	4.7
106.07325	0.7
106.55826	0.6
107.08587	3.3
108.08121	1.4
108.08884	0.8
109.10160	5.8
110.10484	2.4
111.08092	0.7
116.10719	15.3
117.07021	0.6
119.08576	3.1
121.10134	2.5
121.76885	0.6
122.09652	1.2
123.11671	1.8
124.07642	0.9
126.09071	0.5
129.07019	0.8
131.08511	1.1
133.10133	1.6
135.11691	0.8
143.10652	1.6
147.11667	4.5
149.13226	2.0
150.13634	0.8
150.59698	0.6
151.53816	0.6
154.15918	3.3
157.10120	2.2
165.12724	1.3
166.15887	1.8
168.17465	1.1
169.01559	0.5
173.11769	1.5
175.11145	1.0
178.15891	1.6
193.12239	1.3
196.16965	9.8
214.18007	100.0
215.18312	2.2
229.14386	1.7
254.17599	0.6
255.15970	2.8
299.66965	0.6
303.04919	0.6
308.22165	0.6
326.23306	6.0
329.14240	2.0
347.15201	6.2
348.15643	1.0
365.16373	4.2
370.16833	0.9
406.29517	1.7
418.40555	0.6
424.31308	11.7
424.36615	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	424.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01868	10.8
55.05494	11.6
67.05507	6.6
69.03425	11.8
69.07063	11.4
70.06580	12.6
71.05003	8.4
71.44609	5.4
71.66659	3.3
72.08129	5.2
77.61059	2.8
79.05489	13.0
81.03412	23.9
81.07058	27.1
81.49300	3.1
83.04988	7.5
84.04481	5.9
84.08134	14.6
85.02899	9.2
85.06535	8.0
86.09692	10.6
91.05493	11.2
93.07034	24.9
95.04952	10.9
95.08599	14.3
97.02863	6.0
97.06525	20.3
98.70690	3.6
99.04440	11.7
105.07020	26.8
107.08578	40.9
109.02880	25.0
109.06506	13.3
111.08079	6.2
111.53967	3.2
113.05946	5.9
119.08591	7.6
120.08105	4.7
121.06467	10.3
121.10121	21.9
123.08076	11.0
124.07534	4.3
127.03891	14.9
129.52805	3.2
133.10085	3.4
135.11671	9.6
136.07556	28.4
137.07904	6.5
145.10139	23.8
147.04382	4.7
147.11665	8.1
149.09627	11.1
151.07521	7.6
155.92778	3.5
163.11186	50.4
164.07057	12.3
165.07463	9.8
167.10623	21.4
169.08577	90.9
173.09642	8.7
175.11128	4.1
181.12204	12.9
185.11726	4.1
191.10648	26.6
209.11743	28.9
227.12762	100.0
228.13142	4.1
262.10864	9.6
300.16367	3.2
353.15912	42.7
371.16910	19.5
388.19388	5.6
424.22928	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54177	2.3
53.03925	3.7
55.01868	8.1
55.05509	7.4
56.73925	2.1
56.96556	3.2
57.03436	4.5
65.03928	3.5
67.05490	8.7
69.03417	12.0
69.07068	8.1
69.11223	2.5
69.73263	16.7
70.06601	18.8
71.04977	3.5
72.08144	6.8
74.06114	2.7
78.53239	1.9
79.05469	12.9
81.03414	11.1
81.07049	15.8
83.05006	4.2
83.08640	3.9
84.04495	5.3
84.08151	7.6
85.02884	5.9
85.06541	4.6
86.09716	14.1
91.05468	6.5
93.07028	28.5
95.04963	7.0
95.08608	20.8
97.02890	9.4
97.06522	11.6
98.20692	2.3
99.04430	6.5
100.70816	2.6
105.07034	13.8
107.04950	5.8
107.08599	31.1
109.02879	19.8
109.06522	7.0
111.08020	3.4
113.06011	3.6
117.07018	4.6
119.08571	6.5
120.08100	4.8
121.06483	8.2
121.10130	14.1
123.08090	5.3
125.05988	3.7
127.03908	15.9
131.08549	2.7
135.08049	3.9
135.11703	19.4
136.07613	5.0
137.05881	2.8
143.07191	2.3
145.10118	17.6
149.01154	2.5
149.09612	6.1
151.07510	4.5
163.11156	47.8
167.10683	11.2
169.08586	38.9
169.09898	3.6
173.09570	5.2
181.12231	12.1
185.11787	2.5
191.10684	13.7
209.11595	13.4
227.10484	4.8
227.12761	100.0
236.78989	2.7
245.13686	2.5
272.04590	3.3
282.71207	2.4
283.15384	47.1
338.09122	4.1
353.15903	17.3
371.16901	9.8
380.10342	32.0
381.10611	3.3
424.09277	73.2
424.23044	7.8
425.09290	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3619
Annotation	glochidone
Peak:m/z	Relative Intensity
50.74524	0.7
55.05509	10.0
56.96553	1.9
57.03430	2.7
57.07057	3.0
59.05004	1.0
61.02913	2.8
65.03946	1.4
67.05499	33.8
68.05825	1.2
69.03419	2.0
69.07059	13.3
70.06599	1.1
70.28253	2.8
71.04985	2.9
79.05492	11.5
81.03411	2.5
81.06574	1.8
81.07051	32.7
82.07378	1.4
83.04987	1.9
83.08613	7.7
85.02892	1.5
85.06544	2.2
86.06070	1.2
91.03921	1.2
91.05471	11.3
93.07034	17.5
95.04965	3.4
95.08598	25.8
97.02898	1.3
97.06526	1.9
97.10145	2.3
98.97564	0.8
99.08096	3.6
105.06377	1.2
105.07021	15.1
107.04975	0.8
107.08588	22.5
107.09290	1.6
109.06501	2.4
109.10147	34.5
110.10480	1.0
111.08082	3.0
111.11731	1.0
116.98514	0.7
117.07029	3.9
119.04948	1.5
119.08559	14.4
121.06485	2.6
121.10134	21.1
123.08087	2.0
123.11699	24.8
125.09629	1.4
127.03905	1.2
128.06224	0.9
129.06990	2.4
131.08563	7.9
133.10118	17.8
135.08067	3.2
135.11679	13.2
137.09618	4.2
137.13284	2.7
139.11125	1.6
142.07809	1.3
143.08553	3.0
145.06483	1.2
145.10112	7.3
147.08058	0.9
147.11685	12.2
149.02280	2.0
149.09593	2.2
149.13248	13.4
151.11172	5.2
153.01845	1.2
155.08562	2.1
155.10637	1.9
156.77594	0.9
157.10114	6.1
159.08014	1.0
159.11690	10.5
160.12080	0.9
161.09616	2.0
161.13237	7.7
163.11174	1.9
163.14807	3.2
165.12744	1.2
166.85783	1.0
169.10173	2.3
171.07997	1.3
171.11708	3.1
172.12335	1.0
173.09607	5.2
173.11763	3.6
173.13245	5.7
174.13747	0.9
175.11227	3.4
175.14832	3.7
177.12784	1.6
177.16357	1.9
179.14276	2.0
181.10085	1.3
183.11688	2.4
184.07356	1.3
185.13257	2.6
187.14856	2.7
189.00421	0.8
189.16353	4.0
191.16380	0.8
191.17914	4.5
193.04971	3.0
193.12350	0.9
194.05353	1.9
195.11751	1.4
195.13757	1.7
197.13274	1.7
199.14862	4.5
201.16371	8.9
203.14334	1.1
203.17928	6.1
205.19518	2.1
209.13240	1.5
211.14835	1.6
213.12692	1.1
213.16412	2.3
214.18033	2.9
215.17949	3.4
217.15971	1.2
217.19479	2.2
219.17468	1.8
225.16444	1.5
227.14377	1.3
227.17876	1.1
229.07523	1.6
229.19588	1.1
237.16443	1.1
239.14462	0.9
239.17691	1.1
241.07513	1.1
241.19522	0.9
243.21039	1.2
247.08647	1.7
249.16396	1.4
255.21101	1.2
257.22607	1.6
257.26724	0.8
259.08325	1.0
263.17941	1.0
265.19626	1.0
267.09082	1.1
267.17514	1.7
267.21054	2.3
268.18253	1.1
269.19070	2.2
269.22586	1.5
279.17468	1.0
285.10300	2.7
311.20071	1.6
326.23279	2.1
331.26190	0.9
354.32047	0.8
377.28433	3.1
382.46805	0.7
387.26538	1.9
395.25739	1.5
405.27859	5.2
405.35190	3.2
415.22888	0.9
423.23569	2.3
423.28729	16.8
423.36176	100.0
424.29544	2.7
424.36542	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	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.0
55.05502	14.7
57.03399	1.4
57.07063	3.3
58.98414	1.2
59.04996	6.6
63.33375	1.4
67.05166	1.8
67.05499	20.5
69.03405	3.6
69.07061	49.1
71.04982	2.0
71.08612	1.5
79.05488	13.9
81.07045	35.4
83.08611	12.0
85.06532	2.4
91.05477	11.5
93.07038	26.0
95.04980	1.6
95.08595	38.7
97.06500	3.2
97.10165	3.9
98.20699	3.3
99.08070	1.9
105.07014	16.0
107.08582	32.2
109.06506	2.6
109.10139	30.0
111.08083	4.8
111.11715	4.0
113.00002	2.6
117.07009	6.0
119.08578	23.9
121.10132	25.8
123.08075	4.5
123.11683	14.2
125.09610	3.9
129.06990	2.9
131.08556	12.3
133.10106	17.0
135.11662	15.2
137.13239	10.6
137.22115	1.7
139.11214	2.9
142.07750	1.8
143.08551	11.0
144.09312	2.7
145.10107	28.0
147.11641	13.6
149.13248	15.6
156.09279	2.0
157.10112	16.6
158.10855	2.5
159.11673	30.2
161.13231	8.8
163.14816	7.2
165.12735	1.8
169.10086	3.9
171.11671	12.5
172.12318	1.4
173.13252	12.2
175.14819	14.4
177.16385	7.3
179.14349	1.9
181.19769	1.5
183.11682	6.9
185.13223	13.1
187.14821	19.2
189.16370	6.8
191.17924	3.3
197.13231	4.2
198.13954	1.6
199.14760	11.2
201.16362	31.1
203.17967	2.9
211.14780	9.4
213.16359	14.9
215.17924	9.5
217.19490	3.5
224.15494	1.7
225.16333	5.6
226.17102	4.6
227.17908	17.9
229.19495	4.2
239.17854	3.8
241.19536	2.5
251.17899	1.3
253.19502	7.2
255.21078	7.8
257.22668	9.7
267.21069	4.1
269.22632	35.6
281.22577	3.2
331.26300	2.3
405.35196	10.1
423.31332	4.7
423.36139	100.0
424.36343	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	423.3617
Annotation	glochidone
Peak:m/z	Relative Intensity
55.01878	1.0
55.05506	11.0
56.96549	1.3
57.03425	1.7
57.07066	3.1
59.04985	1.5
65.03909	1.0
67.05499	32.0
68.05817	1.0
69.03413	1.9
69.07056	9.2
71.04975	1.7
71.18787	1.6
79.05489	10.8
81.03409	1.4
81.07052	26.7
82.43658	0.7
83.04973	2.1
83.08604	6.5
85.02893	1.3
85.06528	1.5
91.05473	9.2
93.07038	17.4
95.04972	4.4
95.08599	23.7
96.08940	1.3
97.06522	1.8
97.10164	2.4
99.08101	0.9
105.07030	14.0
107.08587	20.3
109.06494	2.9
109.10152	28.9
109.10914	1.4
111.08070	1.7
116.79443	0.8
117.06998	2.5
119.08572	13.8
121.06467	1.4
121.10131	17.2
123.08065	3.9
123.11695	18.9
125.09611	1.2
129.06972	0.8
131.08609	5.3
133.10117	14.9
135.08049	2.1
135.11668	11.7
137.09583	2.0
137.13232	2.6
143.08537	1.8
145.10115	6.3
147.11674	10.1
149.13260	12.7
151.11162	4.5
151.14825	1.3
157.10130	1.5
159.11676	8.6
161.13242	7.6
163.11050	1.0
163.14825	4.3
165.12715	1.4
169.10130	0.9
171.11693	2.5
173.11734	4.3
173.13248	3.5
175.11198	1.4
175.14815	3.9
177.12752	2.3
177.16371	2.6
179.14337	4.4
185.13287	1.7
187.14793	1.7
189.16382	3.0
191.17931	3.6
195.13753	1.5
199.14835	3.7
201.16376	6.2
203.17938	5.2
205.19458	1.3
213.16362	1.7
215.14473	0.9
215.17934	2.8
217.15965	1.6
217.19446	2.2
219.17470	1.3
219.20927	1.0
227.17888	1.5
236.84734	1.0
241.19534	0.9
255.20995	1.1
257.22672	1.4
300.93533	0.9
306.97327	0.9
331.26331	2.4
339.26526	0.9
349.27277	1.2
351.20285	1.2
405.35092	2.7
423.27689	6.5
423.31741	3.6
423.36188	100.0
424.27481	1.3
424.36652	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.1
56.96563	2.4
57.03421	4.4
57.07074	5.0
61.84732	1.9
67.05496	17.3
68.87625	1.9
69.03442	2.1
69.07066	12.4
69.36763	8.5
69.37187	10.8
71.08620	6.0
74.51864	2.0
79.05482	10.6
81.03415	5.7
81.07052	23.0
83.08620	2.1
85.06556	3.4
89.88347	2.0
91.05463	8.2
91.52779	2.0
93.07047	17.7
95.08591	20.2
97.06506	3.6
98.65060	1.9
99.08110	2.9
99.47327	2.0
104.03278	2.0
105.07041	9.3
107.08594	11.2
109.06513	19.2
109.10157	15.4
115.37606	1.9
115.94963	1.9
119.08564	11.6
121.10143	8.6
123.08057	38.6
123.11715	5.6
131.08551	4.5
133.10144	5.9
135.08060	7.9
135.11708	8.0
137.09624	2.5
143.08586	2.0
145.10129	8.2
147.11708	8.0
149.13246	5.1
152.39822	2.1
155.87300	1.9
157.10132	2.9
159.11768	4.4
161.09575	2.0
161.13309	3.9
175.14922	3.1
179.12720	4.8
179.14304	100.0
193.15918	2.9
201.16441	3.5
205.15843	2.6
215.18031	2.4
275.19907	2.7
280.39539	2.0
331.26343	38.7
332.27078	2.4
334.46100	2.5
349.27322	10.4
367.24905	2.3
405.34912	2.2
423.31152	99.9
423.36221	9.9
424.31668	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	423.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
53.11217	0.5
55.01836	1.6
55.05507	7.7
56.05809	0.6
57.03440	2.9
57.07069	5.3
59.04984	0.6
65.03915	0.7
66.66480	0.5
67.05499	21.4
69.03401	1.1
69.07065	8.4
69.93396	3.1
71.04961	1.8
71.08621	4.7
75.04463	0.6
79.05487	10.7
81.03385	1.3
81.07052	18.9
83.04959	1.7
83.08611	4.9
85.06521	3.7
91.05465	6.9
93.06484	0.8
93.07037	14.5
95.04956	2.5
95.08601	16.7
96.58621	0.5
97.02887	3.5
97.06529	3.3
97.10144	1.4
99.04416	1.8
99.08093	2.5
100.82367	0.4
105.07026	8.5
107.04929	0.6
107.08583	10.9
109.02818	0.5
109.06510	19.7
109.10151	11.7
111.08049	2.2
112.99947	0.5
117.06995	1.9
119.08571	9.4
121.06439	1.1
121.10142	9.3
122.07257	1.6
122.73698	0.5
123.08057	37.7
123.11695	3.0
125.09623	0.7
127.03897	0.8
129.06961	0.8
131.08551	3.5
133.10129	6.0
135.07094	0.8
135.08044	8.2
135.11668	3.8
137.09578	2.0
137.13176	1.3
139.11169	0.8
142.07849	0.5
143.08524	1.6
144.09331	0.8
145.10094	4.1
147.08025	0.7
147.11694	4.2
149.09592	2.6
149.13240	3.4
151.11203	0.8
151.14746	0.9
155.10686	0.7
157.06453	0.5
157.10101	1.4
159.11691	3.6
161.09612	0.7
161.13234	2.3
163.11244	1.0
163.14784	1.7
165.12727	1.5
167.14310	1.5
169.26471	0.7
171.11641	0.7
173.11713	2.2
173.13251	2.3
175.14844	1.4
177.12740	1.8
177.16275	0.5
179.14291	84.8
180.14650	3.6
185.13298	0.7
187.14851	1.0
189.16351	1.4
191.14252	1.5
191.17949	1.7
193.15900	2.7
197.13191	0.9
201.16356	1.7
203.18005	1.4
205.15942	3.1
217.19412	0.7
219.17426	0.7
219.57959	0.6
233.18982	1.9
243.20955	0.8
261.22098	1.3
263.20032	1.1
275.20062	1.7
289.21744	0.6
289.25235	1.1
293.21027	1.3
303.26785	2.4
313.25308	0.6
331.26285	35.3
332.26578	1.5
349.27316	8.8
367.24741	1.1
405.30389	2.9
405.35150	1.0
423.31094	100.0
423.36008	6.2
424.31528	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
54.92302	2.1
55.01862	4.4
55.05507	17.2
55.94799	1.8
57.03426	4.4
57.07062	4.4
57.22039	2.2
59.04980	3.1
61.85097	2.2
65.03928	3.5
67.05499	100.0
69.03427	15.9
69.07063	20.2
69.54025	2.1
70.15761	8.3
71.04979	6.8
73.02901	3.0
75.22565	2.2
76.52686	2.3
79.05486	38.9
81.03410	22.5
81.07053	66.6
81.14257	2.7
83.04974	6.6
83.08597	12.7
85.02883	11.1
85.06531	3.5
91.05481	32.9
93.07039	47.1
95.04961	8.6
95.08597	37.1
97.02860	5.8
97.06527	4.1
97.10179	2.8
99.04456	5.1
105.07020	27.9
107.08585	28.2
109.02905	2.8
109.06536	4.8
109.09586	2.1
109.10149	56.4
111.04428	3.0
111.08068	6.1
117.06990	11.5
119.08570	23.5
121.06487	3.3
121.10122	21.7
123.08047	5.3
123.11671	7.6
126.83479	2.2
129.06990	4.3
131.08537	15.4
133.10106	17.1
135.08063	4.8
135.11665	15.2
137.09612	4.7
139.11200	2.2
141.06966	2.6
143.08556	7.5
145.10118	11.2
147.08014	3.9
147.11603	10.9
149.09651	2.6
149.13272	16.6
149.80916	2.0
151.07545	3.1
151.11162	2.8
155.10619	3.0
157.10100	5.9
159.11638	12.2
161.13264	5.1
163.11163	3.7
169.10095	2.2
171.11652	2.9
173.11702	12.4
173.13286	6.7
177.12701	2.8
179.14236	3.5
183.11607	3.0
185.13348	3.2
187.14777	3.5
189.12758	2.4
195.11684	3.1
195.13693	5.2
197.13232	2.2
201.16263	2.5
213.12784	2.6
242.77013	2.1
243.21181	2.4
259.20599	6.6
261.22180	12.5
277.21634	4.9
282.18564	2.2
289.21329	2.1
303.23154	3.9
315.23135	3.1
326.94559	2.4
331.26224	3.2
351.23178	2.8
369.24139	7.9
387.25211	7.5
405.26422	6.4
423.27216	38.7
423.36481	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96585	1.7
53.03939	3.9
55.01857	3.0
55.05506	20.9
56.96552	3.7
57.03430	3.7
57.07046	2.6
59.04986	4.3
61.02923	2.8
65.03939	3.1
67.05499	100.0
69.03407	7.2
69.03766	1.5
69.06705	2.4
69.07063	20.1
69.49428	5.5
69.49848	9.0
71.04350	1.5
71.04982	5.9
73.02946	1.8
79.05478	30.4
81.03419	9.8
81.07050	54.2
81.48748	1.6
83.04972	4.7
83.08601	12.5
85.02879	4.1
85.06541	5.9
90.40380	1.5
91.05470	28.5
92.77834	1.7
93.07034	44.0
95.04964	8.1
95.08592	31.5
97.02850	3.0
97.06505	4.9
97.10155	3.3
99.04439	3.4
99.08081	3.3
100.18290	1.8
105.07031	18.3
107.04945	2.9
107.08584	22.6
109.06496	3.7
109.10141	54.8
111.04385	2.8
111.08051	5.2
117.07021	8.9
119.08575	19.8
121.06498	2.7
121.10120	18.7
123.08048	4.4
123.11678	6.3
123.62654	2.1
127.03902	1.9
128.06207	1.9
129.05492	2.1
129.07005	3.0
131.08554	11.8
133.10109	10.8
135.08084	2.1
135.11693	12.3
137.09613	3.2
137.13272	2.7
139.11201	2.4
143.08560	5.6
145.10144	11.8
147.11703	9.1
149.13214	17.2
151.11163	3.3
155.10645	1.7
157.10109	5.7
159.11716	12.9
161.09624	2.6
161.13254	7.2
163.14700	2.4
169.10179	3.3
171.11705	5.8
173.11725	15.8
173.13248	4.9
175.11171	2.7
175.14833	2.0
177.12726	5.0
179.14305	3.2
187.14793	3.7
193.12259	2.4
195.13780	6.6
199.14847	2.8
201.16296	2.5
227.17937	1.8
241.19432	2.0
247.13142	1.8
259.20511	2.1
261.22171	5.6
261.50528	2.2
276.75446	1.6
285.22009	2.5
303.23108	2.4
315.23123	2.0
347.15298	5.8
365.16379	4.0
369.24219	5.3
387.25366	2.0
405.26178	6.0
409.78729	1.8
423.27383	29.8
423.35757	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	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.6
51.07539	1.4
53.03933	6.1
55.01853	5.7
55.05504	26.0
57.03440	9.8
57.07066	5.5
59.04997	2.5
65.03934	5.8
67.05498	100.0
69.03423	25.2
69.06712	2.3
69.07063	27.3
69.93027	1.5
71.01348	2.7
71.04974	7.4
71.60766	3.0
73.02919	2.8
79.05488	60.0
81.03413	34.1
81.07050	87.2
83.04980	8.9
83.08622	15.6
85.02899	12.7
85.06513	3.7
91.05473	53.7
93.07034	73.1
95.04961	17.1
95.08599	59.3
97.02365	1.7
97.02863	9.1
97.06525	9.2
97.10160	4.9
99.04450	7.1
99.08089	3.8
103.03939	2.9
103.05452	2.6
105.07020	47.1
107.04987	4.1
107.08585	47.6
109.02868	6.1
109.06494	9.5
109.10144	48.0
111.04433	6.4
111.08076	4.1
111.11709	2.3
115.05367	1.7
117.06999	22.6
119.08567	40.3
121.06529	7.9
121.10121	32.1
123.08051	10.5
123.11714	9.9
125.09593	3.8
127.03899	4.7
129.05466	4.1
129.06992	10.2
130.07730	2.0
131.08568	29.8
133.06491	5.1
133.10112	33.5
135.08067	6.9
135.11684	22.7
137.06010	1.6
137.09590	4.2
137.13174	2.1
139.11183	3.5
141.07024	3.9
142.07813	2.6
143.08551	11.9
145.04956	1.7
145.06424	3.7
145.10098	21.8
147.08017	3.4
147.11696	19.3
149.09625	4.7
149.13242	17.1
151.11110	2.1
153.09125	1.8
155.08556	3.9
157.10129	10.8
159.08064	3.0
159.11667	23.9
161.09610	4.5
161.13264	13.8
163.11151	3.3
163.14847	3.0
167.08493	2.8
169.10124	6.0
171.07988	2.1
171.11646	10.0
173.09546	2.0
173.11723	7.3
173.13246	15.7
175.11206	2.5
175.14835	6.7
177.12703	4.6
179.14362	3.1
181.10112	2.9
183.11717	5.3
185.09616	2.8
185.13190	8.9
187.11189	3.7
187.14784	7.9
189.16328	2.5
195.11758	3.1
195.13777	3.9
197.13217	3.9
199.11185	2.4
199.14833	5.7
201.12706	2.0
201.16400	5.3
203.14336	1.8
203.17888	2.7
205.12341	2.0
207.11617	1.8
207.13783	1.7
209.13269	2.9
213.12810	1.7
213.16377	4.5
215.14349	2.1
217.19571	2.2
219.17365	2.8
227.14288	2.2
241.19534	4.9
243.21010	5.9
249.14833	3.2
255.20900	2.1
259.20551	11.9
261.22058	18.3
271.20743	2.3
273.22025	4.5
275.20132	2.6
275.23642	2.5
277.13980	2.1
277.21652	4.5
285.21826	1.8
289.21561	5.3
291.23135	4.7
301.21552	3.0
303.23148	11.3
313.21432	1.9
315.23087	4.7
319.22507	2.9
323.23654	3.2
327.23245	2.2
331.22617	4.8
331.26447	2.7
341.24640	3.4
345.24210	3.2
351.23297	5.1
369.24240	15.5
387.25430	13.7
402.30112	1.8
405.26364	17.0
423.27032	21.7
423.32059	2.0
423.36224	6.4
428.34918	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	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.7
55.05501	6.5
58.99585	9.8
60.92143	2.7
61.01139	7.0
67.05521	2.3
68.05013	2.9
69.03414	3.9
69.07088	2.3
70.06590	25.2
72.04525	11.5
72.08152	38.0
73.02914	3.2
76.02232	11.7
78.03783	18.8
81.03438	3.5
81.07050	3.3
82.06583	2.2
83.06118	2.9
84.04504	8.9
84.08137	13.6
85.02890	12.0
86.09708	15.5
86.99020	3.2
88.02212	6.6
91.05455	3.2
95.04933	2.6
95.08598	10.8
97.06548	4.9
99.04448	6.8
99.05537	3.8
100.02213	5.7
102.03763	26.4
102.05486	3.3
103.02188	3.2
103.03938	19.1
105.00070	4.1
105.01843	3.4
107.63337	2.3
108.04463	2.6
108.28307	2.1
109.02914	3.2
110.07156	2.8
112.07565	3.2
112.46483	2.1
113.06018	2.5
114.03775	4.9
120.04802	8.0
120.08086	32.9
124.07677	2.6
126.05508	21.9
127.03894	8.5
129.10265	7.8
131.06346	13.1
132.04807	12.2
136.07605	11.3
141.09081	2.8
142.08603	5.1
146.02737	7.0
149.07434	56.0
152.07121	3.3
154.08514	2.7
159.05852	3.6
159.10199	5.4
174.09212	5.9
175.09474	7.9
177.05438	3.0
177.10217	11.1
180.06548	15.7
184.09700	3.6
186.09073	3.6
196.07593	3.6
198.07570	5.5
199.09554	4.1
201.12376	3.7
205.09752	9.8
213.10214	8.9
213.12187	3.1
214.08682	5.2
214.10553	4.2
215.11678	3.3
219.13437	3.8
224.06786	2.4
231.11462	6.2
236.11055	4.9
241.09608	11.5
242.08028	6.4
242.10075	18.4
243.11259	8.7
244.11633	15.8
255.11314	3.7
256.11551	3.6
258.12222	3.5
259.10526	11.7
260.08823	3.0
260.11292	19.0
283.10577	3.2
284.08917	3.5
284.11569	4.0
285.12167	5.0
286.12662	11.2
293.11661	100.0
301.11774	9.2
302.12613	20.2
304.13647	3.1
317.13455	5.5
318.14093	16.4
319.13019	3.1
320.12988	4.5
327.09769	3.3
363.10315	9.3
405.12183	34.4
405.17038	24.3
406.11829	4.6
423.14026	59.9
424.13947	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	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.05513	28.8
57.03428	9.6
57.07071	7.3
67.05502	100.0
69.03425	29.4
69.07072	35.0
69.27804	16.5
69.28225	25.6
71.04975	9.5
71.08617	5.0
76.85336	3.9
79.05489	62.3
81.03416	26.4
81.07054	90.5
83.04979	14.4
83.08604	14.9
85.02891	13.4
85.06538	9.2
91.05474	51.0
93.07047	72.4
95.04960	17.9
95.08601	62.2
97.02880	11.2
97.06527	13.4
97.10187	5.0
97.35132	4.4
99.04458	5.9
105.07027	45.1
106.01417	4.5
107.04924	5.4
107.08591	38.2
109.02891	8.7
109.06536	25.7
109.10149	40.0
111.08067	8.2
117.07012	18.7
119.08590	33.7
121.06535	7.1
121.10120	34.2
122.07312	3.8
123.08061	36.8
123.11688	7.2
125.09614	6.0
127.03863	6.9
129.06972	9.4
131.08566	29.9
133.10115	27.4
135.08054	11.0
135.11711	25.5
137.09560	5.2
142.07835	5.8
143.08542	13.3
145.06535	3.8
145.10115	23.8
147.08023	5.9
147.11731	20.9
149.09612	10.2
149.13254	16.7
154.07726	5.8
155.08595	6.1
157.10095	9.1
159.08066	6.9
159.11684	20.2
161.13261	10.4
163.11313	4.4
163.14850	8.1
167.10590	5.9
169.10071	6.9
171.11778	9.1
171.61621	3.9
173.09756	4.3
173.11810	8.4
173.13268	13.6
175.14787	5.8
179.14301	57.7
185.13254	6.6
195.13702	4.8
197.13326	5.2
199.14764	4.6
213.16571	4.0
259.20663	8.9
261.22174	17.4
277.21637	5.9
317.17438	4.6
331.26358	29.7
341.24634	5.4
349.27396	7.8
369.24344	19.6
387.25192	11.8
405.26227	12.5
423.31747	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.5
55.01860	0.6
55.05493	1.5
56.05042	0.7
58.84177	0.5
60.04514	1.1
69.03413	1.5
69.07058	1.1
70.06590	7.4
71.60523	0.9
71.60891	0.6
72.08152	3.7
72.93766	0.8
74.06058	0.7
79.05487	1.4
81.03416	1.5
81.07037	1.5
84.04505	1.4
84.08129	3.6
85.02898	1.9
86.09698	5.3
91.05467	4.3
93.07008	1.0
95.04945	0.9
95.08599	0.7
96.04491	0.5
97.02882	1.3
97.06490	0.7
99.04405	0.6
101.00861	1.4
103.05454	0.6
105.07030	1.8
107.04934	0.8
107.08585	2.0
107.25394	0.5
109.02823	0.6
109.06518	0.7
110.07100	0.7
119.01910	7.0
119.04919	0.7
119.08569	1.7
120.08092	6.4
122.06066	0.7
123.04458	0.5
123.08047	1.1
124.03925	0.9
124.07580	0.6
127.03916	0.7
129.10217	1.7
131.01897	0.9
131.08624	0.8
132.10159	0.6
133.10063	0.9
135.07986	0.8
136.07562	1.3
137.03000	1.0
143.01880	4.2
143.11826	0.6
145.10086	0.7
146.97385	2.5
147.04453	0.9
159.11693	0.6
161.02963	7.7
161.09607	0.5
163.02014	0.9
164.98512	1.0
164.99977	0.8
165.07047	0.6
175.11195	0.9
187.04568	0.6
197.08055	0.6
203.05255	23.5
207.11354	0.9
211.07950	0.5
221.06258	0.6
222.07349	0.8
222.58380	0.5
223.08260	1.0
226.15224	0.6
235.08153	0.5
235.11922	0.5
239.01762	0.8
243.09911	44.0
244.10222	1.2
253.12927	1.4
259.11722	0.8
260.09277	1.1
261.09311	1.4
261.11139	0.9
265.01642	2.6
267.01071	0.9
268.08072	0.9
275.10956	0.6
277.12750	1.9
279.10745	1.2
297.11993	0.7
303.10745	10.2
304.11069	1.2
321.11801	15.5
322.12018	1.0
333.12027	0.6
335.02173	1.5
353.03189	0.8
405.12408	0.9
423.16226	100.0
424.16681	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04514	0.7
60.19403	0.5
64.00490	0.6
67.05487	1.5
69.03416	0.9
69.73762	3.4
70.06578	2.1
72.08141	1.3
79.05525	0.8
81.03416	1.3
81.07027	1.9
83.04980	1.0
84.08124	1.5
85.02885	1.1
86.09704	4.7
93.07017	0.8
95.04970	1.0
95.08633	1.6
97.02921	0.8
98.97594	0.8
99.08048	0.7
105.06961	0.8
107.08565	0.9
109.02870	1.0
119.08599	0.8
120.08105	3.7
121.02856	2.1
136.07602	0.9
147.11612	0.7
153.05421	0.8
153.55931	0.6
157.99481	0.6
163.11124	0.8
164.07002	0.7
167.03120	0.7
173.13016	1.1
174.02916	1.1
175.03642	6.4
180.07251	1.0
185.04214	1.7
201.12468	0.8
203.03284	0.8
227.05275	4.5
239.03961	0.7
252.09535	1.1
253.05667	0.9
253.15756	0.6
271.04163	6.7
337.08951	6.9
361.09210	1.1
375.87988	0.6
379.09982	50.9
380.10507	2.1
423.08948	100.0
424.09375	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	423.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83528	0.9
51.43152	0.9
53.31852	1.0
55.34487	0.9
56.96555	2.3
57.03417	1.6
58.99587	7.2
60.04517	1.2
61.02917	1.4
66.89104	0.9
67.05506	7.9
67.05804	1.5
69.03420	6.0
69.06712	1.7
69.07065	23.1
70.06579	3.9
70.89433	0.9
71.37352	1.0
71.59139	2.0
76.02209	3.2
76.20585	1.0
81.03416	2.0
84.04493	2.8
84.08150	6.7
85.02890	10.0
88.03998	1.4
95.04961	2.6
97.02892	5.1
99.02662	2.4
101.04232	51.2
109.02885	2.6
110.06029	1.6
110.07172	1.5
112.07598	3.6
119.04909	1.1
120.08092	3.1
126.05524	2.0
127.02100	6.1
127.03905	3.7
127.05792	2.7
129.03720	1.6
129.10233	3.0
136.07590	1.6
140.07053	11.2
142.03165	1.4
145.04887	1.4
147.04404	2.9
155.01419	1.2
166.08690	1.1
168.04770	1.9
170.06339	3.4
172.04260	100.0
182.08109	4.0
197.07350	2.5
198.05850	4.7
206.08046	1.3
208.66185	1.2
214.05296	10.0
215.08508	8.2
244.06364	13.6
253.88460	1.1
257.09500	1.0
261.09012	18.8
284.11407	1.5
286.07370	3.7
302.12408	1.4
303.10092	2.7
334.09610	1.8
342.09924	2.5
345.07065	1.2
360.11157	1.4
377.13837	13.9
399.09842	1.3
423.14279	73.7
424.26746	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	422.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05503	1.1
56.05040	3.2
56.96556	1.2
57.03423	0.6
61.02895	0.5
67.05502	2.4
69.03413	1.4
69.07059	1.8
69.35515	2.5
69.35940	2.5
70.06585	1.4
70.44324	0.5
72.08139	1.6
73.18121	0.5
74.06074	7.9
79.05483	2.0
81.03407	1.8
81.07052	2.3
83.04964	0.6
83.08607	0.6
84.04499	3.0
84.08140	1.3
85.02890	2.0
86.09698	100.0
86.65149	0.6
87.10031	1.3
91.05473	3.9
91.63155	0.5
93.07052	1.7
95.04974	1.4
95.08604	1.9
97.02892	2.1
97.06523	3.1
98.06036	1.4
98.06863	0.5
98.20679	0.9
99.05533	0.8
102.05556	1.6
103.05446	0.7
105.07035	1.9
107.04964	0.6
107.08584	1.7
109.02857	1.0
109.06548	0.8
109.10160	1.0
111.04466	0.8
115.94934	0.5
116.07092	1.1
119.04948	0.8
119.08543	0.8
120.08095	25.6
121.02861	0.7
121.06503	0.7
121.10162	1.2
123.04360	0.6
124.07618	0.7
126.05497	5.6
127.03901	1.0
131.04915	0.7
131.08585	1.6
133.06447	0.6
133.10062	1.1
135.08054	0.9
136.07559	2.4
137.05989	1.4
143.08591	0.8
144.30283	0.5
145.10117	1.0
146.10608	0.9
146.11734	6.5
151.03833	0.9
154.08582	0.5
158.90530	0.5
163.03873	1.3
163.07536	0.7
164.07083	0.6
166.08618	5.9
173.09515	0.5
180.10236	1.2
185.13350	0.6
186.09140	1.3
189.12730	0.5
195.11343	2.8
199.46254	0.5
204.10158	0.8
211.14537	1.2
215.07184	0.7
215.14078	1.0
219.13759	0.7
230.15442	0.7
231.11331	1.9
239.13889	9.5
244.06244	0.6
249.12361	2.3
250.18048	1.0
259.09656	1.4
260.10107	0.7
274.14276	0.8
277.11807	0.8
279.16968	7.0
291.16998	0.6
293.18637	0.8
360.19247	1.2
422.29233	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	422.2169
Annotation	CHEBI:69394
Peak:m/z	Relative Intensity
50.75663	0.6
52.86813	0.7
53.03912	1.0
55.01617	1.2
55.01867	14.3
55.05504	4.4
56.96536	0.7
57.03422	1.7
60.24147	0.7
65.03919	1.0
65.31333	0.6
67.05505	6.3
69.03423	3.8
69.07065	13.5
69.64442	4.8
70.06572	1.2
71.04967	1.9
77.03918	0.7
79.05486	10.1
81.03403	1.3
81.07056	12.4
82.03691	0.8
83.04971	2.8
83.08630	1.1
84.08141	0.8
85.06536	6.4
86.09702	0.7
91.05471	11.1
93.07033	20.2
95.04961	4.9
95.08598	17.3
95.09218	0.8
97.02883	1.3
97.06525	18.3
97.10175	1.1
98.20713	0.8
99.04446	4.1
101.06018	0.9
105.07018	16.0
107.04953	2.6
107.08586	36.5
109.06503	8.6
109.10143	2.0
111.04430	1.1
111.08061	4.3
113.05997	5.8
117.06980	1.4
119.04935	6.2
119.08545	4.6
121.06490	6.9
121.10136	10.9
123.08064	7.9
125.05993	1.5
125.92439	0.7
127.07509	0.8
130.07751	1.6
131.08502	1.3
133.06413	0.9
133.10120	2.0
135.08051	1.8
135.11685	7.4
136.07568	34.0
137.05966	14.1
139.11179	2.8
142.12242	0.7
142.86722	0.6
145.10112	14.4
147.04410	2.9
147.11661	2.2
149.09607	8.9
151.07526	9.9
153.12758	1.0
157.08646	1.5
158.07120	0.8
163.11180	24.3
165.12686	1.1
167.10663	13.2
169.08586	100.0
170.08887	1.3
173.09601	2.4
179.07028	11.3
181.12222	12.8
185.11705	5.8
191.10660	9.4
196.09671	19.6
205.97771	0.7
209.11737	6.2
209.52803	0.7
212.16415	1.3
215.07153	0.9
227.12766	41.3
228.13155	1.0
254.17555	1.6
259.09570	1.6
259.45987	0.7
260.09875	1.4
276.83865	0.8
302.17358	1.0
314.27115	0.8
326.17679	4.1
330.21362	1.0
344.18527	3.6
359.80954	0.7
360.21545	1.2
362.19641	4.7
378.16229	1.0
386.19754	5.6
404.20563	6.5
404.25244	0.9
405.14551	0.8
422.15936	1.5
422.21643	3.3
422.29340	5.1
423.23453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01859	3.7
55.05509	6.5
55.93514	4.1
56.05821	1.4
56.12307	1.3
56.94296	3.0
56.96547	4.3
57.03433	2.7
61.02903	4.2
65.03933	1.9
67.05501	14.7
68.05817	2.1
69.03413	2.7
69.07065	9.8
70.06568	2.0
70.95851	6.1
71.04999	2.1
71.48048	1.2
71.92990	2.8
72.08141	1.6
72.93786	15.0
76.29094	1.3
79.05495	10.1
81.03424	10.0
81.07038	10.0
82.03728	1.7
82.07396	3.0
83.04962	3.3
83.08607	3.6
84.08133	2.0
85.02888	4.0
86.09698	1.6
88.96900	4.5
90.94820	14.3
91.03927	2.6
91.05461	10.5
92.05761	1.6
93.07039	8.6
94.07349	2.0
94.85828	1.1
95.04965	7.6
95.08584	6.2
96.05288	2.8
97.02907	3.8
97.06513	3.7
105.07031	7.9
106.07349	1.7
107.04960	6.3
107.08585	4.4
107.89178	1.4
108.05254	1.3
108.95855	5.1
109.06467	3.1
109.10141	6.7
110.10480	2.0
113.96356	1.4
116.96384	2.5
117.07034	3.3
119.08551	6.0
121.06527	1.9
121.10159	2.6
122.51683	1.6
126.98411	1.3
128.96303	2.6
129.06966	3.5
129.10223	1.4
131.08560	3.1
132.08862	1.6
132.57240	1.3
133.10095	2.4
134.97359	2.2
135.11690	1.4
138.98412	2.6
142.97891	3.0
144.99451	3.0
145.06444	1.7
145.10104	2.0
146.97375	2.7
147.08038	1.8
148.65591	1.3
148.98972	3.0
149.09584	1.7
151.01994	2.1
156.99460	3.1
157.10098	2.4
159.11731	1.2
160.98845	1.9
162.96962	2.1
163.11154	1.4
165.00027	2.4
166.97914	2.9
168.99411	2.3
172.98993	3.3
178.97925	2.1
179.01492	2.4
183.01021	1.8
184.98947	2.5
187.00537	2.7
192.99573	1.6
193.12308	1.4
193.71140	1.6
196.99023	2.3
199.00580	1.7
204.99211	1.7
207.01039	1.5
211.00385	2.2
215.03532	2.0
219.00890	2.1
219.13818	1.3
223.00427	1.6
225.02075	2.9
227.03702	2.1
229.24762	1.4
235.04178	2.1
237.01994	1.5
243.09059	2.0
245.04666	8.4
251.03593	2.8
255.08792	1.6
257.04694	2.1
259.06216	2.9
261.04163	2.6
263.05685	1.9
267.08682	3.1
269.12500	2.8
271.06253	11.5
273.04126	1.6
283.06024	1.7
283.08670	2.4
285.10220	3.0
297.09390	1.7
312.20343	1.8
323.10495	2.0
329.21320	1.6
330.21451	6.1
343.09924	1.9
345.11453	46.6
363.12506	100.0
364.12860	3.8
380.34802	1.7
381.13443	10.5
386.13889	3.6
404.15091	4.6
404.25043	3.1
422.26059	5.2
422.34644	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	422.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.6
53.03919	1.8
55.01856	1.4
65.03925	2.4
67.05470	1.0
68.77844	0.5
69.03426	5.3
70.06573	2.4
70.72359	1.3
71.01329	0.6
71.04975	0.9
72.08145	0.9
73.02904	0.9
78.03448	9.3
79.04259	0.6
80.05008	2.6
81.03409	12.2
84.04499	1.0
84.08132	1.8
85.02895	4.8
86.09701	1.4
93.03415	1.1
95.08585	0.9
96.04512	4.6
97.02879	3.3
99.04454	2.0
105.07010	0.7
106.02910	33.7
107.03258	1.0
109.02858	7.4
110.07227	0.7
111.04433	5.3
120.08110	1.1
122.02779	0.6
124.03943	95.0
125.04307	2.1
127.03916	7.6
129.10239	0.8
137.02333	100.0
138.02664	1.2
144.08099	0.9
145.04987	0.7
147.04411	1.2
155.03433	2.0
156.08089	0.9
166.04921	0.8
225.11317	0.8
241.09744	0.6
243.11433	0.7
250.07095	17.2
260.12704	0.9
268.08142	75.8
269.08459	1.3
317.14056	0.7
386.08603	3.6
404.09662	8.6
422.10657	10.0
423.11197	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	422.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.05486	2.7
56.05027	2.7
56.96545	3.1
57.03420	1.9
58.99580	9.0
60.04510	2.4
63.75313	1.1
67.05493	1.7
68.05000	1.5
68.98484	1.3
69.03412	5.4
70.06585	25.9
71.04965	1.8
71.24529	2.7
72.08150	8.3
76.02220	17.8
79.05484	2.4
81.03433	3.1
81.07034	2.3
83.06120	1.8
84.04478	6.2
84.08131	13.7
85.02866	3.4
86.09686	8.7
86.99051	3.2
87.04512	1.4
87.05576	2.2
87.19820	1.4
91.05470	5.2
94.06560	2.5
95.04936	2.0
95.08596	2.1
96.04501	1.8
97.06508	3.4
98.20959	1.5
98.97555	1.7
99.04448	2.3
100.02202	10.9
100.07589	1.3
102.05554	1.9
104.07101	8.1
105.00089	1.9
106.02909	2.6
107.08593	1.7
109.02873	3.6
109.46877	1.4
110.07124	2.5
114.51091	1.3
116.07070	2.0
116.98609	1.4
119.04935	5.7
119.08586	1.8
120.08092	4.4
121.06532	1.4
122.05990	3.2
124.03921	5.6
127.03909	2.0
129.10231	6.8
130.05005	2.6
134.05952	1.5
136.06236	1.6
136.07578	3.7
137.02361	3.2
137.07060	2.1
144.08096	2.2
146.02716	11.6
147.04390	19.4
148.04784	1.9
150.05544	1.8
152.01686	1.5
156.08105	2.3
158.09436	1.3
163.60030	1.3
168.08138	2.1
170.09650	3.6
172.07603	3.3
174.09116	4.1
175.08669	7.2
177.00832	1.8
184.07549	1.5
185.10771	1.8
186.09048	3.4
187.12253	1.9
188.03729	4.5
188.06972	1.6
189.10182	3.6
196.07503	6.7
198.07634	1.6
198.09259	11.2
199.08617	2.1
200.07069	3.5
207.13814	1.6
210.09070	1.8
211.08609	1.8
212.09190	1.9
212.10933	2.1
213.10228	17.4
214.08743	6.3
214.10797	1.9
215.08246	3.0
215.11803	8.6
217.09714	8.3
224.07040	3.8
225.10185	1.6
226.07205	4.0
227.08127	4.4
227.11765	4.5
229.09708	1.5
235.10738	14.4
237.02814	1.6
239.08144	3.4
240.08867	9.5
241.09712	61.2
242.10307	2.1
243.09068	2.6
243.11325	35.3
250.07254	1.4
254.06358	3.4
254.10495	4.2
255.11299	10.3
256.10785	3.8
257.12723	2.8
258.12399	20.6
259.10748	48.6
268.08139	1.8
271.08972	1.9
271.13046	3.3
273.06799	1.7
273.12369	3.6
277.11935	2.9
282.09869	2.2
283.10770	13.6
284.13995	2.3
285.12335	27.4
286.09366	4.6
299.08566	5.1
301.11813	61.0
303.13354	8.0
317.13684	43.2
318.12491	7.7
319.12906	13.5
331.22302	1.5
350.23251	2.0
360.13672	7.0
362.11752	16.0
368.24118	2.1
378.14691	2.6
386.25204	3.3
404.12766	45.3
422.13763	100.0
423.13705	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	421.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.9
53.03925	2.7
55.01851	4.1
55.05499	15.9
56.96557	1.9
57.03434	9.3
57.07071	32.1
65.03918	1.9
67.05496	24.9
69.03416	3.6
69.07066	15.6
71.04977	4.1
71.60798	2.8
77.53609	2.0
79.05495	15.1
81.03411	4.5
81.07051	30.2
83.04988	5.0
83.08617	3.3
85.02872	1.8
85.06532	22.3
91.05470	14.1
92.93150	1.8
93.07034	22.9
95.04933	9.6
95.08597	18.4
97.06536	7.4
97.76693	1.7
104.99310	2.1
105.07019	14.1
107.04964	5.0
107.08588	20.0
109.06508	17.0
109.10138	14.4
111.04504	3.2
111.08102	3.4
117.07030	4.2
119.08572	15.0
121.06512	3.9
121.10130	11.0
123.04453	1.8
123.08087	13.8
123.11740	3.6
125.06059	1.9
125.09635	2.3
129.07031	3.6
131.08568	9.0
133.10150	7.2
135.08038	22.2
135.11705	7.3
137.05963	25.6
137.13321	2.0
139.07550	2.9
143.08598	3.3
145.10170	7.4
147.11728	5.7
149.09637	6.6
149.13286	2.7
151.07587	8.2
151.11224	4.3
157.10158	5.0
159.11763	6.7
160.57584	1.6
161.09650	4.5
161.13289	6.2
163.07591	2.3
163.11185	2.8
165.12775	6.8
171.11736	2.0
173.13263	4.0
175.11229	3.4
177.12796	7.7
179.14369	4.9
189.16443	1.9
193.12251	4.3
195.11836	2.1
203.10748	2.1
204.06613	1.7
207.13844	8.1
215.18138	2.0
233.18968	2.3
263.20135	5.8
277.18164	2.1
301.25186	2.1
319.23047	3.1
319.26196	13.2
329.21207	5.9
329.24820	6.9
335.15283	3.2
337.27258	3.2
347.25766	100.0
348.26074	3.5
353.16434	2.8
365.26718	17.7
393.30057	11.9
403.24908	5.8
421.29654	59.2
421.33853	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	421.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01863	1.2
55.05511	2.6
56.15719	0.5
56.96546	0.8
57.03430	1.2
57.07067	0.7
58.53010	0.5
61.02912	0.5
63.80639	0.5
65.03911	0.7
67.05500	4.8
67.44202	0.5
68.01755	0.6
68.99763	1.0
69.03058	0.9
69.03419	8.0
69.07066	3.3
70.06577	2.3
71.04974	1.6
71.59620	1.0
72.08126	0.5
79.05490	7.7
81.03409	5.7
81.07051	10.7
83.04972	3.6
83.08608	0.6
84.04488	1.3
84.08130	1.7
85.02879	2.7
86.09691	2.2
87.00803	2.5
91.05479	9.7
92.05850	0.7
93.07033	7.2
95.04955	3.0
95.08595	3.6
97.02900	2.8
97.06529	2.3
99.04434	1.3
103.05476	1.1
105.07024	10.8
107.04951	5.8
107.08588	22.3
109.02870	6.5
109.06494	4.2
109.10145	9.3
111.08089	0.8
115.05439	2.7
117.07053	3.2
119.08566	4.9
120.08112	2.5
121.02818	0.8
121.06493	3.2
121.10134	13.1
122.07284	7.5
123.04410	1.0
123.08049	2.2
127.03909	16.0
129.06961	0.9
131.08551	4.9
133.10121	100.0
134.10439	2.4
135.04338	0.7
135.08047	9.7
135.11700	2.1
137.06013	1.1
137.09605	63.0
138.09930	0.8
143.08551	1.7
145.04904	0.7
145.10118	3.2
147.08035	0.8
147.11642	3.1
148.07544	0.7
149.09615	2.8
149.13245	10.0
151.11124	0.5
157.10045	0.9
158.10890	1.5
159.11714	1.0
161.05992	0.7
161.09581	1.1
163.03940	0.9
163.11241	0.7
163.14807	1.7
165.09082	2.6
167.07056	0.8
169.04988	0.6
171.11650	0.7
173.13261	6.5
185.13159	0.6
187.14778	0.8
189.12724	0.5
191.14297	46.4
192.14754	0.6
213.03912	2.8
215.07117	0.7
215.10287	0.6
231.05019	1.7
255.11319	1.3
259.09732	0.7
283.10855	0.6
301.11844	1.8
309.13303	0.5
317.17636	1.2
335.18414	0.8
403.18115	1.0
421.18832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2579
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
50.72342	1.9
53.03933	5.4
55.01875	10.1
55.05505	33.4
57.03423	10.6
58.88720	1.7
61.02902	3.3
65.03919	3.8
67.05498	81.0
69.03403	7.5
69.07061	18.7
70.02457	1.7
71.04968	6.1
79.05051	3.4
79.05482	42.9
81.03415	30.7
81.07043	48.0
83.04966	8.7
83.08610	20.9
85.02902	5.5
85.06528	5.2
86.32024	2.4
91.05472	53.4
93.07034	41.3
95.04955	79.5
95.08590	32.3
97.02918	2.5
97.06521	8.3
97.10159	17.5
103.05442	3.0
105.03329	3.3
105.07024	31.0
107.04949	31.7
107.08582	18.6
109.02902	2.3
109.06509	13.1
109.10141	41.2
111.08085	7.9
114.61522	2.1
115.05436	4.2
117.07002	21.0
119.04923	3.3
119.08571	26.2
121.06487	28.9
121.10124	16.7
123.08051	10.7
125.09624	13.1
128.06244	4.1
129.06985	17.1
131.04935	4.7
131.08539	23.4
133.06482	8.4
133.10112	12.6
135.08034	11.5
135.11659	6.3
137.09607	12.1
139.11189	4.1
141.06973	5.4
142.07730	4.4
143.08548	11.9
144.12408	2.0
145.06471	8.4
145.10077	14.6
147.08023	13.3
147.11673	7.8
149.09604	8.6
149.13235	2.8
155.08498	6.2
157.06479	4.8
157.10123	15.2
159.08049	5.7
159.11679	11.2
161.09619	9.5
162.71368	2.2
163.11130	10.0
167.08556	2.7
169.10133	6.2
171.08081	4.5
171.11703	8.4
172.90105	2.0
173.09576	3.9
173.11725	9.1
173.13211	4.6
175.11188	14.5
177.12726	7.2
181.10121	3.8
183.11661	6.8
185.09573	3.9
185.13164	2.6
187.11186	4.7
189.09209	10.6
189.11227	7.8
189.12778	3.1
193.12187	14.3
195.11623	3.3
197.13269	5.9
199.11133	4.5
201.12773	4.4
203.10661	10.5
203.12740	5.0
205.12236	4.7
207.13818	3.0
213.12732	4.8
217.12135	3.3
219.13710	3.1
223.13191	4.4
229.58209	2.4
231.13765	5.9
237.14766	2.6
243.13762	2.0
249.14871	12.5
259.09695	2.9
259.12466	1.9
263.16528	2.0
269.12195	4.5
301.21671	6.5
311.20013	19.0
319.22668	2.6
329.21063	100.0
330.21408	3.3
347.22116	15.5
349.21835	2.3
367.22604	4.4
385.23535	7.3
403.24750	55.0
403.29712	3.9
404.25198	3.8
421.25842	71.9
422.18463	2.4
422.26117	3.6
438.99179	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	421.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07921	0.5
53.03939	1.8
54.78360	0.5
55.01868	0.8
55.05503	2.8
56.96557	0.8
57.03424	0.8
57.07073	0.8
57.31504	0.5
61.02896	0.7
63.97908	0.5
64.11472	0.4
65.03924	1.1
67.05510	4.2
69.03423	6.9
69.07066	2.7
69.48271	2.0
69.48705	2.1
70.06572	2.2
71.04980	1.0
72.08134	1.4
79.05484	6.8
81.03417	5.2
81.07054	6.8
83.04984	2.9
83.08630	1.3
84.08106	1.5
85.02908	2.3
85.06541	0.6
86.09697	1.0
87.00818	2.1
91.05474	7.2
93.07039	5.0
93.47372	0.5
95.04956	2.4
95.08598	2.9
97.02874	5.4
97.06522	3.9
97.10165	0.6
98.21478	1.0
99.04443	1.7
105.07023	10.3
107.04954	4.6
107.08583	21.8
109.02876	5.1
109.06515	3.4
109.10146	7.3
111.80539	0.5
115.05450	2.0
117.07025	2.3
118.07840	0.6
119.04964	0.5
119.08582	4.7
119.17825	0.5
120.08097	1.5
121.06510	2.8
121.10139	12.4
122.07277	6.8
123.08047	2.2
124.42939	0.5
127.03912	13.9
128.04269	0.7
129.10197	0.6
130.88786	0.5
131.08562	3.6
133.10121	100.0
134.10500	2.6
135.04413	0.9
135.08049	9.2
135.11676	2.0
137.05978	1.5
137.09605	55.9
138.09946	1.6
140.26172	0.5
143.08539	1.4
145.04951	1.4
145.10083	2.3
147.08110	0.5
147.11652	2.7
149.05940	0.6
149.09630	3.9
149.12161	0.8
149.13251	8.9
157.10086	0.9
158.10890	1.2
159.08032	0.8
159.11716	1.1
161.05984	0.9
163.03882	1.2
163.11174	0.6
163.14809	1.7
171.11673	0.9
173.02318	1.1
173.13229	6.1
175.07483	0.5
175.11194	0.7
179.06935	0.6
181.04965	0.5
185.09677	0.5
189.12782	0.8
191.14293	43.7
192.14665	2.0
213.03885	3.2
215.07036	1.0
231.05023	1.7
259.09796	2.3
287.55792	0.6
293.40979	0.5
317.17450	1.7
325.06342	0.6
335.18542	1.4
356.85889	0.6
403.17728	1.4
418.18283	0.5
421.18890	1.8
441.51459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01872	4.4
55.05515	8.9
56.05036	94.0
56.96569	1.8
57.03430	1.8
59.29218	1.2
61.01150	33.1
61.02924	1.5
61.67658	1.5
65.03925	2.6
67.05510	14.9
69.03436	5.7
69.07069	15.4
70.06594	3.7
71.04993	7.6
71.15685	1.6
71.16019	1.9
72.08156	1.6
74.02454	1.8
74.06063	3.6
77.56156	1.2
79.05489	19.4
81.03423	5.6
81.07059	36.3
82.29806	1.2
83.04984	21.6
83.08618	5.3
84.04535	1.3
85.02913	4.7
85.06546	4.1
86.09708	2.3
87.02695	4.2
91.05476	14.8
93.07047	43.2
95.04983	16.3
95.08604	21.0
97.02908	1.3
97.06526	25.4
98.06053	2.1
98.97594	1.8
99.04456	6.2
100.07609	1.9
101.10773	1.5
102.05527	9.8
104.05328	94.9
105.07030	29.1
107.04965	4.4
107.08598	24.6
109.06519	16.2
109.10152	7.5
111.04419	1.6
111.08074	19.8
113.06087	1.8
117.07014	3.1
119.08587	18.7
121.06503	28.5
121.10136	4.9
123.04379	2.2
123.08081	4.2
123.11730	8.2
125.05997	17.9
127.07567	4.2
129.06989	4.5
131.08571	5.3
133.03185	50.1
133.06487	3.8
133.10130	17.6
134.07147	1.5
135.04433	3.1
135.08057	14.5
135.11667	2.0
136.07600	1.8
137.06018	4.2
137.09589	2.2
137.13232	1.7
138.09183	1.8
139.07541	12.8
141.05501	1.9
142.07765	3.6
143.07043	8.6
143.08592	4.6
145.10109	8.1
147.08052	3.8
147.11679	36.4
149.09666	3.5
149.13249	3.4
150.05838	100.0
151.11180	5.6
153.09148	2.2
156.09267	1.9
157.08659	3.7
157.10146	11.9
159.06573	3.0
159.07953	2.1
160.05116	4.4
161.05922	2.2
161.09596	2.6
161.13257	7.1
163.11185	1.5
165.12758	9.7
169.12256	14.9
171.11665	8.4
173.09676	3.6
173.13225	2.8
175.11191	23.8
189.12743	14.8
190.12338	1.4
191.14310	2.4
192.07648	1.7
193.12251	25.6
199.11160	9.4
207.13828	5.6
211.13300	20.1
217.12227	31.7
225.14989	1.4
226.10677	1.8
229.14433	4.5
232.10036	1.8
235.13261	18.4
246.11664	3.0
252.16026	4.8
253.14355	13.6
259.09683	2.2
260.13013	2.3
264.19620	2.4
266.17621	2.7
270.16992	7.1
272.16501	5.5
290.17480	16.5
308.18549	67.3
309.19144	1.7
324.10281	2.5
326.19559	15.1
338.17752	3.2
342.17419	2.6
354.19144	2.8
356.18881	4.1
358.20340	2.6
360.18323	4.4
366.17392	5.0
384.18478	9.0
402.19443	20.5
420.11887	1.8
420.20667	3.7
420.27798	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	420.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
56.05021	0.9
56.96585	0.6
57.03422	1.4
60.04519	0.6
70.06597	3.4
70.84631	1.7
72.08141	2.1
73.02916	1.0
75.04472	1.3
76.04007	0.6
79.05470	0.8
81.03429	0.6
83.06092	0.7
84.04498	1.6
84.08134	2.1
85.02912	3.5
86.09710	1.7
91.05473	1.9
95.01315	1.9
95.04955	1.3
97.02904	1.4
102.05537	0.6
103.03886	0.6
107.04949	100.0
108.05283	1.1
111.52105	0.4
112.08735	0.6
113.02330	0.9
119.04945	3.1
120.08060	0.6
121.08746	0.6
127.03922	1.5
129.10243	1.0
141.01845	3.9
145.03487	0.6
147.04396	10.6
153.05447	4.7
154.08578	0.5
159.09116	0.6
166.08733	0.5
187.04469	0.9
209.08081	36.9
215.12172	0.5
227.09109	11.7
239.11104	0.5
257.81641	0.5
259.11981	1.0
275.06049	1.4
302.12387	0.7
318.16608	1.3
343.06607	0.6
385.11179	1.5
405.35135	0.6
420.15417	1.7
420.24649	0.8
421.16992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.4
55.93515	0.7
56.96565	0.5
66.04704	0.6
67.05476	0.8
68.23796	0.3
69.03392	0.3
70.95854	0.4
71.60046	0.3
71.60486	0.4
72.93781	1.4
79.05473	1.3
81.03407	0.4
81.07053	1.3
83.20255	0.3
86.34241	0.3
89.96390	0.5
90.94808	0.8
91.05463	1.4
93.04997	0.3
93.07020	0.4
94.04165	4.2
95.04972	0.5
95.08605	0.4
98.20870	0.3
105.07008	0.6
106.76382	0.3
107.04932	0.5
108.95757	0.4
109.10146	0.4
114.94843	0.3
115.31155	0.3
119.08598	0.4
122.03640	11.6
123.03944	0.4
130.96703	0.4
132.95845	0.4
137.05965	100.0
138.06277	2.1
150.96846	0.7
161.98552	0.3
172.00505	0.4
176.96402	0.3
193.98997	0.6
194.97386	14.0
194.99176	0.8
207.01016	2.8
208.98967	1.8
209.95993	0.5
209.99649	0.5
210.99181	2.1
211.97559	0.5
212.98438	16.9
213.98875	0.5
217.99020	1.2
226.05244	0.7
227.00005	0.7
235.97675	6.4
235.99904	0.8
236.52361	0.3
242.08379	0.6
247.99966	0.6
248.03784	0.3
251.00000	58.4
252.00304	1.2
253.98694	19.3
266.01300	0.4
269.01096	2.3
277.00262	2.2
284.09464	1.8
292.02658	4.1
296.09296	0.6
330.08136	0.5
338.96478	0.4
345.10159	2.8
360.12350	2.5
360.74924	0.4
369.77921	0.4
369.82440	0.4
378.13574	7.5
379.14014	0.6
420.14642	18.7
421.15234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52664	4.5
53.03936	10.8
55.01860	10.3
55.05503	20.0
56.05008	4.8
56.96579	5.3
57.03424	12.6
57.07067	19.6
58.80912	4.6
59.35705	4.3
61.02912	5.1
65.03921	5.0
65.57476	4.2
67.05489	10.3
67.46104	3.9
69.03416	14.6
69.07064	10.8
70.06583	57.6
71.60851	4.3
72.08153	12.9
73.02935	4.5
79.05488	14.7
81.03415	16.7
81.07050	70.2
83.04980	11.1
84.08124	19.4
85.02888	33.6
85.06483	5.3
86.09698	20.6
86.58421	4.6
87.00836	6.1
91.05476	14.0
93.07044	11.2
95.04987	8.8
95.08629	14.9
97.02892	19.6
99.04437	8.2
99.08092	52.3
103.03967	5.1
103.05482	4.8
105.01881	9.3
105.07005	8.3
107.08600	8.9
109.02901	9.6
109.06483	7.0
109.10161	5.1
110.07158	8.3
116.07098	5.8
120.08093	100.0
120.08928	6.7
121.08889	10.6
127.03899	16.5
127.11215	4.3
129.10254	5.2
146.09653	4.9
148.07573	18.9
149.08394	5.1
149.23743	4.5
150.09125	4.9
153.12738	21.4
155.14308	16.4
159.02858	6.1
171.13715	8.2
184.30855	4.2
259.14536	6.1
285.08862	4.9
287.13828	34.8
288.13913	4.7
306.68930	4.7
315.13391	27.5
333.06284	4.8
419.19620	22.2
431.63434	5.6
438.53229	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	420.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
56.05024	6.3
56.96543	4.3
57.03431	2.2
58.99582	9.3
60.04504	2.0
60.08152	5.1
60.10787	1.7
67.05488	6.5
69.03433	2.5
69.07047	2.3
69.53808	1.7
70.06593	29.2
70.96539	4.1
70.96857	1.8
71.04994	9.9
72.08146	10.2
73.02933	2.0
74.00658	28.1
74.06079	4.8
76.02223	33.3
76.03995	7.9
79.05479	2.9
83.06099	5.2
84.04501	59.5
84.08142	18.7
85.01085	2.1
85.02902	5.3
85.04017	24.2
85.43378	1.8
86.09711	9.9
86.99052	5.9
90.05524	1.8
90.94816	3.0
91.05476	8.9
92.01698	12.2
95.01289	2.5
95.04952	12.4
96.04443	3.0
97.02904	2.7
102.05508	1.9
107.04952	84.5
110.07156	7.6
112.03953	5.1
113.03495	7.2
113.06002	18.2
116.01685	18.2
116.98659	2.4
119.04957	9.9
120.08064	2.1
124.03983	2.4
129.06664	3.7
129.10242	6.7
130.05005	34.6
130.06555	2.1
131.04514	23.9
135.04367	2.4
136.07544	3.1
140.01640	5.6
141.01733	3.2
142.03223	7.3
144.01102	8.9
144.06595	1.9
145.06073	5.3
147.04404	35.1
153.05537	3.6
154.08640	3.0
160.00586	3.3
161.01199	2.7
162.02185	41.8
162.03427	3.3
163.03870	8.5
169.03217	8.1
170.06319	3.2
177.03279	100.0
179.04842	26.0
181.06055	1.9
185.03766	5.6
188.07463	16.8
198.05807	4.0
209.08075	30.2
215.04199	2.2
227.09120	7.7
228.07150	2.1
231.04329	13.2
231.07925	2.7
233.05838	6.1
243.04323	4.0
245.06053	2.9
273.09052	7.0
275.06049	3.6
288.06586	3.8
289.04782	2.7
291.07077	3.0
291.10077	29.5
306.07520	3.4
318.16785	3.5
345.11108	21.5
357.10788	5.6
361.04880	6.5
392.85275	1.9
420.09290	2.8
420.14832	20.5
420.26077	4.3
421.16278	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	419.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95507	2.3
53.03939	11.0
55.01869	11.3
55.05514	11.3
56.05033	3.8
57.03431	9.8
57.07068	18.0
58.86285	2.3
59.05005	11.9
60.04522	4.6
61.02915	5.0
66.64847	2.0
67.05507	20.9
68.99799	3.0
69.03429	45.9
69.07066	18.5
70.06592	20.1
70.33212	7.4
71.04996	11.1
72.08153	41.5
73.02907	9.0
79.05485	8.6
81.03418	44.0
81.07061	20.5
83.04986	6.7
83.08605	5.7
84.02779	2.2
84.04505	17.8
84.08125	12.1
85.02902	76.6
85.04854	3.2
85.06543	10.8
86.09705	18.2
87.00824	35.5
87.10059	3.3
91.03979	2.8
91.05487	9.3
92.05799	2.4
93.07034	17.1
95.04971	8.1
95.08603	68.1
97.02888	31.0
97.06532	14.6
98.21493	3.5
99.04440	20.6
99.08096	18.7
102.05554	9.6
105.01862	19.3
105.07030	9.4
106.07348	3.2
107.04930	5.0
107.08595	17.7
109.02846	33.1
109.06521	12.4
109.10159	19.6
110.07144	2.5
111.08070	14.2
111.11760	3.5
113.07111	4.3
113.09635	63.5
115.03913	3.6
117.01860	5.7
117.06987	2.8
119.08582	7.3
120.08106	7.7
120.08913	3.4
121.06508	6.1
121.10172	7.1
122.06795	2.5
123.08074	3.7
127.03914	59.3
127.04805	4.6
127.11209	10.2
129.01805	3.2
129.10231	6.7
130.05017	6.5
131.05258	2.9
131.08585	2.5
133.10132	4.7
134.10522	2.4
135.07999	4.7
135.11693	15.9
136.07524	3.8
137.05934	3.3
137.09637	4.2
137.13292	10.6
139.07506	2.9
145.04944	24.6
147.02812	3.0
147.11728	4.2
148.06050	10.0
148.07397	2.6
148.12006	3.3
149.06366	3.4
153.09108	4.3
153.12737	100.0
154.13083	2.5
155.14302	23.8
159.02888	23.9
159.11673	2.9
161.13312	2.5
162.30460	2.4
165.12749	3.2
167.07040	4.2
169.08675	3.1
171.13808	19.1
174.09296	2.3
177.12711	3.3
180.65068	2.3
181.04948	2.7
190.13148	3.4
191.07071	4.1
194.12471	2.4
202.08661	3.5
213.03934	2.8
215.07024	3.7
218.12527	3.2
231.05086	10.3
235.13202	3.3
245.18590	3.1
254.14844	4.1
256.12891	3.9
274.13760	3.0
387.11972	3.4
400.45758	2.3
402.11710	2.8
402.97339	3.1
419.14584	4.1
420.04672	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	419.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.8
56.05019	1.0
56.96554	1.7
57.03436	0.8
60.04513	1.2
63.84442	0.4
64.09281	0.5
65.87612	0.4
67.05484	0.7
69.03423	1.1
69.07052	1.2
70.06590	7.3
71.59121	0.8
72.08147	5.4
73.06541	0.9
74.06083	1.0
81.03404	0.8
81.07034	0.8
83.06051	0.7
84.04480	1.0
84.08134	5.2
85.02888	1.7
86.09698	11.3
90.83167	0.5
91.05466	1.4
93.07062	0.5
95.06158	0.5
95.08568	0.6
97.02858	0.7
98.97585	0.9
99.08003	0.5
109.02883	0.8
110.07146	2.3
116.07107	1.1
116.98596	0.7
119.01918	1.3
119.04922	1.3
120.08104	1.6
127.03897	2.1
128.98552	0.6
129.10210	1.4
131.01889	0.6
147.04352	4.2
158.04108	0.6
158.97394	0.7
161.02959	0.7
170.99580	0.6
172.07491	1.0
173.06639	2.3
173.12849	0.8
185.06664	1.1
187.08171	0.7
191.07639	3.0
201.12383	1.2
203.07707	0.7
205.09178	0.6
215.07750	1.0
219.01764	0.7
224.53067	0.6
231.05316	0.6
231.09157	0.6
233.08694	1.2
234.98984	1.4
237.02829	0.9
275.11041	4.5
293.10785	1.7
317.11395	2.0
333.02515	0.6
335.11874	5.0
357.15182	11.3
359.13037	6.4
370.72394	0.5
401.14108	0.9
419.15195	100.0
420.15619	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	418.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00433	2.5
55.05490	8.5
59.73376	2.9
60.04532	5.2
65.03952	3.0
67.05482	5.5
69.03416	5.8
69.07055	4.6
69.61906	21.3
70.06583	43.3
71.04966	4.3
72.08149	20.7
74.06082	3.7
78.79019	3.0
79.05474	4.5
80.20029	2.8
81.03424	6.5
81.07043	6.7
83.04945	3.5
84.04502	3.5
84.08140	16.6
85.02892	12.6
86.06058	6.8
86.09700	29.5
87.00835	3.5
87.05548	3.4
87.10023	7.6
91.05449	7.8
93.07056	7.1
95.04971	3.7
95.08604	5.4
97.02869	7.0
97.06494	3.4
105.07018	4.8
107.04919	4.2
107.08608	5.6
109.10184	3.9
109.45759	2.9
110.07172	3.9
111.04404	5.0
116.07051	5.0
116.10725	13.5
119.08550	4.9
120.08094	11.3
123.08064	100.0
124.03862	4.3
127.03893	5.5
129.10249	6.7
133.10135	3.0
135.08003	2.9
135.11655	3.2
138.80408	2.9
142.08589	3.4
151.03891	15.2
159.11340	2.6
161.05927	3.0
165.66132	3.2
167.07027	2.7
170.11720	6.5
173.12823	3.2
181.04869	3.1
202.10661	3.1
221.11761	23.7
286.16348	3.6
382.18320	2.9
418.20935	5.8
418.28360	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	419.0971
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01858	0.4
55.05497	0.3
57.03422	0.7
61.02928	1.3
67.05499	0.3
68.99780	0.6
69.03433	1.0
70.06583	0.5
70.75880	0.5
70.76226	0.2
71.01349	0.3
71.04955	0.2
73.02913	11.6
79.05480	0.5
81.03403	0.4
81.07037	0.4
85.02898	0.7
86.09688	0.2
87.04459	0.3
91.05464	0.4
93.07024	0.3
95.04951	0.2
97.02927	0.3
97.06516	0.9
105.03378	0.6
107.04932	0.6
107.08559	0.3
109.02876	0.6
111.00781	0.9
115.03890	0.9
120.08035	0.2
121.02869	3.0
121.10129	0.2
124.03902	0.2
127.03907	0.3
133.02849	0.6
135.04428	0.2
137.02364	0.9
145.06487	0.2
147.04340	1.1
153.00699	0.4
153.01826	4.3
157.06479	0.5
161.05992	0.4
165.01833	1.7
171.04428	0.2
173.05946	0.3
183.02873	1.1
183.99776	0.2
185.05969	0.4
195.13670	0.3
213.05479	1.4
218.61917	0.2
231.06538	1.0
241.04907	0.7
258.05164	1.4
259.05954	0.5
276.11853	0.2
287.05478	100.0
288.05804	2.4
323.04871	0.2
339.17709	0.2
357.18915	0.2
419.11069	0.2
422.54608	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	418.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.3
55.01870	14.4
55.05487	11.4
56.05024	30.9
57.03427	13.3
61.02919	12.7
67.05487	14.2
67.15910	7.7
68.99772	12.3
69.03424	38.5
69.07064	11.1
69.69098	30.2
69.69508	20.0
70.06589	39.4
71.04971	13.9
72.08141	28.3
73.02902	20.0
74.02431	22.7
79.05492	13.8
81.03412	53.6
81.07066	23.3
81.83036	9.1
83.05009	9.9
84.04492	17.2
84.08131	28.9
85.02895	96.0
86.09708	30.8
86.73431	7.8
87.00825	40.3
91.05458	14.7
93.07040	14.2
95.08608	12.2
97.01624	9.2
97.02884	100.0
99.04459	16.8
100.07588	8.3
102.05566	10.7
105.01830	40.1
105.07047	13.3
109.02870	30.5
116.80273	7.5
116.95283	7.6
120.08095	27.8
121.02837	39.2
127.03915	94.0
129.10286	14.4
133.10115	10.7
136.07510	10.3
145.04945	64.4
153.01772	8.4
153.05484	32.6
159.02921	29.6
166.05353	22.2
167.07037	36.9
168.07397	21.7
181.04974	17.0
185.96114	7.9
245.99039	7.8
254.80260	8.5
271.20178	9.0
354.18896	9.2
356.07956	11.2
356.13062	8.1
374.14920	13.1
400.11594	8.5
400.18512	11.8
407.20383	11.3
418.14142	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.1
55.01859	4.4
55.05510	55.7
56.13810	3.2
57.03421	4.3
60.04479	3.4
62.91945	3.0
67.05482	9.9
69.03416	10.7
69.07040	4.8
70.06245	4.7
70.06589	64.2
71.04985	4.7
71.20953	6.2
72.08134	11.4
73.06550	11.9
78.31822	3.4
79.05479	5.5
81.03402	8.7
81.07051	8.0
83.04956	4.4
84.04501	9.0
84.08111	15.0
85.02896	25.0
86.06037	4.7
86.09687	24.1
87.00807	4.6
87.10025	5.3
88.52469	2.8
91.03971	3.4
91.05473	100.0
91.07579	42.9
93.07032	4.8
94.06554	5.8
95.04913	6.2
96.08112	4.0
97.02868	13.4
99.04449	4.8
105.01875	5.2
107.08600	3.5
109.02848	4.5
111.04405	6.7
112.07596	8.3
119.08560	3.8
120.08069	19.2
121.02837	8.8
127.03970	6.6
129.10228	4.4
136.07613	3.2
137.05943	7.4
143.11804	3.8
149.02324	57.4
149.05919	2.9
164.06960	4.0
167.07068	19.5
168.07356	17.2
170.01085	3.6
177.05472	8.0
180.61774	3.2
193.08586	46.3
199.99881	3.7
210.00639	3.7
211.09639	10.3
221.07983	15.0
274.12830	4.7
287.14145	4.5
310.09421	3.2
315.13107	3.5
333.07425	8.3
358.13290	3.2
377.06339	5.5
395.07611	24.2
418.15884	11.5
418.28506	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	417.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19762	6.1
55.05501	16.7
57.07071	9.8
67.05504	35.7
69.03406	7.3
69.07065	22.7
69.81563	27.0
71.04939	7.0
74.78127	5.3
76.87581	5.2
79.05483	24.7
81.07056	51.2
83.08628	12.1
86.86887	6.2
91.05473	36.5
93.07043	50.1
95.04954	13.5
95.08599	43.0
95.43451	5.6
98.98450	15.4
102.09143	8.2
105.07027	84.0
107.08590	63.4
109.06506	64.4
109.10168	40.8
113.83992	6.4
117.06998	13.5
119.08569	83.3
121.10130	74.2
123.08096	10.0
123.11708	18.3
128.06163	9.3
129.07028	19.3
131.08563	43.8
133.10136	71.2
135.08041	9.6
135.11673	33.6
137.09528	5.9
141.07025	8.5
142.07802	20.5
143.08586	33.2
144.09344	8.3
145.06564	7.2
145.10123	54.5
147.08055	20.1
147.11678	26.3
149.09648	8.3
151.14804	6.6
154.07869	9.5
155.01009	27.7
155.08565	19.7
156.09335	15.7
157.10136	50.2
158.10774	5.4
159.08092	7.1
159.11685	24.5
161.09583	15.1
161.13235	6.1
163.11119	6.8
165.07030	10.0
167.08499	9.5
168.09406	8.4
169.10114	28.4
171.11685	31.1
173.09619	10.6
173.13260	23.0
175.11250	11.8
175.14839	12.8
179.08612	9.6
180.09308	8.0
181.10092	22.8
182.10913	7.3
183.11772	29.5
185.09590	13.7
185.13243	22.1
187.11198	6.5
187.14828	16.6
189.16333	7.4
193.10127	25.8
195.11682	28.2
197.09575	12.4
197.13277	18.7
199.11174	9.1
199.14832	17.9
199.27829	5.4
201.12718	7.7
206.10754	7.6
207.11723	25.1
208.12341	6.7
209.13261	16.8
211.11116	7.3
211.14755	14.8
213.12924	7.7
213.16428	8.6
218.10939	7.7
219.11641	16.4
219.61275	7.2
221.13266	16.2
223.11099	6.6
223.14798	12.7
225.12788	8.7
225.16373	9.1
233.13339	8.2
235.14819	17.5
237.12764	8.1
237.16379	6.2
239.18010	9.7
241.19478	14.6
245.22656	7.6
247.14799	9.5
249.12764	6.1
251.14331	8.8
253.15860	10.7
253.19803	6.5
258.14026	7.7
259.14917	7.8
263.23737	10.1
274.20395	6.2
275.18054	7.7
277.15784	9.0
279.17477	7.0
295.17053	7.6
315.12082	6.5
315.21054	6.4
341.22644	8.3
357.25687	10.4
359.23755	23.7
375.26886	17.4
399.26596	34.0
417.27725	100.0
417.36334	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	417.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01870	1.3
55.05502	1.9
56.05023	1.7
56.49525	0.7
57.03426	0.9
57.12941	0.7
58.91921	0.8
67.05500	3.9
69.03408	1.9
69.07061	5.0
69.49357	5.3
70.06585	5.0
71.04964	1.4
72.08138	1.9
75.05601	4.0
78.04694	1.3
79.05484	4.1
81.03425	1.5
81.07053	6.9
82.03706	0.7
83.04996	4.3
83.06080	5.9
83.08616	1.0
84.04501	44.9
84.08135	2.6
85.02890	1.9
85.06563	0.7
86.09699	100.0
88.03982	2.1
91.05485	3.4
93.07040	7.6
95.04977	3.8
95.08592	5.2
95.09134	0.8
97.06526	4.1
98.21596	0.8
99.04456	1.4
101.07156	7.6
102.05531	5.5
105.07001	6.2
106.04164	0.7
107.04976	0.8
107.08602	5.3
109.02850	0.8
109.06492	3.7
109.10142	1.3
110.02421	0.7
111.08099	4.4
115.05453	2.7
117.06985	3.6
119.08585	4.8
120.08096	1.5
121.06487	6.0
123.04414	4.9
123.08044	1.6
123.11666	1.5
124.05260	1.3
125.06011	3.0
127.03896	1.1
127.05461	1.0
127.07635	0.9
129.06592	12.1
129.10262	1.4
130.04996	45.0
131.08565	1.7
132.10194	4.4
133.06482	1.1
133.10126	3.9
135.08049	2.6
137.09604	1.3
139.07535	4.4
141.10226	1.7
143.07005	2.0
143.08624	1.4
143.11784	30.6
145.06512	4.5
147.07635	23.5
147.11661	6.7
149.13274	1.0
151.03981	0.9
151.08649	1.0
151.11221	1.5
152.04625	1.2
157.08638	1.4
157.10081	1.3
157.84421	0.7
161.09645	0.8
161.13292	1.7
165.12782	2.8
166.08597	1.4
167.07039	43.2
168.07426	1.0
169.12231	2.5
171.11288	13.6
173.05966	6.4
173.13277	1.3
175.07477	0.9
175.11208	5.9
181.04944	6.8
187.10820	1.1
189.12761	4.2
191.14407	0.9
193.12263	5.1
199.11249	2.8
201.12369	3.7
205.08595	0.8
207.13849	1.9
211.11598	0.7
211.13200	4.0
212.09137	1.5
217.12204	9.3
224.14861	0.7
226.18044	1.4
228.15993	0.7
229.11954	3.8
229.14024	0.9
233.08067	4.3
234.14830	2.3
235.09712	1.3
235.13274	6.6
239.17558	1.7
247.12871	22.9
252.15927	5.7
253.14330	4.5
270.16980	7.2
284.19690	2.5
286.13876	4.7
288.18073	1.2
318.17218	1.4
327.22339	0.8
336.18045	1.9
340.17780	0.9
345.17886	1.1
346.16519	0.9
354.19135	1.6
355.22360	1.1
363.19223	1.7
364.17209	1.0
381.20184	2.8
382.18600	1.1
383.76764	0.8
387.14185	5.9
399.21283	7.1
417.15643	10.4
417.22443	0.9
417.28177	25.3
418.16309	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	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03938	0.4
55.01871	0.6
55.05493	0.7
56.96557	0.5
57.03424	0.3
60.23339	0.2
65.03944	1.5
67.05487	1.1
69.03413	0.9
69.07044	1.0
69.36642	2.1
70.06578	2.6
71.04987	0.4
71.54642	0.2
72.08149	3.3
74.06072	0.4
77.03912	0.3
78.04707	2.9
79.05488	2.3
79.81229	0.2
81.03407	1.1
81.07050	1.1
82.04177	0.5
83.04969	0.7
84.04498	1.4
84.08135	1.1
85.02895	1.9
86.09205	0.5
86.09700	6.5
91.05464	2.2
91.49013	0.3
92.80273	0.2
93.03407	0.5
93.07032	0.9
95.04961	1.8
95.08590	0.8
97.02882	1.0
97.06523	1.0
98.97564	0.4
99.04446	0.4
102.05528	0.4
103.05474	1.2
105.07025	0.9
106.04140	1.4
107.04960	1.8
107.08597	0.5
108.02074	0.4
108.63184	0.2
109.02861	0.8
109.06522	0.7
109.10158	0.8
110.03636	0.7
110.07170	0.3
111.04450	0.5
111.08077	0.4
115.05448	3.5
117.07013	6.1
119.04906	0.3
119.08574	0.6
120.08118	0.6
121.02863	0.7
121.06485	0.8
121.10117	0.3
122.03646	0.4
122.06020	0.3
123.04420	7.8
123.08031	0.4
124.05211	2.6
125.05956	0.6
127.03903	1.0
127.05441	0.5
128.06151	0.3
129.05370	0.3
129.10257	0.5
130.04994	0.8
131.04930	0.6
131.08600	0.3
132.08072	0.3
132.10199	0.3
133.06427	0.2
133.10120	0.5
134.03615	0.3
135.04372	0.6
135.08026	0.3
135.11748	0.3
136.07579	0.4
137.05963	0.7
138.03078	0.6
139.11165	0.3
142.02579	0.7
143.04955	0.3
144.05692	0.3
145.06480	9.9
146.11740	0.3
147.04373	0.5
147.08055	0.6
149.09586	0.4
151.03874	1.4
151.11154	0.6
152.04695	1.8
153.01801	0.4
155.06010	2.5
155.06958	0.3
159.11328	0.6
160.05482	0.3
161.05974	0.4
165.09073	0.3
167.07025	100.0
168.07344	1.8
170.35512	0.3
171.06487	1.1
173.05975	14.9
174.06364	0.4
175.07484	0.4
175.11160	0.3
181.04933	19.8
187.10777	0.6
191.06956	0.3
195.13510	0.3
201.05466	0.9
201.12300	0.6
205.08594	4.0
231.17055	0.5
233.05783	0.6
233.08064	8.9
235.09644	3.9
253.07867	0.4
255.16023	0.3
286.17374	0.2
307.09488	0.3
355.11807	0.3
373.18246	0.5
387.14355	14.6
388.14914	0.4
399.14996	0.3
417.15436	25.1
417.28140	18.0
418.15936	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	416.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84536	0.2
53.03943	0.3
55.01874	0.3
55.05499	0.4
56.96558	0.3
57.03424	0.3
65.03934	0.2
67.05490	0.5
68.99754	0.2
69.03423	0.4
69.07050	0.7
69.48122	1.7
70.06577	0.4
72.71146	0.2
73.44338	0.2
75.55965	0.2
79.05476	0.9
81.03403	0.3
81.07041	0.8
83.05008	0.4
84.08135	0.5
85.02892	0.8
86.09677	0.3
91.05461	2.0
93.07034	0.9
95.04955	0.5
95.08569	0.5
97.02898	0.4
97.06525	1.1
99.04462	0.3
103.05461	0.5
104.04489	0.2
105.07023	5.0
107.08605	0.3
109.06474	0.2
109.10123	0.3
115.05456	0.7
116.51322	0.2
117.07012	0.6
118.07811	0.5
119.08609	0.3
120.08067	0.3
121.02872	0.2
123.04461	0.2
123.08077	0.2
127.03944	0.5
129.06970	0.2
131.08562	1.3
133.10118	100.0
134.10428	1.4
136.07530	1.0
137.02342	0.3
137.05931	0.6
147.04382	0.2
147.11671	0.5
153.01816	0.9
163.03868	0.3
165.01819	0.2
165.09074	0.6
166.09453	0.5
167.07060	1.3
173.06038	0.2
175.07555	0.2
179.03383	0.2
181.04967	0.3
189.09071	0.4
197.52414	0.2
217.04909	0.8
217.92581	0.2
219.10257	0.3
229.04869	0.4
231.69341	0.2
245.04482	0.7
253.73482	0.2
257.04456	0.3
271.06171	0.3
273.03940	0.9
285.03934	0.5
299.05444	1.3
299.08786	0.4
301.03412	1.7
302.04172	0.4
303.04874	1.4
312.02289	0.2
313.03397	3.5
317.11295	0.3
318.11722	0.9
319.12589	0.3
325.07007	0.4
326.04437	0.3
355.08078	3.4
371.11520	0.4
399.10754	6.7
416.10773	0.5
416.19370	0.5
417.11664	6.5
417.16785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92275	0.7
53.03946	0.7
55.05513	3.7
56.05030	1.3
56.92094	0.9
56.96558	0.6
60.04528	1.2
67.05496	0.9
69.03437	1.8
69.07064	5.8
69.80054	1.2
69.80460	3.2
70.06591	8.4
71.06891	0.7
72.08155	40.7
72.93788	1.1
72.96349	0.7
73.08479	1.0
74.02451	1.9
81.03398	1.5
84.04508	3.0
84.08141	5.0
85.02898	2.2
86.09703	100.0
87.05587	3.9
87.10039	1.4
88.03983	1.0
90.94823	1.3
91.05486	1.8
95.04945	1.0
95.57187	0.6
97.02873	1.3
98.20800	0.9
102.05537	1.4
103.05846	0.6
107.04968	3.6
109.02847	0.7
110.07182	1.2
116.03466	0.9
116.07091	2.7
116.98640	0.9
117.07381	0.8
119.04923	1.8
119.99683	0.8
127.03923	1.0
129.10234	3.7
133.06078	19.9
135.04413	0.8
137.05959	1.3
143.11790	10.0
146.06001	1.3
147.04396	4.6
150.09116	1.1
155.08199	1.1
157.13333	7.7
160.07590	1.0
162.96976	0.9
163.03900	2.3
163.80380	0.8
171.11282	16.7
173.09183	1.1
185.12917	3.5
188.07120	2.2
201.08740	0.9
202.08966	0.8
206.08139	1.0
229.11858	3.1
232.12883	1.0
237.02739	0.7
239.17648	4.1
244.04829	0.8
246.14500	20.9
284.19681	5.0
317.18317	1.7
399.03635	1.9
416.15268	1.2
416.24939	1.4
423.23227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
53.05304	0.7
55.01845	0.7
55.05486	1.1
55.93514	0.8
57.03421	0.9
57.34888	0.6
60.04549	0.6
67.05501	1.4
68.99798	0.6
69.03412	1.7
69.07053	2.1
70.06586	6.8
71.37122	0.6
71.59834	1.1
72.08142	2.9
72.93775	2.4
74.06049	0.7
79.05483	2.1
81.03437	3.4
81.07038	1.2
82.06594	0.7
84.04511	1.4
84.08126	2.8
85.02875	1.4
86.09715	5.8
88.04012	0.7
90.94804	1.3
91.05463	1.7
93.07030	2.2
94.06569	0.8
94.07346	0.7
95.04937	0.9
95.08585	1.1
95.82295	0.6
97.06515	0.9
98.06037	0.8
98.09701	0.7
99.04436	0.7
105.07006	1.6
106.05024	0.8
107.04938	1.1
107.08593	1.5
108.54404	0.7
109.02865	1.9
109.06471	1.4
110.07137	0.7
111.08113	0.7
119.08553	1.2
120.08070	1.1
122.06047	3.9
124.07535	1.4
127.03905	1.9
129.10220	1.1
130.05046	0.9
136.07550	2.9
137.05966	0.8
138.09151	0.9
145.06487	0.6
147.04469	0.7
150.09100	1.0
153.01808	1.5
159.07927	0.7
164.07071	1.2
165.99464	0.8
167.07019	2.6
181.04982	1.0
181.98985	11.2
182.08231	0.8
193.98984	4.1
196.00525	1.3
197.98512	1.2
200.00026	16.8
202.01640	1.0
202.05431	0.7
208.00562	11.1
209.98480	7.1
210.02139	12.1
210.04178	1.0
212.00093	4.2
212.03694	1.0
214.01581	1.2
215.99585	1.1
221.98608	1.5
223.01691	0.8
223.51358	0.8
224.00038	7.6
226.01646	3.0
226.98759	2.3
227.99614	0.8
228.03156	14.9
236.00000	5.9
239.99474	1.4
249.98015	0.7
251.01183	0.9
251.07260	0.7
254.01074	8.5
256.04626	0.7
272.02161	1.9
284.11273	1.3
295.06122	0.7
302.12329	1.9
303.07849	1.5
308.93704	0.7
313.06363	4.5
315.04105	1.5
329.05835	2.1
331.07379	45.0
332.07620	1.5
333.05237	5.0
339.04465	1.6
345.05450	1.4
349.08377	2.8
357.05246	9.6
363.06363	2.5
375.06339	46.0
376.06720	1.7
377.10095	1.0
393.07401	100.0
394.07791	3.9
398.09064	1.1
416.09067	7.8
416.18146	0.8
416.27075	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	415.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50613	1.5
53.03951	11.2
55.01857	6.0
55.05513	10.6
56.96559	2.7
57.03423	5.2
61.02914	2.4
65.03925	1.9
67.05502	15.3
69.03428	27.9
69.07069	9.5
70.06582	5.1
70.26357	7.1
71.04994	13.2
72.08153	8.5
73.89725	1.5
79.05489	14.7
80.64787	1.5
81.03412	58.3
81.07058	32.0
83.04973	16.7
83.08619	4.8
84.08125	4.7
85.02897	19.0
85.06541	4.7
86.09702	5.4
90.20196	1.3
91.05459	17.5
93.06460	2.6
93.07033	36.7
95.04953	12.7
95.08598	20.0
97.02882	10.7
97.06534	16.5
99.04440	21.9
101.22617	1.4
105.07028	34.5
107.04929	4.9
107.08582	21.8
109.02875	41.2
109.06512	13.4
109.10143	7.1
111.04453	2.1
111.08079	15.8
115.05418	2.0
117.07013	2.4
119.08584	15.6
120.08128	2.2
121.06496	18.3
121.10148	8.1
123.08054	6.4
123.10583	1.5
123.11681	8.7
125.06004	7.6
125.09608	3.2
126.02674	1.5
127.03911	100.0
127.07553	2.6
129.06937	1.9
131.08566	5.1
133.06421	4.1
133.10132	12.6
135.04420	2.0
135.08035	9.9
135.11583	3.3
136.07565	2.5
137.05939	5.0
139.07529	6.8
143.07027	7.1
143.08522	2.8
143.11775	2.4
145.04933	2.5
145.06500	2.1
145.10098	8.1
147.08047	2.7
147.11693	24.2
149.09558	4.9
149.10840	1.6
149.13220	2.5
151.07465	2.2
151.11172	5.5
153.01859	2.1
153.09073	1.6
157.08661	2.0
157.10065	5.3
159.08057	3.2
159.09238	1.6
161.05948	1.9
161.13252	2.2
163.11191	2.3
165.09084	4.5
165.12747	10.3
169.12212	13.8
171.11623	4.8
173.09663	1.8
175.07516	1.5
175.11180	14.4
181.04984	3.0
187.05995	39.0
187.11180	2.4
189.12735	9.3
191.14322	2.1
193.12247	16.4
199.11133	4.7
207.13757	4.0
211.13214	17.0
214.41780	1.8
217.12242	18.9
227.08220	2.0
229.14412	3.6
233.11723	2.3
235.13280	19.3
253.14282	13.5
317.11328	12.7
318.12042	4.6
367.21698	4.2
369.18219	2.3
371.07462	2.0
379.17883	1.9
380.18463	3.1
397.18417	4.1
415.10147	16.7
415.18631	5.0
415.24081	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	415.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.0
55.01867	6.6
55.05507	10.8
56.05016	3.1
57.03432	6.3
61.02911	1.9
65.03941	3.0
67.05499	17.5
68.99784	2.8
69.03427	32.0
69.07066	9.1
69.42590	15.5
69.42936	2.3
70.06587	22.6
71.04987	12.4
72.08147	12.4
79.05486	15.0
81.03414	56.4
81.07053	30.1
83.04971	21.0
83.08620	2.3
84.04504	3.4
84.08127	9.9
85.02904	24.7
85.06525	4.4
86.09698	28.4
89.85692	1.6
91.05465	16.1
93.07037	36.1
95.04984	13.4
95.08597	18.6
97.02890	11.0
97.06526	16.0
99.04452	22.4
99.08051	1.8
101.06032	1.6
103.05496	2.0
105.07018	27.2
105.07659	2.5
106.79759	1.6
107.04955	3.8
107.08584	21.9
109.02126	1.9
109.02869	39.5
109.06519	11.2
109.10150	5.1
110.07121	1.9
111.04386	2.9
111.08070	18.4
113.06051	2.1
115.05448	2.0
117.07007	4.3
119.04895	2.2
119.08585	13.5
120.08081	4.9
121.06490	21.0
121.10143	3.6
123.04443	3.2
123.08056	4.3
123.11695	6.5
125.05982	11.0
127.03909	100.0
127.07514	2.4
129.07010	5.7
129.10225	3.6
131.08569	6.8
133.06534	3.4
133.10100	12.1
135.04460	2.3
135.08040	10.6
136.07521	2.7
137.05986	4.6
137.09601	2.6
139.03880	1.8
139.07523	9.3
141.05467	1.6
142.07784	3.5
143.07022	7.5
143.08574	2.3
143.11780	1.7
145.04953	4.6
145.06476	1.8
145.10133	6.7
147.04411	5.0
147.08034	2.2
147.11684	24.2
149.09610	2.5
151.07614	2.0
151.11201	4.4
153.01826	11.7
156.09334	2.3
157.10109	7.0
159.06560	1.6
159.08002	3.1
161.05960	2.9
161.13235	5.1
163.11140	2.7
165.01849	1.7
165.09076	3.9
165.12740	9.2
167.07089	4.3
169.12227	13.6
171.11632	6.3
173.13295	3.5
175.11151	17.6
181.10089	2.6
183.14966	3.1
185.16467	2.1
187.06013	38.3
187.07520	3.7
189.05417	3.3
189.09015	1.4
189.12701	10.7
193.12221	16.6
199.11153	5.1
204.17065	1.6
207.02956	3.7
207.06535	2.0
207.13817	6.2
209.11574	1.6
211.13210	19.8
215.07156	2.1
217.04968	3.1
217.12192	25.9
229.14293	4.1
233.11465	1.7
235.06017	6.8
235.13293	20.6
249.09038	2.1
251.06947	2.2
253.07034	2.6
253.14381	13.9
279.06729	2.0
281.11862	1.8
283.10559	2.8
309.11096	4.8
311.10214	5.3
326.11356	9.0
327.04779	2.1
339.12320	1.6
340.13095	5.5
341.06851	2.4
341.13809	5.4
355.08029	5.0
371.07639	8.8
371.16754	3.0
379.17529	2.1
397.09189	2.2
397.18561	3.6
408.84079	1.7
415.10104	6.8
415.15759	27.5
415.23416	34.4
416.15274	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	415.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.2
53.03943	10.4
55.01869	4.7
55.05512	6.7
57.03431	8.5
60.04501	0.9
61.40728	0.9
67.01876	1.2
67.05505	8.4
68.99784	2.9
69.03427	26.7
69.07058	6.5
70.06590	3.2
70.66010	1.6
70.66390	2.3
71.04988	11.3
72.08151	3.0
73.02887	1.2
79.05492	9.0
81.03413	58.2
81.07050	21.6
82.03760	1.9
83.01347	1.7
83.04976	13.6
83.08611	2.5
84.04500	1.2
84.08146	1.9
85.02901	19.1
85.06533	2.9
86.09708	10.5
86.94589	0.8
91.05481	11.8
93.07040	21.8
95.04977	10.2
95.08603	11.6
97.02881	6.5
97.06535	10.3
99.04449	21.4
101.02328	1.3
103.03925	2.2
103.05436	1.5
104.16239	1.0
105.07027	21.3
107.04927	2.6
107.08583	15.4
107.49134	0.9
109.02874	49.3
109.06502	9.9
109.10156	3.5
110.03216	2.8
111.00787	2.0
111.04415	1.2
111.08086	11.5
113.06053	1.6
115.05490	1.4
117.07023	2.4
119.08585	11.8
121.06508	12.9
121.10159	3.0
123.04401	2.4
123.08051	2.9
123.11707	4.8
125.06004	9.7
127.03910	100.0
127.07568	2.3
128.06218	1.4
129.07011	3.0
130.06537	0.9
131.08560	4.0
133.06499	1.4
133.10129	10.8
135.04424	1.5
135.08038	8.0
135.11638	1.1
136.07564	1.5
137.05994	3.1
137.09647	1.3
137.13284	1.1
139.07549	4.4
141.06984	3.7
142.07738	1.1
143.07051	5.8
143.08563	2.4
145.04968	1.8
145.10109	4.2
147.04388	1.2
147.08055	2.2
147.09189	2.6
147.11673	22.1
149.09673	2.4
149.13264	2.0
151.07559	1.1
151.11189	3.4
153.01820	47.2
153.06982	0.9
153.09073	1.0
155.08568	1.2
157.06462	1.1
157.08694	1.7
157.10133	4.8
159.06520	1.2
161.05992	3.7
161.09573	1.3
161.13272	2.5
165.07262	1.0
165.08951	0.9
165.12715	6.9
169.06416	2.2
169.12196	10.6
171.11681	3.4
173.05858	1.0
173.09653	1.1
175.07426	1.4
175.08795	2.0
175.11165	10.9
181.06519	1.2
187.03961	3.3
187.06018	40.3
189.05418	2.0
189.09079	1.4
189.12654	6.0
191.03326	0.9
191.08253	2.4
193.12219	12.1
197.06010	3.4
199.11192	5.0
199.18034	1.6
207.02905	1.2
207.13803	2.3
211.13261	11.6
213.05475	1.0
215.03398	1.8
215.07095	2.9
217.08676	3.3
217.12231	18.2
225.05582	1.6
229.04948	1.3
229.14429	2.0
235.13205	14.1
235.16914	1.8
236.53944	1.1
243.06570	10.6
253.04910	1.8
253.14302	7.9
267.06433	1.3
269.04388	1.1
271.03458	1.1
271.05988	6.9
273.04199	1.1
283.06158	1.3
285.03998	1.8
289.11771	1.4
294.05182	1.3
295.06024	4.1
297.03973	3.1
298.04736	3.1
299.05453	2.6
305.08423	1.0
309.07471	1.8
310.04739	2.4
311.05408	4.4
313.03592	2.2
313.07031	2.3
317.03027	1.2
322.04648	1.5
323.05643	6.1
323.08951	2.0
326.04071	5.1
327.04669	1.2
333.07651	1.8
335.05414	2.8
339.04916	1.9
340.05875	1.4
341.06540	9.4
350.03992	1.3
351.04932	1.5
351.08585	7.2
353.06494	1.2
361.06937	2.0
364.05682	1.9
371.16928	1.2
379.08090	13.1
380.08392	2.1
397.09229	30.8
397.13760	2.4
397.17972	1.7
398.09579	2.9
415.10117	2.0
415.14673	7.7
415.20145	2.0
415.26746	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	415.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	1.8
56.41475	1.4
56.96556	10.1
58.27506	2.0
67.66960	1.6
69.40607	7.4
69.41032	8.0
70.06580	5.3
72.08138	3.7
81.29920	1.8
84.08111	3.4
85.02893	4.2
98.21469	2.8
98.97567	16.2
102.05512	1.7
110.97556	4.5
112.99113	45.8
116.98590	13.5
127.03897	4.6
128.98604	7.9
131.00159	84.9
134.99652	7.2
146.99646	7.5
149.01208	65.2
149.02432	2.3
158.99657	7.0
161.04950	1.9
165.00627	1.8
167.02260	5.2
170.99644	3.8
172.02777	2.0
173.09222	2.1
175.02747	12.6
177.00716	14.1
189.00681	8.8
193.03842	34.9
207.01753	4.7
211.04889	27.0
229.06018	2.5
231.01801	2.1
235.04866	100.0
247.04836	4.1
253.05943	33.9
265.05923	25.0
266.06473	1.9
276.07574	2.3
279.03964	12.7
279.06912	2.5
283.06744	2.2
295.07001	5.9
297.05066	3.1
302.03528	1.8
311.09875	2.6
352.04105	1.8
415.04797	3.9
415.10150	4.2
431.60788	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	415.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.6
55.01866	4.0
55.05508	6.7
57.03426	5.4
61.02929	1.4
61.35231	1.1
65.03961	1.8
66.68083	0.9
67.05508	11.3
68.99789	1.2
69.03427	25.7
69.07058	7.4
69.59236	1.8
69.59650	6.5
70.06580	5.9
71.04990	12.0
71.06910	1.2
72.08130	7.9
79.05482	8.8
81.03416	53.4
81.07049	20.9
83.04977	15.9
83.08614	4.0
84.04495	1.3
84.08161	3.0
85.02904	18.7
85.06557	4.9
86.09700	14.4
91.05479	10.2
93.07040	27.7
95.04976	10.3
95.08588	10.0
97.02894	7.9
97.06528	11.2
98.20807	2.4
99.04456	24.2
102.59099	1.1
105.07023	17.4
107.04951	2.4
107.08592	17.0
109.02114	2.0
109.02874	41.0
109.06518	7.9
109.10172	3.5
111.04453	2.6
111.08078	14.5
113.05972	1.6
117.07093	1.4
119.08568	11.7
120.08120	1.6
121.02821	1.2
121.06505	10.6
121.10130	3.5
123.08069	2.3
123.11707	8.0
125.05986	7.7
127.03911	100.0
127.07560	2.0
131.08583	3.6
133.10120	9.3
135.08051	9.8
137.05992	3.2
139.07567	4.5
140.72789	1.1
142.07809	1.6
143.06996	5.9
145.04959	2.4
145.10086	1.8
147.08034	2.4
147.11687	16.7
149.09592	2.1
150.09111	3.0
151.11183	4.5
153.01830	5.7
156.46066	1.3
157.06429	1.2
157.10123	3.4
161.13309	2.9
162.90039	1.3
163.11162	1.8
165.09155	1.6
165.12721	8.3
169.12224	14.6
171.11682	3.5
173.09608	1.4
175.11194	11.9
177.09073	1.3
185.12808	1.5
185.16463	2.8
187.06003	52.5
189.12749	5.9
193.12227	14.4
199.11153	3.5
203.13878	1.6
207.13866	3.7
208.01094	1.2
211.13293	15.6
213.15985	1.5
217.12230	12.9
229.14368	2.5
235.13300	14.2
253.14377	7.8
272.17603	1.5
313.03458	1.6
318.03561	1.6
397.18683	2.9
415.10153	2.5
415.15698	4.8
415.26709	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	414.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37315	1.5
55.01862	2.4
55.05498	2.2
56.05029	3.2
56.15772	1.3
56.96554	2.3
57.03420	4.5
59.05000	33.1
60.04499	1.8
61.02904	1.4
63.78968	1.3
67.05480	3.2
68.99777	1.7
69.03085	1.6
69.03426	10.8
69.07059	3.4
69.40091	1.4
69.40381	14.0
70.06590	25.4
71.06932	1.9
72.08155	10.2
73.02892	3.5
73.06554	100.0
74.06067	2.4
79.05482	2.8
81.03429	10.3
81.07028	3.5
83.04992	2.0
84.04482	6.0
84.08134	14.5
85.02425	2.0
85.02905	27.5
86.09702	14.4
87.00814	5.8
87.10065	1.4
88.03972	2.0
91.05470	6.7
93.07062	2.0
95.04980	3.2
95.06084	1.5
95.08552	1.7
97.02902	11.5
97.06532	2.1
98.06081	1.5
99.04441	6.4
102.05511	1.8
105.01851	6.7
105.07059	2.0
107.04939	2.3
107.08595	2.3
109.02879	8.6
109.10153	3.6
110.07162	4.1
111.04391	1.9
112.08688	1.8
116.07080	1.7
116.98632	2.1
117.06945	1.7
117.09128	9.4
119.04960	3.1
120.08089	4.6
124.07659	2.1
127.03910	15.0
129.10231	5.3
131.10681	12.1
135.04404	3.5
136.07504	3.3
137.06000	1.8
138.09093	3.0
145.04915	4.8
145.06334	1.6
145.10069	1.8
147.04401	7.6
148.07507	2.4
149.11725	66.9
150.09077	2.6
159.02946	3.2
160.07593	1.8
163.03882	1.9
167.55440	1.3
177.05443	5.0
188.06981	4.2
206.08090	3.0
229.14137	1.8
237.02864	2.2
237.90440	1.5
252.15886	4.2
385.13715	1.7
396.12524	1.8
397.11264	2.2
414.13443	2.2
414.17798	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	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93954	5.4
56.96553	8.9
69.03429	4.9
70.06585	10.9
70.79398	15.1
72.08141	5.6
84.08131	6.4
86.09740	5.6
98.97591	21.3
100.58873	5.0
104.10741	9.5
110.97563	6.9
112.99128	48.0
116.98624	15.2
128.98627	11.7
131.00160	81.0
134.99678	8.0
135.30669	5.3
144.94138	5.3
149.01213	61.3
158.99672	11.4
170.99660	8.1
175.02783	16.8
177.00705	12.3
189.00735	13.0
193.03799	24.1
207.01675	5.4
211.04889	28.9
219.01823	5.2
235.04877	100.0
237.02899	7.6
253.05968	32.1
265.05923	22.2
279.03836	8.9
279.07602	8.5
295.06998	8.4
415.05188	9.7
415.10107	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81099	2.7
53.54598	2.5
56.96553	8.5
69.03418	3.5
70.06590	12.2
70.69334	8.5
72.08150	3.0
82.80169	2.6
85.02901	6.0
92.91822	2.7
97.02847	4.0
98.97547	15.2
101.00861	4.2
109.02837	2.8
110.97534	3.5
111.64063	2.5
112.99136	9.4
114.86438	2.5
115.02421	5.8
116.98576	10.1
119.01953	12.3
127.03915	4.5
129.04001	3.0
131.00146	21.6
131.01892	3.1
133.03458	44.3
134.99635	7.3
136.01514	2.6
136.06165	7.6
141.03987	4.5
143.00179	4.4
143.01894	3.8
146.97299	2.6
147.05113	3.3
149.01228	18.7
149.04694	3.2
151.04483	12.0
155.01871	3.7
157.03502	4.3
159.05042	20.8
161.01251	3.4
161.02942	9.5
162.04092	5.1
162.22453	2.4
167.02258	2.6
173.01396	3.1
173.02895	11.5
175.02757	3.1
175.04489	3.4
177.00772	5.5
177.02457	4.0
177.06046	17.3
179.02222	3.9
182.99643	8.0
185.02997	4.4
189.00674	3.9
189.06108	2.7
193.03877	6.2
195.07118	12.1
197.03165	3.5
201.00702	27.4
201.02351	5.4
201.05974	4.7
205.03754	5.3
207.05341	3.0
208.26450	3.0
211.04800	8.3
219.01665	7.7
219.03601	14.7
219.07071	18.5
229.05557	9.3
231.07066	4.0
233.04930	3.9
235.04807	3.0
239.04370	10.3
245.05028	4.2
247.06593	4.6
251.04346	5.0
259.06766	3.5
269.05048	2.9
277.07770	89.9
281.10034	3.1
293.05435	4.0
295.08719	22.0
295.12363	14.3
297.08411	2.9
327.03949	7.0
333.40964	2.8
345.04877	5.4
369.05679	21.0
413.04730	100.0
413.13412	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	413.1414
Annotation	t(6)a
Peak:m/z	Relative Intensity
64.55556	0.7
67.05480	0.8
70.06588	3.6
70.65850	2.5
72.08141	0.8
74.06068	2.5
84.08132	1.7
85.02905	1.0
86.09714	0.8
87.98458	0.7
94.46532	0.6
97.02871	0.8
102.05525	1.0
116.98570	1.0
119.03545	2.8
119.05007	0.8
120.06567	8.6
136.06177	100.0
137.04550	1.6
147.04411	1.3
162.04105	56.6
184.45256	0.7
268.10464	0.8
281.09918	45.4
282.10022	0.9
368.30707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.05491	2.6
56.03928	1.5
56.05026	1.7
57.03428	1.9
59.05012	1.5
60.04509	4.3
61.01131	1.4
61.02939	1.9
67.05469	2.3
69.03414	14.7
69.07069	2.0
70.06586	34.9
71.04972	2.6
71.06907	1.6
71.15878	3.0
72.08155	11.8
73.02909	2.6
73.06564	2.3
74.06074	2.1
81.03421	13.4
81.07056	2.1
83.04987	2.4
84.04499	7.1
84.08133	17.1
85.02901	64.0
86.06101	2.1
86.09695	19.0
91.05463	4.0
95.06091	1.8
97.02889	19.0
98.05375	1.7
98.06133	1.4
99.04445	39.9
102.05518	1.7
103.03931	92.9
105.03362	2.6
107.04930	3.0
109.02851	13.7
110.07129	4.8
111.04432	3.2
116.07110	3.6
119.04900	2.1
120.08091	4.8
121.02848	1.4
127.03903	100.0
129.10231	10.0
134.06049	3.0
136.07582	3.6
138.55934	1.7
145.03079	2.5
145.04950	62.6
147.04416	9.1
148.07565	2.5
163.03932	3.0
163.06000	63.7
166.04979	2.2
168.44362	1.7
176.03479	1.7
177.00702	1.6
177.05487	4.7
187.06038	3.8
199.68689	1.6
205.06995	2.7
207.89706	1.7
222.07428	1.7
271.08118	5.6
275.13739	2.0
289.09216	3.6
301.10333	2.0
307.10242	13.1
396.12811	3.7
408.74350	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	412.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63539	0.9
53.03935	6.7
55.01870	9.6
55.05494	2.1
56.96550	1.9
57.03424	5.9
61.02909	5.7
61.73550	0.9
65.03952	1.0
67.05489	2.1
68.99779	2.6
69.03423	33.3
69.07064	10.3
69.88022	3.2
69.88427	2.2
70.06593	5.6
71.04979	7.1
72.08154	2.6
72.25548	1.0
73.02901	6.9
79.05487	2.5
81.03407	27.7
81.07050	2.0
83.01324	2.2
83.04952	1.3
83.08591	1.3
84.04469	1.5
84.08143	5.4
85.02895	100.0
86.03244	1.4
86.09688	4.1
87.00290	2.4
87.00819	42.1
87.04452	1.5
87.08094	14.3
91.03934	2.9
91.05472	2.7
93.07054	2.8
95.04925	1.0
95.08576	1.5
96.05318	1.0
97.02882	44.8
97.06512	2.4
98.03223	1.2
98.21438	1.2
98.97600	1.2
99.04444	15.5
105.01855	66.1
105.07023	2.8
107.04955	1.2
107.08598	1.4
109.02869	32.3
109.10181	1.4
111.04404	1.6
111.08018	1.1
115.03902	1.8
117.01824	3.7
119.08507	2.0
119.10686	3.5
120.08083	1.4
127.03902	81.0
129.01811	3.3
129.10216	1.9
136.07533	2.3
145.04945	39.8
145.10028	1.2
146.06020	1.9
147.02869	2.7
147.10139	8.6
157.06458	1.0
159.02870	19.0
164.07088	1.3
189.03951	2.0
190.04904	1.1
191.05353	1.3
192.42853	0.9
198.06219	0.8
210.74646	0.9
213.03912	3.8
231.04956	19.5
249.06036	4.2
326.11749	1.6
333.99615	1.2
396.07941	1.2
412.20129	11.6
412.26819	3.3
413.25046	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	411.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	19.7
55.99875	4.9
56.05418	5.1
57.07065	16.7
59.56347	5.1
65.03932	5.2
67.05497	42.1
67.76369	5.1
69.07061	50.9
70.85336	12.0
70.85707	11.3
79.05482	21.8
79.74549	5.1
81.07049	100.0
82.38358	5.9
83.08607	19.6
90.61946	5.5
91.05462	19.1
93.07035	47.1
93.71562	5.9
94.06738	6.4
95.08600	86.5
105.07011	45.8
107.08585	39.1
109.10149	83.3
111.56009	5.4
119.08554	50.6
121.10121	36.2
123.11690	73.4
123.15290	6.5
131.08565	24.1
133.10121	36.6
135.11659	18.1
137.13194	13.7
143.08553	7.7
145.10100	34.4
147.11664	25.4
157.10120	13.1
159.11668	20.5
161.13235	12.3
171.11676	9.6
173.13232	17.0
175.14897	10.3
185.13251	10.2
186.14046	7.6
187.14745	7.7
199.14832	9.7
201.16359	25.3
203.17912	7.2
215.17937	66.9
221.91469	5.2
227.17990	26.3
233.18965	34.5
241.19620	6.9
245.18997	20.6
269.22589	6.4
285.25540	9.6
285.65524	5.8
287.23837	6.6
385.83014	6.9
393.35153	21.0
411.36136	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	411.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01871	2.9
55.05507	72.0
56.05022	4.7
56.05841	19.1
57.03423	4.4
57.07077	2.0
58.99578	9.8
58.99820	1.7
60.99158	24.2
61.99492	2.6
63.00707	2.3
65.03939	1.6
67.05488	12.0
69.03427	11.2
69.07073	8.9
69.58905	8.3
69.59315	3.1
70.02946	1.7
70.06593	27.9
71.04988	6.9
72.08143	8.2
75.00718	2.0
76.02222	4.8
76.03985	8.7
77.04346	1.7
78.01809	10.6
79.02120	2.7
79.05487	12.8
80.05015	1.4
81.03410	4.5
81.07052	41.5
82.06568	1.5
82.07376	1.7
83.04974	7.7
83.06088	3.6
83.08614	73.5
83.65851	1.5
84.04082	1.3
84.04501	35.2
84.08189	9.6
84.08939	36.5
85.02885	8.2
85.04366	1.6
85.04830	11.1
85.06538	20.0
85.09288	1.8
86.09713	11.3
86.99044	6.1
88.02211	1.6
88.98619	22.2
89.98962	3.5
90.01774	5.2
91.02097	1.8
91.05479	14.1
92.92279	1.5
93.03390	1.4
93.06463	2.6
93.07034	30.9
95.04980	11.4
95.08597	17.2
97.02870	3.7
97.06531	8.3
97.10124	1.9
98.97571	1.9
99.04404	2.1
99.05570	3.5
99.08090	8.8
100.69691	1.5
101.06017	3.9
101.09674	3.2
102.05511	1.7
102.09993	2.4
103.03886	2.5
105.07038	12.9
107.04942	4.1
107.08585	22.6
109.02881	3.1
109.06511	8.4
109.10170	10.4
110.07159	3.3
110.09657	1.8
111.08068	11.2
113.09664	1.8
116.01669	25.6
116.07062	2.3
116.98586	2.2
117.02037	10.3
117.05407	1.7
117.07001	1.6
118.01250	74.6
118.02084	3.9
119.00867	2.3
119.01592	22.4
119.04927	5.2
119.08578	11.8
120.08114	6.0
121.06454	3.0
121.10128	16.9
122.05987	2.4
123.04366	2.0
123.08084	9.6
123.11720	8.2
125.09634	10.9
127.03961	2.3
128.07085	4.8
129.06577	3.8
129.09122	5.5
129.10187	3.1
130.04993	6.7
130.06927	2.3
131.05318	4.2
131.06888	2.3
131.08588	3.0
133.10132	5.8
135.04427	1.8
135.08063	7.7
135.11682	8.4
136.07564	2.3
137.09586	3.1
139.11188	6.1
141.09048	1.7
143.08546	2.3
144.01129	8.5
144.02800	4.3
145.01466	6.5
145.03137	2.0
145.06233	1.9
145.10133	6.5
146.00687	33.6
146.01686	3.4
146.09639	3.3
147.01062	10.1
147.04379	11.4
147.11667	4.5
149.06007	1.9
149.09613	7.2
150.05502	1.9
151.03896	9.4
151.11214	3.5
157.10153	2.3
159.08354	10.7
159.11732	2.8
160.08707	8.3
161.05952	2.0
161.07941	34.8
161.09036	2.5
161.13190	2.1
162.02190	27.1
162.05426	1.6
162.08275	27.9
163.02567	15.7
163.07486	2.7
163.11174	12.9
164.01703	100.0
165.02077	49.3
165.12717	2.6
166.02254	2.1
166.80194	1.6
167.03297	2.0
167.10648	2.6
169.12184	4.0
169.13423	2.2
172.02200	1.8
173.13248	2.1
175.11180	2.7
175.14789	4.9
177.05487	3.3
178.10580	4.9
179.10927	3.2
181.12247	3.1
189.12502	1.5
189.16368	2.4
193.15877	3.3
197.12924	3.7
199.13286	6.1
201.12376	4.7
202.12625	2.4
203.05266	9.5
203.14369	2.2
205.15912	1.6
213.16409	2.5
218.20578	1.5
221.15369	8.5
230.93550	1.7
231.09869	2.7
234.99208	1.6
239.16443	5.8
247.10066	2.5
249.13483	1.7
253.17863	2.0
262.11182	3.4
263.11444	7.5
264.10669	27.0
265.10980	46.1
266.11240	3.7
267.10840	3.3
267.19540	2.3
273.14786	1.9
274.10733	2.2
280.13962	3.0
281.13327	8.7
282.13675	19.0
290.10135	1.9
291.10794	1.9
303.23209	6.0
309.11804	3.1
309.24252	2.2
321.24326	7.4
335.14716	2.4
336.14734	16.0
339.25067	2.5
350.19482	3.2
356.28787	1.6
361.18512	1.7
385.41379	1.9
393.11096	3.1
411.15851	35.7
412.15506	5.4
412.19629	9.1
436.82040	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	411.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
57.03424	0.7
67.05505	0.9
69.03414	1.5
69.07050	0.8
70.06576	1.7
70.28848	1.9
71.04979	0.5
72.08162	1.0
79.05492	0.8
81.03411	0.7
81.07047	1.0
83.04983	0.5
84.08154	1.2
85.02908	0.6
85.06519	0.9
86.09703	1.1
87.70493	0.4
90.56857	0.4
91.05472	1.1
92.56615	0.5
93.07031	1.3
95.04957	0.6
95.08599	1.1
105.07006	0.5
105.63894	0.4
107.08635	0.6
111.08028	0.5
121.10113	0.8
129.10258	0.6
132.27596	0.4
143.01967	0.5
145.07574	0.9
147.08087	0.8
147.09167	8.7
150.48119	0.4
161.02934	1.0
162.36810	0.6
163.03903	0.5
191.08156	7.6
195.04520	0.5
195.08525	0.5
207.08621	2.4
225.09692	1.0
245.12930	0.5
249.09506	3.4
255.10719	0.7
263.13934	0.6
267.10703	7.7
281.14966	5.6
285.11835	1.3
291.10818	1.7
297.42395	0.5
307.12772	1.0
309.11804	3.1
315.83286	0.4
325.13950	9.5
348.53735	0.5
350.13403	0.8
351.12906	1.4
394.12463	3.1
411.16129	100.0
412.16437	2.0
430.71979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86769	1.5
53.03930	3.3
55.01848	6.3
55.05505	14.0
56.05013	5.2
56.96552	2.1
57.03420	6.3
57.07049	2.5
60.04502	3.2
60.31827	1.3
67.05501	16.5
69.03421	14.4
69.07056	10.6
70.06588	60.7
70.13069	7.5
71.04965	6.4
71.06919	3.5
72.08148	17.7
74.06046	3.0
79.05486	11.3
81.03410	8.8
81.07053	38.5
83.04954	7.1
83.06074	2.4
83.08587	4.6
84.04494	8.0
84.07676	2.3
84.08139	22.7
85.02897	11.4
85.06063	1.9
85.06534	25.1
85.08454	2.6
86.06033	5.7
86.09297	1.7
86.09705	19.7
87.05552	2.8
88.03945	1.8
91.05475	16.4
93.06477	1.8
93.07036	34.5
95.01319	11.3
95.04961	17.8
95.08607	20.8
97.02855	6.9
97.06528	8.7
98.21458	1.9
99.04415	5.0
99.08114	9.6
101.05960	4.2
101.07087	2.1
105.07040	13.5
107.04918	6.8
107.08594	20.2
109.02897	7.6
109.06485	6.9
109.10165	12.2
110.07124	4.8
111.04405	4.3
111.08082	13.7
113.05978	2.3
113.09612	3.5
115.08715	2.8
116.07040	4.6
116.90233	1.4
117.06973	5.1
118.01255	1.6
119.01839	2.1
119.04893	3.0
119.08559	12.4
120.08097	11.2
121.06545	7.7
121.07395	1.7
121.10125	17.8
123.04414	5.6
123.08060	7.3
123.11703	8.6
125.09571	6.8
127.03858	6.9
127.07561	1.7
129.07022	1.7
129.09076	13.3
129.10190	16.3
130.04919	1.9
131.04858	1.4
131.08533	2.6
133.10109	8.9
135.04384	2.5
135.08008	6.7
135.11722	9.4
136.07542	7.1
137.05910	2.4
137.09540	3.8
139.03804	1.5
139.11102	5.3
141.09081	2.8
145.06444	2.5
145.10075	4.6
147.04347	5.6
147.11589	4.5
149.09573	7.0
149.13228	2.0
151.03842	2.6
151.11142	3.5
157.09970	2.1
159.04854	1.8
159.11592	3.7
161.05939	2.8
161.09587	2.6
161.13226	3.0
162.02147	2.0
163.03845	4.1
163.07523	15.9
163.11188	10.6
165.12761	2.2
167.03137	3.2
167.10609	2.4
169.12088	3.8
169.13318	9.6
171.11559	2.8
173.12895	3.6
175.11131	2.8
175.14740	5.5
177.16331	1.6
179.98068	2.1
181.08546	6.8
181.12129	6.4
183.09898	4.4
183.13689	2.0
193.15845	4.3
197.12920	9.7
197.99144	2.7
199.13197	3.7
201.12263	1.9
203.05193	2.5
207.08501	2.1
207.13722	1.7
209.08015	2.3
213.18315	2.5
221.15361	2.6
226.15358	1.9
235.13164	3.2
237.18518	2.0
239.16383	4.1
249.18404	2.2
267.10638	6.2
268.15225	1.9
268.69519	1.6
273.14709	3.9
285.11731	2.0
296.19464	3.1
301.14243	4.0
303.04892	2.1
303.23196	7.6
309.11627	3.1
319.15344	2.6
321.24277	8.7
339.25064	2.4
342.96927	1.9
375.17816	1.9
398.96365	1.7
409.72418	1.8
411.15933	100.0
412.19998	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	411.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01865	1.3
55.05495	3.1
56.05014	1.6
56.96552	1.7
57.03433	5.6
61.02923	2.1
65.03907	0.8
67.05483	2.2
69.03424	11.9
69.07054	1.6
69.59029	2.4
69.59457	3.0
70.06591	10.9
70.30095	0.7
71.01345	2.5
71.04992	3.8
72.08152	4.9
73.02902	3.1
79.05476	1.7
80.04968	0.8
80.84536	0.7
81.03404	3.2
81.07064	4.4
82.06590	1.3
83.04984	3.3
83.08578	0.8
84.04493	2.6
84.08136	5.9
85.02904	2.3
85.06522	2.1
86.09703	3.6
87.04462	1.1
91.05481	2.7
93.07043	3.4
95.04977	1.4
95.08599	2.0
97.02868	2.5
97.06524	1.5
98.06061	1.0
98.97574	2.2
99.04452	3.2
99.08075	1.4
101.05991	1.8
105.07023	1.6
106.02876	1.8
107.04951	0.9
107.08591	1.9
109.02873	1.8
109.06502	1.4
109.10138	1.7
110.07156	1.5
111.04440	0.7
111.08083	1.3
115.08668	0.8
116.07128	0.7
116.98628	1.7
117.05489	1.0
118.06528	1.0
119.04923	1.0
119.08563	1.0
120.08081	1.8
121.10132	1.9
123.08090	1.0
123.11665	1.0
124.03930	3.1
125.04265	1.0
127.03902	2.4
127.11227	0.8
128.07086	1.7
128.98589	1.2
129.09235	1.0
129.10214	3.2
130.68073	0.7
132.06807	0.8
132.08060	0.8
133.10051	0.8
134.99632	1.1
135.04398	0.7
136.07571	1.2
141.09085	2.3
145.07588	6.7
146.08386	3.1
147.04469	4.4
147.09164	100.0
148.09477	1.4
159.09145	3.4
160.09959	1.6
162.05518	1.6
163.03883	1.4
163.07518	1.0
163.13309	0.9
173.07050	1.1
173.10754	1.4
177.00699	1.4
177.05489	1.5
184.09898	1.0
185.10699	3.6
187.08788	1.0
188.54961	2.7
191.08147	91.7
192.08455	2.1
197.10794	0.8
199.12206	1.0
202.10974	0.9
217.14325	0.9
225.10236	1.2
232.04872	0.8
234.98936	0.8
236.55988	9.9
237.02591	1.0
239.11682	0.8
239.16475	1.4
245.56403	1.2
250.07103	1.0
263.13837	6.9
269.08667	0.9
271.10797	0.9
281.14948	53.7
282.15161	1.4
289.11368	0.9
307.12888	15.9
323.04364	0.9
325.13931	99.5
326.14194	1.8
339.25876	0.8
344.87497	0.8
350.13513	5.3
358.07950	1.7
391.58710	0.7
394.12415	25.3
411.11584	1.0
411.16275	2.3
411.21298	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	411.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75581	0.6
53.03931	1.3
55.01850	1.0
55.05496	1.7
57.03428	4.4
61.02908	0.8
65.03947	1.0
67.05486	2.7
69.03432	9.1
69.07056	1.0
69.34353	6.6
69.99296	0.6
70.06587	4.9
71.01357	1.2
71.04976	2.9
72.08123	2.3
73.02901	1.7
75.04472	0.8
79.05483	2.1
81.03406	4.5
81.07037	2.6
83.04971	1.7
83.06080	0.8
83.08576	0.6
84.04488	1.3
84.08141	3.9
85.02905	3.1
85.06535	1.3
86.09690	5.5
91.05475	5.0
92.98619	0.6
93.07049	3.0
94.43753	0.6
95.04970	3.1
95.08580	1.5
97.02879	2.2
97.06522	0.7
98.97578	0.8
99.04443	3.7
105.06999	1.7
107.04938	1.6
107.08575	2.1
109.02898	1.1
109.06519	1.2
109.10153	1.3
110.07152	1.0
111.04388	0.8
116.07090	0.8
117.05509	1.1
117.07007	0.7
118.06540	2.1
119.04930	4.1
119.08557	1.3
120.08101	5.6
121.06466	1.3
121.10112	1.5
123.08092	1.0
127.03883	1.9
129.10182	2.2
131.08554	0.8
132.06801	1.3
133.10095	0.8
135.04381	0.7
135.08047	0.9
136.07523	1.5
141.06534	0.7
143.08466	0.6
145.07597	5.3
145.10130	0.7
146.08357	1.0
147.04422	10.5
147.09163	93.3
148.09471	1.7
149.09650	0.9
150.05449	0.6
151.11185	0.7
157.10022	0.7
159.09203	3.7
160.10060	0.7
161.09596	0.9
161.10751	1.4
161.13272	0.7
163.03821	1.1
163.11168	1.0
165.09064	0.7
173.07214	1.0
173.10759	0.7
175.08583	0.8
176.07111	1.8
177.05605	0.8
177.07387	2.1
184.07280	1.1
185.10703	1.1
189.10196	2.1
191.08147	95.5
192.08449	1.4
203.05267	1.1
204.06554	1.9
205.06900	1.7
215.11601	0.6
219.11296	0.7
231.13730	0.9
252.69473	0.6
263.13867	3.7
271.10632	0.7
273.14975	1.1
281.14941	46.4
282.15298	1.3
285.92166	0.6
289.11755	1.2
301.14294	1.5
307.12866	11.7
322.13882	1.3
325.13931	100.0
326.14191	4.0
331.09842	1.2
350.13474	9.9
351.12039	0.7
376.11481	3.6
394.12448	34.6
395.12848	1.1
411.19958	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
54.34937	0.8
55.01854	2.1
55.05502	3.7
56.05022	1.9
56.96535	1.3
57.03427	4.5
60.04525	1.7
61.01124	1.6
61.02917	2.7
61.46721	0.9
62.81194	1.0
65.03941	1.3
67.05494	3.6
69.03419	13.1
69.07052	3.2
70.06585	15.4
71.02464	1.0
71.04987	3.5
71.60344	2.0
71.60735	1.0
72.08148	8.2
72.89725	1.0
73.02916	2.1
74.06081	1.9
75.04483	1.3
79.05488	3.8
81.03447	4.6
81.07047	5.2
82.06584	1.2
83.04955	1.6
83.06068	1.2
83.08598	1.5
83.69296	0.9
84.04499	3.0
84.08144	11.5
85.02895	5.3
85.06537	3.0
86.09691	11.4
87.00790	1.0
91.05481	5.4
93.07043	3.6
95.04955	5.0
95.08599	3.4
97.02879	3.5
97.06517	1.7
98.97603	1.6
99.04454	4.2
105.07054	2.3
107.04934	1.8
107.08556	2.6
109.02887	1.9
109.06506	1.1
109.10159	3.1
110.07169	3.1
111.08093	1.1
115.08681	1.4
116.07152	1.0
117.07000	1.3
118.06553	1.5
119.04945	3.4
119.08544	2.9
120.08112	5.2
121.06512	1.9
121.10176	2.2
123.04399	1.9
123.08070	2.0
125.09680	1.2
127.03894	2.7
129.10214	5.4
130.04974	1.3
133.10124	1.2
135.08058	1.3
135.11720	1.3
136.07568	4.5
136.15361	1.0
137.05957	1.3
137.07901	2.2
143.08495	1.4
145.02850	1.9
145.06485	2.1
145.07620	6.1
145.10112	1.5
147.04443	3.3
147.09155	98.3
149.09621	2.2
152.01796	1.3
155.08353	1.5
159.09152	5.7
160.09943	2.0
161.10713	1.3
161.13300	1.0
163.03865	7.1
173.07100	1.3
173.10681	1.4
177.00720	1.4
177.05423	1.5
185.00276	1.0
185.10788	2.2
189.10193	1.7
191.08144	87.9
192.04056	1.4
192.08594	1.9
203.05319	1.3
219.01787	1.3
219.11267	2.2
230.21307	1.2
235.16965	1.8
245.09201	1.2
245.12852	7.5
252.10539	1.2
259.08261	1.9
263.13867	5.8
267.10776	3.2
271.18973	1.5
281.14938	56.1
282.15247	1.3
289.11707	1.1
301.14291	1.6
307.12900	11.1
324.15237	1.1
325.13910	100.0
325.58304	1.1
326.14301	2.6
332.12494	1.1
339.20627	1.1
347.13318	1.5
350.13351	8.0
351.12976	1.0
365.14679	1.4
365.85507	1.2
376.11380	1.9
393.14340	2.2
394.12347	29.5
411.16025	55.1
411.20007	12.8
412.19882	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.1
55.05511	21.7
56.03972	3.4
57.07053	10.6
59.04981	4.5
67.05500	28.3
69.03429	6.1
69.07050	9.9
70.12830	17.1
79.05483	23.0
81.07050	37.2
83.04974	8.1
83.52992	3.4
85.06521	5.5
89.49547	3.4
91.05468	52.0
93.07033	61.6
94.07341	4.4
95.04960	57.2
95.08599	40.5
97.06503	9.0
103.05486	4.6
105.07023	100.0
107.08575	38.3
109.06503	14.9
109.10137	11.7
117.06992	16.2
119.07785	5.9
119.08571	71.3
121.06474	16.9
121.10194	23.1
123.08076	25.9
128.06227	6.0
129.06952	8.1
130.07762	5.1
131.08548	33.9
133.06483	3.9
133.10129	31.0
135.08051	22.1
135.11636	7.8
137.09598	15.0
141.29286	3.7
142.07771	14.2
143.08600	23.8
144.09315	4.4
145.10098	38.9
147.08037	23.1
147.11668	36.5
149.09612	11.5
151.07556	32.5
155.08513	11.9
156.09326	6.8
157.10136	27.4
159.08023	10.3
159.11693	18.2
161.09550	10.2
161.13258	6.0
163.11142	5.1
165.09096	34.5
168.09305	7.0
169.10120	14.4
171.11638	14.0
173.09607	4.7
173.13220	9.6
175.11195	23.4
177.09155	4.7
177.74780	3.7
181.10152	8.8
183.11664	17.1
187.14771	4.0
189.12720	7.5
197.13220	6.2
199.11310	4.5
201.12686	7.1
203.14314	11.6
207.13800	11.0
209.09651	3.8
209.15276	6.1
211.14882	7.5
215.14296	5.0
216.14922	4.6
219.13805	6.7
221.13342	6.1
221.15341	69.9
223.14659	4.5
229.15822	7.3
234.16130	10.8
234.71552	3.6
235.14539	4.0
241.15712	4.8
286.19159	8.6
287.19882	7.4
300.20670	3.8
316.06555	3.6
329.20963	6.5
391.26273	5.0
409.27344	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.05514	20.5
57.07067	9.2
59.04994	5.8
67.05502	27.1
69.03421	8.7
69.07045	7.9
71.61028	3.5
79.05499	24.1
81.07050	43.8
83.04975	8.2
83.08620	5.0
85.06550	2.7
91.05481	36.4
93.07039	49.3
95.04967	57.2
95.08601	40.0
97.06502	12.6
99.33022	2.8
105.07021	100.0
107.08575	33.2
109.06516	17.3
109.10146	15.5
115.05505	3.4
117.06995	12.7
119.08579	63.8
121.06488	21.4
121.10125	19.7
123.08071	24.4
123.11715	3.4
128.06190	5.5
129.07008	10.6
130.07794	4.3
131.08539	27.1
133.06508	5.5
133.10135	28.5
135.08075	14.4
135.11668	12.3
137.05984	3.0
137.09630	10.0
139.11139	3.2
142.07788	11.7
143.08557	20.6
144.09334	3.5
145.10110	37.5
147.08006	14.7
147.11676	37.9
149.09642	13.7
151.07541	31.4
154.07736	3.0
155.08533	11.4
156.09383	6.8
157.10132	29.5
159.08046	7.7
159.11688	17.3
161.09628	11.3
161.13243	7.4
163.11186	5.5
165.09105	35.9
167.08516	2.9
168.09332	7.2
169.10138	17.9
171.11664	14.5
173.09627	7.9
173.13264	8.6
175.11198	23.3
177.09099	5.1
179.08424	3.4
181.10158	4.3
182.10875	3.2
183.11722	14.7
185.13298	6.0
187.11105	4.5
187.14835	3.3
189.12781	8.9
191.14429	3.0
195.11731	5.7
197.13350	4.4
199.11177	3.5
201.12758	10.9
203.14331	11.4
207.11890	3.4
207.13846	9.2
209.13278	5.1
209.15242	3.5
211.14848	5.0
213.12689	3.4
215.14273	3.1
219.13689	5.2
221.15349	68.3
223.14903	5.1
229.15820	5.3
231.13857	4.1
233.15326	5.3
234.16151	11.6
237.14471	2.9
286.18997	3.4
287.20023	7.4
292.09000	2.4
300.20764	5.5
317.21490	2.9
329.21143	6.6
391.26382	6.0
399.96982	2.9
409.19275	4.3
409.21130	3.0
409.27283	61.7
409.33459	3.6
410.27283	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01863	2.2
55.05509	17.6
57.03442	1.6
57.07070	5.8
59.04994	2.7
65.03931	3.2
67.05502	17.1
67.13018	1.0
69.03419	8.7
69.07068	7.9
69.68504	7.5
71.04990	2.3
79.05483	18.5
81.03392	2.4
81.07049	28.3
83.04967	4.1
83.08598	2.5
85.06518	3.4
89.46384	1.1
91.04896	1.5
91.05469	37.5
93.07034	43.3
95.04960	51.4
95.08598	26.2
97.06517	7.0
103.05456	3.0
105.04558	1.9
105.07020	100.0
106.07354	2.4
107.04965	2.3
107.08580	21.3
108.05725	1.2
109.06487	12.6
109.10146	9.9
111.08018	1.2
115.05453	2.2
116.06221	1.3
117.06996	12.6
119.04936	2.3
119.08569	61.5
120.08797	1.2
121.06503	12.9
121.10129	14.3
123.08057	17.0
128.06192	3.4
129.06976	6.8
130.07762	4.6
131.08556	19.8
132.09244	1.2
133.06473	5.8
133.10123	18.2
135.08057	12.8
135.11702	4.2
137.05925	1.4
137.09616	7.7
141.06993	3.3
142.07779	12.1
143.08536	14.0
144.09306	4.2
145.06474	2.6
145.10109	30.6
146.10965	1.4
147.08026	18.0
147.11673	42.0
149.09608	10.4
151.07529	17.0
153.06952	1.8
153.09134	3.5
154.07787	1.3
155.08484	7.9
156.09358	6.3
157.10106	19.2
158.10826	1.8
159.08047	5.1
159.11694	11.5
160.08810	1.2
161.09624	6.8
161.13234	3.8
163.11163	3.0
165.06989	1.5
165.09102	34.3
167.08568	3.6
168.09326	3.5
169.10124	8.2
170.10870	3.0
171.11632	7.9
173.09656	4.0
173.13210	7.5
174.10297	2.1
175.11172	28.9
175.14856	1.7
177.09117	4.6
178.09967	1.8
179.08623	1.5
181.10110	3.1
181.12218	1.8
182.10933	2.1
183.11708	9.7
185.09602	1.2
185.13185	5.4
187.11197	3.4
187.14850	3.0
189.12711	4.2
191.14325	1.5
193.10124	3.0
195.11729	2.6
196.12387	1.5
197.09613	1.2
197.13246	2.7
199.11168	3.1
199.14888	2.7
200.12003	1.4
201.12729	6.5
201.16353	1.7
203.14308	12.3
207.11740	3.6
207.13838	6.2
209.13264	2.5
209.15323	1.8
211.11218	1.4
211.14827	4.9
213.12680	3.1
215.14307	2.7
216.15083	1.9
217.12151	1.3
219.13788	4.7
221.15327	51.8
222.15581	1.3
223.14806	2.0
225.16264	1.3
229.15924	3.5
231.13762	2.5
233.13176	1.6
233.15324	3.0
234.16116	18.5
247.16951	1.2
267.17368	1.2
271.16928	1.1
278.49930	1.3
286.19263	3.6
287.20096	5.8
300.20786	3.6
312.20865	2.2
329.21085	3.9
391.26312	3.5
409.27325	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	409.2734
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03923	2.4
54.44131	2.0
55.05505	20.1
57.07065	6.6
59.04986	4.0
64.61086	1.5
65.03941	2.6
67.05501	21.4
69.03440	10.4
69.07062	9.9
71.04995	3.6
79.05487	22.1
81.03410	3.2
81.07048	33.6
83.04963	5.8
85.06515	4.6
90.69124	1.6
91.04903	1.8
91.05473	37.2
92.84001	1.7
93.07037	43.4
95.04962	55.7
95.08599	26.5
97.06528	6.6
98.21492	4.1
103.05466	3.4
105.07022	100.0
106.07322	2.6
107.04941	2.6
107.08581	27.2
109.06496	12.2
109.10140	9.6
111.08061	2.8
114.72658	1.7
115.05421	3.4
116.02473	1.7
117.07004	14.4
119.04912	2.4
119.08569	62.1
120.08803	1.7
121.06483	13.8
121.10130	13.7
123.08046	17.8
125.05923	2.2
128.06200	3.6
129.05464	3.2
129.06963	7.7
130.07758	4.8
131.08554	23.5
133.06474	4.0
133.10129	15.6
135.08076	13.4
135.11656	6.7
137.09619	11.5
141.06982	3.4
142.07765	13.6
143.08571	12.1
144.09314	3.1
145.06456	2.3
145.10112	36.0
146.10880	1.9
147.08047	16.5
147.11674	42.1
149.09599	11.4
149.13208	1.8
151.07529	19.9
153.09070	2.0
155.08536	7.0
156.09306	3.5
157.10106	18.0
159.08031	4.1
159.11693	14.2
161.09598	7.6
161.13217	3.6
163.07550	3.1
163.11169	3.1
165.09116	36.0
167.08499	1.7
168.09312	3.1
169.10147	10.1
170.10945	3.0
171.11661	9.5
173.09601	6.2
173.13184	7.8
175.11194	32.4
175.14801	2.4
177.09079	3.3
178.09801	2.8
181.10094	3.4
181.12288	2.2
182.10942	2.0
183.11719	11.3
185.09697	2.6
185.13239	3.3
187.11143	7.0
187.14825	3.1
189.12706	5.6
191.14293	2.1
195.11717	3.9
197.09659	1.9
197.13240	4.7
199.11169	4.0
201.12683	8.2
201.16382	2.0
203.14275	15.7
207.13821	5.4
209.13348	3.2
209.15257	2.7
211.14796	6.4
213.12819	2.5
215.14461	2.0
216.15005	2.0
219.13760	5.4
221.13379	2.4
221.15350	67.9
223.14745	1.8
229.15938	5.7
229.31714	1.9
231.13803	3.3
233.15399	2.3
234.16122	19.8
269.19052	2.3
286.19296	2.8
287.20068	8.1
300.20718	4.0
329.21146	5.1
391.26251	5.6
409.27246	38.5
410.27713	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	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.9
57.07067	10.0
59.04992	4.1
61.53031	2.9
62.12830	2.9
67.05492	31.0
69.03419	9.3
69.07069	15.1
71.60918	5.3
79.05491	24.0
81.07051	32.7
83.08609	5.0
85.06501	3.3
86.36356	3.1
91.05482	40.9
93.07034	48.4
94.22447	3.5
95.04957	55.6
95.08607	29.2
97.06523	14.1
105.07027	100.0
107.04906	3.9
107.08610	25.0
109.06511	13.6
109.10145	16.3
111.08080	5.2
115.05462	3.5
117.07043	19.1
119.08577	70.2
121.06492	18.1
121.10137	18.5
123.08056	19.0
129.06999	5.8
130.07796	3.9
131.08542	20.8
133.06451	4.0
133.10117	19.3
135.08038	12.4
135.11676	5.6
137.09639	11.5
141.06978	5.3
142.07803	12.5
143.08522	17.0
144.09344	5.7
145.06488	3.6
145.10100	38.4
147.08009	19.3
147.11671	42.9
149.09605	7.3
151.07538	19.1
155.08507	8.6
156.09315	5.9
157.10104	23.4
159.11687	18.2
161.09656	6.9
161.13243	5.9
163.11162	5.1
165.09087	31.2
167.08488	4.6
168.09354	5.4
169.10112	10.4
171.11638	7.1
173.09595	5.2
173.13289	8.5
175.11154	20.6
175.14729	5.1
177.09091	4.0
181.10106	4.7
181.12163	4.6
183.11644	15.7
187.11049	3.5
187.14789	3.8
189.12720	5.4
194.10956	3.2
197.13341	4.5
199.14865	4.9
201.12735	7.9
201.16356	3.9
203.14371	12.3
207.13806	7.0
209.13243	5.3
209.15253	4.3
211.14847	7.8
219.13828	3.5
221.13239	2.6
221.15335	64.5
229.15822	4.3
233.15218	4.8
234.16139	13.7
286.19138	5.3
287.19998	6.7
288.54312	3.0
292.14249	3.5
300.20630	6.7
329.21194	6.2
391.26273	7.5
409.18326	6.8
409.27295	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.05508	18.2
57.03420	3.1
57.07081	6.6
59.04986	3.8
65.18481	2.7
66.32555	2.9
67.05509	28.3
69.03416	5.3
69.07055	14.4
69.40968	28.7
79.05488	22.4
81.07052	41.5
83.04983	5.0
83.08640	3.8
85.06541	4.5
91.05469	34.5
93.07043	51.5
95.04962	53.9
95.08601	32.4
97.06532	8.0
105.07029	100.0
107.08587	25.3
109.06508	10.5
109.10146	12.6
111.08120	3.4
115.05428	5.0
117.07011	15.9
117.13297	2.9
119.04878	3.4
119.08583	62.7
121.06493	18.4
121.10165	19.8
123.08054	16.7
123.11680	3.7
126.33158	3.0
128.06236	3.7
129.07008	5.1
131.08565	24.2
133.06494	7.1
133.10130	24.0
135.08057	13.7
135.11700	7.0
135.79425	3.2
137.09641	12.2
141.07001	3.4
142.07771	7.7
143.08574	18.6
145.06487	5.9
145.10129	39.4
147.08017	23.1
147.11641	28.8
149.09621	10.0
151.07561	16.7
156.09315	7.6
157.10098	17.7
159.08003	7.1
159.11676	19.3
161.09645	6.0
161.13275	5.5
163.11192	5.3
165.09126	30.5
167.03365	10.6
167.08559	4.8
168.09381	4.8
169.10159	8.8
171.11641	8.5
173.09666	5.2
173.13289	8.6
175.11115	18.8
177.09172	5.8
179.08614	4.8
181.10115	6.5
182.10909	4.6
183.11642	7.0
185.13242	6.5
187.11192	5.5
189.12767	5.3
194.10905	3.5
197.13245	6.8
199.11266	4.6
199.14844	3.5
201.12733	7.6
201.16360	3.7
203.14314	11.8
207.13828	9.1
209.13255	5.1
209.15366	3.4
210.14240	3.4
211.14992	4.4
219.13725	4.6
221.13333	7.2
221.15340	64.2
225.16193	3.2
229.15900	3.9
233.15440	3.7
234.16112	11.7
287.20020	7.6
300.20831	3.1
329.21091	7.4
373.24844	3.6
379.57544	3.4
391.26157	7.5
409.27090	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	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01838	0.5
55.05496	2.3
56.96555	1.0
57.03431	0.9
57.07055	0.9
59.10382	0.6
61.02917	0.9
67.05499	5.9
69.03432	0.8
69.07050	1.4
69.96398	2.0
69.96815	1.0
79.05482	2.5
81.03407	1.6
81.07053	2.6
83.04971	0.7
83.08618	0.9
84.08107	0.5
85.02901	1.8
91.05460	1.8
93.07020	3.1
95.04932	1.1
95.08591	2.3
97.02890	0.9
97.06529	0.8
97.10179	0.6
99.08085	1.2
105.07035	2.1
106.54462	0.5
107.08596	1.4
109.06541	0.9
109.10148	3.6
119.08562	1.8
119.72267	0.6
121.10117	1.2
129.06976	0.7
131.08571	1.0
133.10078	1.1
135.08000	0.6
135.11662	0.8
137.09560	0.6
142.07755	0.9
145.10089	1.0
147.11668	1.1
157.10202	1.0
163.11159	0.6
173.11751	1.5
175.11157	0.7
193.12216	0.7
238.28777	0.6
245.04701	0.8
247.08623	1.0
267.09024	0.7
285.10153	1.3
295.15259	1.5
309.16650	1.2
340.40100	0.6
409.25601	100.0
410.25787	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	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
55.05496	0.6
67.05477	0.6
69.07063	0.5
70.06571	0.8
70.65852	0.7
72.08143	0.6
79.05463	0.9
81.03398	0.5
81.07037	1.0
83.04957	0.5
84.08118	0.6
85.02865	0.3
86.09681	0.5
91.05478	0.8
93.07003	0.7
95.04935	0.7
95.08582	0.7
97.02885	0.4
97.06531	0.5
99.04441	0.2
105.06999	0.9
107.01016	0.4
107.08568	1.1
108.08885	0.3
109.06496	0.4
109.10165	0.5
111.04427	0.2
119.08584	0.5
120.08089	0.6
121.06528	0.4
121.10130	0.4
122.10513	0.2
123.04350	0.2
129.10242	0.3
133.10086	0.4
135.08051	0.4
136.07587	1.0
137.07903	0.7
137.09645	0.3
141.07024	0.2
145.10092	0.4
147.11717	0.3
149.09642	0.4
163.11107	0.5
164.11420	0.3
168.11078	0.3
169.08603	1.4
170.08920	1.3
173.09608	0.3
181.12164	0.3
189.04893	0.7
191.10649	0.3
192.11076	0.6
227.12791	0.8
228.13092	0.9
229.12224	0.3
247.13017	2.8
258.31189	0.3
307.71008	0.3
409.18283	100.0
410.13531	0.6
410.18707	2.1
434.07816	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	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.5
55.05497	1.3
56.96559	0.6
57.03427	0.7
58.96617	0.4
61.02926	0.5
67.05503	4.7
69.03404	0.4
69.07058	1.1
69.70200	1.8
69.70609	1.2
70.05891	0.4
70.06580	0.8
71.04976	0.7
75.21977	0.4
79.05482	1.5
81.03409	0.9
81.07053	3.2
83.04986	0.7
83.08594	0.5
85.02892	0.6
85.06519	0.4
91.03986	0.4
91.05477	1.9
93.07026	2.4
95.04950	1.4
95.08598	1.7
97.02874	0.7
97.06487	0.6
98.20654	0.5
102.17543	0.4
105.07024	1.8
107.08586	2.0
109.10144	2.9
117.07016	0.8
119.08550	1.3
121.10149	0.6
123.08077	0.6
129.06992	0.4
131.08565	0.7
133.10132	0.7
135.11682	1.2
145.10118	0.9
149.57318	0.4
159.11681	0.6
163.03914	1.2
164.04231	0.8
173.11765	0.9
207.06599	0.7
208.06813	1.2
217.19807	0.5
228.23318	1.2
229.14240	0.6
229.23613	0.8
247.08638	0.6
259.40555	0.4
275.19867	0.6
295.15057	1.1
308.26718	0.4
309.16730	0.7
335.21805	0.6
409.25598	100.0
410.25879	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	409.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05494	1.3
56.05020	1.1
56.96546	0.7
58.99574	0.7
60.04522	0.6
67.05492	1.5
69.03409	1.5
69.07037	2.0
70.06590	5.2
71.60636	0.8
72.08165	2.6
74.06050	1.3
79.05467	1.4
81.03397	0.8
81.07043	3.1
83.04981	1.0
83.08603	0.9
84.04479	2.1
84.08136	4.3
85.02859	1.4
85.06523	1.4
86.09692	4.9
91.05463	1.9
93.07037	2.9
95.04961	2.3
95.08598	2.3
97.06508	1.2
99.08064	0.9
101.93388	0.4
102.05506	0.5
105.03372	0.7
105.07004	1.4
107.08572	1.8
109.06534	0.8
109.10177	0.8
110.07150	1.9
111.04380	0.6
111.07423	0.6
111.08090	0.6
112.08694	0.7
113.05927	0.6
116.01649	0.9
119.04930	0.4
119.08589	0.9
120.08090	3.1
121.10130	1.6
123.08027	0.8
123.11704	0.8
125.09674	0.5
129.10208	1.6
131.08578	0.6
133.10120	0.9
135.08034	0.7
135.31551	0.5
136.07576	1.0
137.09659	0.7
147.11595	0.7
149.09608	0.6
156.07713	1.0
161.13336	0.6
162.02145	2.3
163.11195	0.6
166.08574	0.6
167.10657	0.5
177.03293	1.0
177.12756	0.8
180.10190	0.7
183.54349	0.5
189.08325	0.4
191.08144	0.9
191.78893	0.5
195.13885	0.6
201.12679	0.5
213.03809	0.8
219.06261	7.9
223.74016	0.5
233.07820	4.9
233.15379	1.0
237.14813	1.4
261.07257	1.1
269.13086	0.5
299.09549	0.5
317.10254	0.5
363.07932	1.6
409.11002	100.0
409.17978	5.1
410.11038	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	408.2017
Annotation	Ligularidine
Peak:m/z	Relative Intensity
53.03934	0.7
55.01862	1.3
55.05503	1.9
57.03441	0.8
58.93586	0.4
60.04518	0.4
63.26222	0.3
65.03935	1.2
67.05499	2.2
69.03433	2.6
69.07072	2.0
69.34970	3.6
70.06596	0.8
71.05003	2.6
72.19968	0.4
79.05494	6.5
81.03446	0.6
81.07059	6.1
83.04967	1.1
83.08624	0.5
84.04494	0.5
84.08131	0.7
85.06520	1.0
86.09686	1.5
91.05477	21.0
92.05807	0.4
93.06461	0.9
93.07043	16.5
95.04968	4.3
95.08606	2.0
97.02901	0.6
97.06493	2.0
98.06054	0.5
98.20722	0.9
99.04449	1.2
100.07579	0.4
103.05451	1.0
105.07032	14.7
106.07364	0.9
107.04958	4.2
107.08592	16.9
108.08157	0.4
109.06534	4.1
109.10121	0.9
111.08071	1.2
115.10724	0.4
117.07001	1.9
118.06539	1.1
119.04940	16.9
119.08592	3.5
120.08109	2.3
121.06501	8.9
121.10148	8.2
123.04430	13.6
123.05312	0.8
123.08048	0.9
127.07526	1.3
130.06511	0.7
130.07684	0.9
131.08553	2.0
133.06491	0.9
133.10120	0.4
134.06055	0.5
135.08066	3.4
135.11694	4.1
136.07573	100.0
137.07965	2.4
139.07558	0.4
139.11150	0.4
144.04504	0.4
145.10123	14.4
146.05933	0.4
146.11844	1.1
147.03355	0.6
147.04424	6.1
147.08011	0.7
147.11668	2.6
149.09616	12.5
151.07503	0.5
157.06541	0.4
159.08118	0.8
161.09567	0.4
162.02168	0.8
162.05551	2.3
163.11179	21.4
164.11491	0.6
164.82141	0.4
165.05473	22.1
165.12686	0.5
166.05771	0.6
167.10658	4.0
169.04277	0.3
169.08684	0.4
173.09573	2.7
181.12181	2.0
182.08131	24.3
183.08569	0.5
185.11832	0.4
189.96599	0.4
191.08908	0.7
191.10669	13.7
208.13362	1.4
209.11758	1.3
216.10155	1.2
218.11751	0.8
220.13132	0.6
226.14331	3.1
227.12756	1.2
235.10863	1.1
238.14442	0.7
246.11327	0.5
262.11047	0.5
264.12262	1.3
286.14352	4.2
298.18066	0.6
326.17487	10.1
327.17728	0.8
332.14792	0.6
344.18558	35.2
345.18918	2.2
350.12991	0.4
362.19614	8.5
363.19955	0.7
372.18021	2.5
390.19098	7.6
408.20123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54187	0.5
55.01863	8.0
55.05500	3.4
56.05008	0.9
57.03422	1.2
57.07062	0.6
65.03912	0.7
66.95277	0.5
67.05506	5.1
69.03409	2.6
69.07061	7.5
70.06576	3.2
71.04970	1.9
71.61005	0.9
72.08144	1.8
79.05487	5.8
81.03393	1.3
81.07047	7.3
83.04950	2.2
83.08603	1.9
84.04517	0.8
84.08135	1.3
85.02884	1.6
85.06534	3.7
86.09702	3.1
91.05460	7.9
93.07034	12.1
95.04958	3.5
95.08595	8.8
97.02865	1.4
97.06512	7.2
97.10155	0.6
98.97567	0.8
99.04450	2.9
105.07020	7.3
107.04919	1.3
107.07860	0.9
107.08582	18.8
109.02923	0.6
109.06493	6.6
109.10128	1.6
109.16257	0.5
111.08075	2.6
113.05994	2.6
116.01669	1.7
117.06999	1.1
118.06564	0.7
119.04923	4.4
119.08570	3.5
120.08093	3.5
120.08805	0.6
121.02856	0.8
121.06516	4.5
121.10126	7.9
121.76569	0.6
123.04430	3.9
123.08047	4.3
125.05968	1.0
127.03855	0.8
129.10281	0.6
131.04929	0.7
131.08531	1.4
133.06419	0.8
135.08022	1.2
135.11681	3.9
136.07565	28.1
137.09592	1.4
138.09976	1.1
139.11128	1.2
143.08485	0.7
145.10091	7.4
147.04404	2.0
147.11697	2.7
149.09564	4.1
151.07538	5.1
159.08363	0.8
159.11642	0.7
162.02182	2.9
163.11151	14.2
165.05458	6.4
166.09448	0.8
167.10651	8.2
169.08586	49.3
170.08922	0.8
173.09610	1.4
177.92403	0.7
181.12192	8.5
182.08144	7.7
185.11700	3.6
191.10641	5.6
197.07187	0.5
209.11710	3.1
227.12781	31.4
228.13197	1.1
247.13011	2.9
262.11050	1.7
305.90457	0.6
326.17453	3.4
344.18637	3.6
348.18088	0.7
362.19620	3.7
372.18112	2.8
390.19232	3.6
408.20209	1.3
409.18286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01614	1.4
55.01864	15.4
55.05505	5.4
56.05028	1.5
57.03417	1.5
58.99574	1.7
60.04519	1.0
65.03922	0.9
67.05492	6.9
69.03433	4.5
69.07062	18.6
70.06590	6.3
71.04990	1.0
71.48163	0.8
71.59293	1.0
72.08134	3.4
72.49792	0.8
76.02201	1.2
79.05484	9.9
80.45788	0.7
81.03384	1.7
81.07047	12.3
83.04964	2.3
83.08607	3.7
84.04493	16.7
84.08132	4.1
85.02907	1.8
85.06532	5.6
86.09696	40.3
86.99043	1.4
91.05475	10.4
93.06461	1.4
93.07033	20.3
95.04948	3.8
95.08594	16.2
96.04513	0.8
97.02895	1.6
97.06528	13.2
99.04437	4.2
102.05524	6.9
103.05425	2.1
105.07016	10.8
106.24288	0.8
107.04922	3.2
107.08578	31.0
109.06505	10.4
109.10127	1.0
110.07135	3.1
111.04434	1.0
111.08065	4.0
112.04011	0.8
113.05968	4.3
115.07576	1.0
116.01658	5.1
116.07092	1.2
117.07021	2.1
119.04949	4.2
119.08537	3.9
120.08093	29.3
121.06489	6.6
121.10135	11.0
123.04407	4.6
123.08044	10.1
125.05961	0.9
127.03848	1.0
129.06544	5.9
129.10226	2.5
130.07768	1.2
131.04883	0.9
131.08551	1.6
132.10172	1.7
133.06462	1.1
135.08089	1.1
135.11676	6.6
136.07564	33.5
137.06049	0.8
137.09634	0.9
137.13304	1.0
139.11200	1.9
144.01195	2.4
145.10120	9.3
147.04376	2.2
147.11647	1.8
149.09583	6.8
151.07527	8.2
152.10725	1.6
153.12662	1.4
156.07695	1.1
159.08336	1.7
160.03920	1.4
162.02170	7.1
163.11172	21.1
165.05492	6.2
166.08620	17.2
166.09929	1.3
167.10646	10.9
169.08586	100.0
170.08961	2.4
170.11722	2.7
173.09578	1.8
177.60686	0.8
181.12212	13.5
182.08130	11.6
185.11674	5.8
191.10663	6.7
197.12860	8.8
204.15103	0.9
209.11731	6.5
212.13641	0.9
215.13892	21.7
225.12320	1.6
227.12750	47.9
228.13274	1.9
231.11346	1.3
243.13359	3.1
249.12192	1.1
262.11133	3.2
267.15854	0.9
315.97876	1.0
326.17645	3.8
344.18448	3.2
362.19601	6.0
372.17856	2.5
390.13849	1.4
390.18915	4.1
408.20261	2.7
409.18640	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	408.2016
Annotation	Ligularidine
Peak:m/z	Relative Intensity
51.02370	0.6
53.03925	0.9
55.01863	16.7
55.05501	3.0
56.96545	0.8
57.03427	1.0
57.07060	1.2
58.65761	0.4
58.99563	0.4
65.03941	0.8
67.05495	6.1
69.03423	3.7
69.07059	15.2
70.06563	1.3
70.90117	0.8
71.04983	2.3
72.08123	1.2
75.57991	0.4
79.05059	0.7
79.05485	8.7
81.03409	2.2
81.07048	10.5
83.04974	2.0
83.08595	1.5
84.04497	0.5
84.08118	1.0
85.02895	0.6
85.06532	7.5
86.09708	1.8
91.05462	10.6
93.07032	20.4
94.07361	0.4
95.04964	4.2
95.08596	16.1
97.06518	12.8
99.04437	3.7
101.05987	0.5
103.05487	0.6
105.07016	12.5
106.07317	0.7
107.04953	2.1
107.08582	34.7
108.08919	0.8
109.02838	0.5
109.06515	10.0
109.10123	2.0
111.08068	3.6
111.11714	1.0
113.05984	4.3
115.03822	0.5
116.01640	0.8
116.98564	0.7
117.06998	2.0
119.04936	5.5
119.08585	4.0
120.08088	1.4
121.06486	7.4
121.10127	11.7
123.04416	3.6
123.08049	9.4
125.05962	1.3
125.09612	0.5
127.07560	0.5
129.07036	0.6
130.06496	0.7
130.07759	1.0
130.08647	0.4
131.08551	1.4
133.06451	1.5
133.10039	0.5
135.08067	2.2
135.11681	6.1
136.07561	34.2
137.06024	0.5
137.09607	1.3
139.07513	0.8
139.11151	2.9
140.10643	0.5
143.06969	0.4
143.08609	0.5
145.10103	10.5
147.04391	1.8
147.11647	1.6
148.07523	0.4
149.05974	0.4
149.09584	7.4
151.07529	9.2
153.12703	1.0
155.08510	0.5
157.08560	0.8
159.08278	0.8
159.11679	0.5
162.02193	1.2
162.05466	0.6
163.11163	21.6
164.11517	0.8
165.05457	7.1
165.09096	0.6
165.12721	1.2
166.08611	0.5
167.10655	15.0
167.12083	0.7
169.08578	100.0
170.09074	1.9
170.10294	0.4
173.09601	2.2
181.12212	14.6
182.06612	0.3
182.08098	10.8
185.11700	7.7
191.10651	8.2
209.11690	7.9
227.12750	53.8
228.13103	1.3
235.14264	0.4
245.13939	0.7
262.11090	0.7
279.13766	0.6
300.19650	0.5
302.17371	0.5
326.17587	3.3
327.17725	0.5
344.18552	4.4
348.17947	1.1
362.19598	6.8
372.17932	2.0
385.68869	0.4
390.14413	0.6
390.18900	4.8
390.22946	0.5
408.19604	3.3
408.27646	0.5
409.14636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55058	0.9
54.16083	0.7
55.05508	27.7
58.99578	12.7
60.10164	0.7
61.01148	1.6
70.75323	2.0
73.01138	1.3
76.02222	5.1
76.03997	3.9
81.07038	0.8
83.06087	2.7
83.08612	38.2
84.04035	1.4
84.04504	20.1
85.01112	0.9
86.99046	11.9
88.02191	2.4
99.05575	2.0
99.87489	0.8
101.09650	2.9
107.08550	1.5
111.56805	0.9
115.05796	0.9
116.01670	49.1
129.06516	4.5
129.07402	1.7
130.04984	4.8
141.07281	0.9
142.03224	2.4
144.01137	26.7
145.06078	1.6
145.68668	0.7
154.34511	0.8
159.08383	30.2
162.02196	100.0
163.02545	1.3
170.02739	0.9
173.84738	0.8
176.11063	2.1
186.32535	0.9
205.09047	1.3
244.09993	1.4
262.11069	51.5
279.10956	1.5
279.13724	16.4
333.14752	17.4
390.16898	1.7
408.17944	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	408.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.8
55.93516	5.4
56.96559	5.0
57.03423	3.3
57.23207	2.6
61.02913	3.3
67.05508	11.9
69.03402	4.9
69.07052	5.2
69.49123	11.0
69.49548	10.6
69.73991	2.5
70.56947	2.2
70.95863	6.1
72.60775	2.4
72.93785	15.3
73.02908	2.6
79.05473	8.7
81.03403	5.5
81.07050	9.2
82.07402	3.2
83.08594	3.2
85.02908	5.8
86.09640	2.9
88.96882	3.8
90.94806	12.2
91.03943	3.5
91.05468	11.3
93.07040	6.1
95.04946	4.2
95.08598	8.1
97.02802	2.5
105.07027	7.0
107.08579	2.8
108.95842	5.2
113.96354	2.5
115.72735	2.4
117.06995	4.2
118.98077	3.1
119.08565	4.5
121.10132	3.7
128.69235	2.5
131.08513	4.1
138.98402	2.9
142.97910	4.3
143.08466	3.2
144.99492	3.4
146.97379	3.3
147.22110	2.7
148.98895	3.6
150.96912	3.0
157.10062	2.5
162.96837	3.3
164.99913	4.0
166.97847	2.5
178.98000	3.1
184.98863	3.4
199.00470	4.1
207.01076	2.5
211.13246	3.8
229.07419	2.9
243.09097	3.9
281.09906	3.4
283.11325	3.5
347.12885	6.7
349.14539	71.2
349.18787	3.5
367.10989	5.5
367.15604	100.0
385.16849	15.1
388.16479	3.4
390.17276	15.9
408.18201	11.4
408.23404	3.4
409.17557	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	408.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73016	0.5
53.03918	0.8
55.05507	29.7
56.05041	1.2
58.99577	14.7
61.01138	1.4
62.72107	0.6
70.75457	1.6
71.82075	0.5
72.18613	0.6
73.01125	1.7
76.01886	0.5
76.02228	6.2
76.03991	2.9
78.86485	0.5
79.05476	0.6
81.07027	1.3
83.06081	1.1
83.08611	40.4
84.04498	20.7
84.04916	0.3
84.05013	0.6
85.01114	0.6
86.99043	12.6
88.02194	3.4
99.02644	0.6
99.05556	2.0
101.09648	2.4
103.02146	0.6
105.00053	1.2
107.08569	1.3
113.88306	0.5
115.05759	1.4
116.01666	59.1
116.94704	0.6
121.58555	0.5
129.06500	3.1
129.07353	2.2
130.04987	4.3
134.59834	0.5
141.07327	1.3
142.03218	5.1
144.01125	28.2
145.01505	0.6
145.06064	2.0
159.07024	1.2
159.08379	39.5
162.02188	100.0
170.02731	0.8
176.11052	4.5
187.07896	1.4
205.08855	0.9
244.10005	1.4
245.05902	1.1
262.11063	44.4
279.13708	16.3
286.53671	0.5
312.79340	0.5
315.13663	0.9
333.14758	9.5
408.18051	2.0
419.14029	0.6
427.80524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
57.03428	4.8
57.07073	6.7
57.98956	0.3
60.52956	0.3
67.05501	2.8
69.07062	1.9
71.08625	5.2
71.44978	0.4
71.45306	0.3
79.05492	0.5
81.07056	3.5
83.08621	1.7
85.10171	2.5
94.98965	0.3
95.08601	3.8
97.10165	0.9
105.07056	0.4
109.10173	2.0
109.97713	0.3
113.00008	100.0
119.08588	0.4
123.11693	0.8
126.03201	0.3
131.01021	1.7
139.01544	0.8
151.01497	0.5
154.02623	0.9
162.38922	0.3
169.02599	97.7
170.02966	0.7
234.52151	0.3
239.23569	0.5
254.55679	0.3
261.18420	0.4
375.19138	0.3
411.22296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.9
56.05029	3.3
56.96560	1.8
57.03439	2.3
60.04513	2.7
61.02915	2.1
63.21641	1.3
69.03422	7.4
69.07069	1.8
70.06588	21.1
71.04980	3.0
71.06905	1.4
71.59054	2.2
72.08145	7.8
73.02882	2.9
74.06068	4.2
75.74834	1.5
81.03401	6.1
81.55083	1.3
82.06548	1.9
83.04964	1.6
83.06064	2.1
84.04489	7.5
84.08135	14.6
85.02896	13.8
86.06048	1.7
86.09688	7.3
87.05554	2.0
91.05476	3.4
95.01328	1.3
95.04930	1.4
97.02889	5.8
98.06020	1.7
99.04426	1.9
102.05527	2.4
103.03905	1.8
105.07007	1.6
107.08539	1.3
109.02875	6.6
110.07158	3.8
112.08688	2.0
115.05456	17.2
116.07081	2.0
119.04945	4.2
120.08103	6.0
127.03923	7.6
129.10228	5.7
130.06522	4.8
132.08076	3.7
136.07558	2.4
137.05952	2.2
142.06511	100.0
143.07339	9.7
144.08078	8.0
147.04353	7.3
150.96907	2.1
158.06038	4.1
160.07568	89.6
161.07918	3.5
166.08661	1.7
183.09076	1.5
188.06953	1.5
202.08514	1.9
210.05812	1.4
228.06880	2.7
245.09300	1.4
246.07799	1.5
252.98045	2.3
264.11603	1.3
277.70035	1.5
291.36182	1.4
322.12833	4.6
364.13867	36.9
365.14035	1.9
408.12878	43.3
409.11917	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	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04808	1.0
55.01870	1.1
55.05505	3.4
56.96558	7.2
57.07055	1.1
61.02923	2.1
67.05502	6.8
69.03422	2.9
69.07044	4.4
70.06590	1.4
71.60229	2.3
73.02914	2.5
79.05482	4.9
81.03381	2.7
81.07054	7.4
83.04972	1.6
83.08599	2.5
84.08138	1.1
85.02879	3.9
85.06499	1.2
91.03935	1.8
91.05466	6.4
93.07033	6.1
95.04945	3.9
95.08588	5.9
97.02880	1.8
97.06526	2.5
97.10146	1.5
99.66387	1.2
105.07022	5.2
107.08580	3.3
109.06494	1.1
109.10154	3.6
111.53455	1.1
111.87130	1.0
115.05445	1.2
116.98566	1.2
117.06995	1.8
119.08593	3.8
121.06463	1.3
121.10123	3.3
123.08024	1.5
125.09580	1.5
127.03915	1.4
131.08521	2.2
133.10149	2.1
135.07944	1.1
143.08569	1.6
145.10092	2.0
147.11662	2.6
157.10057	2.4
159.11639	2.4
161.13332	1.2
163.11250	2.2
171.11649	1.5
185.04759	1.5
189.04353	1.5
199.06343	1.5
203.05861	1.9
217.07474	3.6
229.07372	1.6
241.07475	2.8
243.08946	1.1
247.08530	2.5
259.08542	5.0
267.09012	1.3
271.08524	1.3
285.10074	3.2
287.05701	1.1
299.11612	1.4
315.19373	1.4
322.11832	2.3
331.15845	2.2
333.20111	1.1
349.16681	6.1
367.17969	8.5
385.18967	5.4
389.22748	1.3
407.24014	100.0
408.24591	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	407.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.4
56.96569	3.9
57.03429	1.8
57.07061	1.3
61.02912	2.3
67.05504	3.2
69.03418	1.9
69.07048	2.0
69.32243	0.7
70.06591	4.1
71.06912	1.0
71.08612	1.1
72.08112	0.9
73.02898	1.3
79.05480	3.7
79.95052	0.6
81.03408	2.2
81.07053	5.2
83.04973	1.4
83.08620	1.3
85.02886	2.9
85.06520	0.8
86.09724	0.9
87.84767	0.7
88.07637	0.8
91.03948	1.7
91.05464	3.5
93.07020	2.8
95.04953	1.8
95.08605	1.9
97.02875	2.9
97.06514	1.6
98.97614	0.9
101.02346	1.1
105.07014	2.3
106.07327	0.8
106.75768	0.6
107.04947	1.2
107.08593	2.4
109.06473	1.5
109.10119	1.3
116.98716	0.8
117.07069	1.0
119.08574	2.7
121.10136	1.9
128.98534	0.8
131.08557	1.5
132.10226	1.1
133.10104	1.1
145.10062	0.9
146.11769	0.9
157.10074	1.1
159.11707	1.2
163.11229	0.9
167.08612	0.7
184.07269	1.0
193.12265	0.9
211.06459	0.9
219.06416	1.2
229.07480	0.9
237.07913	0.8
243.08943	1.2
255.09016	1.3
259.08594	1.6
259.11911	0.8
267.09070	2.1
267.15927	0.9
269.10410	1.0
271.14011	1.4
273.10016	0.9
283.08557	1.0
285.09964	4.8
287.11816	1.2
295.15109	1.2
301.29248	5.6
309.16830	1.5
325.16000	1.1
345.31882	2.8
347.15283	1.0
349.16675	1.3
365.16049	1.0
367.17822	1.2
406.35519	1.1
407.24014	100.0
407.35526	20.5
408.24536	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	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06620	1.1
53.31114	1.2
54.18177	1.0
54.74587	1.1
55.01871	3.9
55.05509	4.0
56.05041	7.3
56.96557	1.2
57.03436	8.5
57.07078	1.9
58.06575	1.0
58.99583	14.1
60.04525	1.8
65.03944	1.1
67.05514	6.9
68.05038	2.7
69.03429	3.8
69.07066	6.3
69.79983	7.3
70.06590	21.1
71.04988	4.1
71.06939	1.4
72.08156	6.1
74.06086	1.7
76.02226	21.9
76.03988	2.4
79.05491	9.9
80.05042	2.4
81.03410	7.8
81.07053	22.9
83.04974	3.5
83.06104	2.5
83.08603	1.8
84.04498	31.6
84.08132	14.3
85.01153	2.7
85.02908	9.6
85.06537	30.2
86.00662	3.6
86.06062	3.3
86.09704	27.4
86.99049	8.0
87.02685	4.8
87.04463	1.9
87.05565	1.3
88.02205	2.3
88.04003	1.8
91.05477	6.9
93.07044	6.5
94.06525	1.1
95.04967	4.0
95.08594	6.2
96.08138	2.8
97.01135	1.3
97.02854	1.9
97.05958	1.8
97.06548	3.4
98.06046	1.6
98.09680	10.1
99.04480	1.1
99.08091	6.3
102.05537	5.0
104.07091	6.0
105.07027	8.4
106.44674	1.2
107.04965	3.5
107.08610	7.4
108.08143	1.1
109.06483	2.5
110.07150	2.2
110.09676	2.7
111.04458	3.3
112.03967	4.3
112.07604	1.2
113.04232	5.3
113.07124	1.5
115.05806	1.3
116.01677	24.0
116.07099	2.0
116.98672	1.8
119.04946	1.2
119.08613	5.9
120.08114	4.1
121.06525	2.7
121.10157	6.8
122.02701	2.6
122.09653	1.9
124.03956	3.0
125.06009	1.9
127.03912	2.1
127.05852	1.5
129.06593	2.6
129.10242	8.3
130.04997	9.3
130.06885	5.0
130.08672	1.6
131.08560	19.2
132.10182	1.3
136.07596	6.5
137.05937	1.5
137.09595	2.0
139.05771	2.1
142.03214	2.6
144.01160	8.9
145.06065	1.8
145.10077	6.0
147.08011	2.4
149.05969	1.4
149.09616	16.3
153.06583	1.6
156.08426	20.6
156.10216	10.1
157.06787	9.2
158.09244	1.6
161.09514	1.7
162.02191	26.0
163.11186	4.8
165.09096	3.3
167.10660	8.9
173.09647	1.7
174.09467	14.1
175.11972	1.5
177.05482	6.6
179.04832	13.1
191.10648	16.8
193.12209	6.9
209.11731	27.0
210.11229	2.4
211.13208	1.5
214.11948	1.2
216.06955	5.3
219.01917	1.2
227.10504	2.3
227.12755	42.6
233.05971	3.1
245.06117	1.6
247.10814	1.5
252.19615	2.3
259.11111	100.0
260.09387	2.6
267.15875	4.7
313.12119	6.3
331.13171	6.4
333.18665	3.7
370.22003	1.7
370.26205	1.9
388.23059	7.3
406.15875	1.9
406.20291	2.4
407.09387	1.7
427.12567	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	406.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.1
56.96294	2.6
56.96562	36.1
57.07044	1.7
58.65522	1.5
61.10145	1.5
67.05491	6.9
69.03437	3.0
69.07039	3.9
70.06580	4.3
70.24714	6.9
71.08615	5.2
71.95235	2.3
72.08140	1.6
72.96037	1.5
73.02909	1.5
79.05491	3.2
81.03425	2.5
81.07066	13.4
83.08605	3.1
84.08138	2.2
85.02908	3.8
91.05476	6.1
93.07030	5.1
95.04967	3.6
95.08605	6.4
97.02917	1.6
97.06505	5.0
98.09666	1.9
98.97562	2.3
99.08104	1.9
105.07048	7.7
105.69666	1.4
107.04935	1.8
107.08583	3.6
109.06556	2.1
109.10136	3.2
109.78990	1.7
115.00694	2.0
119.08563	3.2
121.10119	2.5
123.11678	2.4
124.07568	2.3
127.03886	1.5
128.98575	3.0
133.10115	3.7
134.99693	1.9
142.12273	5.6
146.99637	4.5
147.03244	2.5
147.08084	1.5
147.11696	2.1
152.10657	1.9
155.03835	1.7
157.10188	2.5
166.08615	2.3
169.01768	2.1
171.03229	3.5
179.03763	1.7
181.05428	2.5
185.04932	3.2
187.02856	1.8
187.57597	1.9
189.04381	6.0
193.12137	2.3
195.06894	2.6
196.16997	2.9
197.04860	4.2
199.06435	12.9
201.04370	3.0
203.05914	6.2
213.07961	5.8
215.05814	2.9
217.05469	1.8
217.07475	22.5
223.06473	3.7
227.05956	2.4
229.07414	7.7
231.08963	7.9
241.07460	25.4
243.08989	2.2
245.06979	3.1
247.08528	4.8
251.09482	1.9
253.07510	6.9
254.17538	7.1
255.09044	6.5
259.08539	41.3
259.11136	3.1
267.09097	4.4
269.10611	1.9
271.08524	6.8
273.10077	5.1
277.09665	9.1
282.10153	3.8
285.10104	4.5
287.11832	1.8
308.22299	3.3
324.34000	1.6
329.14206	9.1
347.15289	58.8
348.15759	2.7
365.16357	76.7
366.16724	3.2
383.17422	49.0
388.17795	7.5
388.28391	7.6
401.18439	4.5
406.18399	10.2
406.29526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.1
56.96294	2.6
56.96562	36.1
57.07044	1.7
58.65522	1.5
61.10145	1.5
67.05491	6.9
69.03437	3.0
69.07039	3.9
70.06580	4.3
70.24714	6.9
71.08615	5.2
71.95235	2.3
72.08140	1.6
72.96037	1.5
73.02909	1.5
79.05491	3.2
81.03425	2.5
81.07066	13.4
83.08605	3.1
84.08138	2.2
85.02908	3.8
91.05476	6.1
93.07030	5.1
95.04967	3.6
95.08605	6.4
97.02917	1.6
97.06505	5.0
98.09666	1.9
98.97562	2.3
99.08104	1.9
105.07048	7.7
105.69666	1.4
107.04935	1.8
107.08583	3.6
109.06556	2.1
109.10136	3.2
109.78990	1.7
115.00694	2.0
119.08563	3.2
121.10119	2.5
123.11678	2.4
124.07568	2.3
127.03886	1.5
128.98575	3.0
133.10115	3.7
134.99693	1.9
142.12273	5.6
146.99637	4.5
147.03244	2.5
147.08084	1.5
147.11696	2.1
152.10657	1.9
155.03835	1.7
157.10188	2.5
166.08615	2.3
169.01768	2.1
171.03229	3.5
179.03763	1.7
181.05428	2.5
185.04932	3.2
187.02856	1.8
187.57597	1.9
189.04381	6.0
193.12137	2.3
195.06894	2.6
196.16997	2.9
197.04860	4.2
199.06435	12.9
201.04370	3.0
203.05914	6.2
213.07961	5.8
215.05814	2.9
217.05469	1.8
217.07475	22.5
223.06473	3.7
227.05956	2.4
229.07414	7.7
231.08963	7.9
241.07460	25.4
243.08989	2.2
245.06979	3.1
247.08528	4.8
251.09482	1.9
253.07510	6.9
254.17538	7.1
255.09044	6.5
259.08539	41.3
259.11136	3.1
267.09097	4.4
269.10611	1.9
271.08524	6.8
273.10077	5.1
277.09665	9.1
282.10153	3.8
285.10104	4.5
287.11832	1.8
308.22299	3.3
324.34000	1.6
329.14206	9.1
347.15289	58.8
348.15759	2.7
365.16357	76.7
366.16724	3.2
383.17422	49.0
388.17795	7.5
388.28391	7.6
401.18439	4.5
406.18399	10.2
406.29526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	4.1
55.05504	7.7
55.93507	5.9
56.94299	2.4
56.96554	14.5
57.03415	5.5
57.07067	3.9
61.02916	11.7
67.05492	12.8
69.03429	4.6
69.07065	13.2
70.06579	8.0
70.95851	4.6
71.04990	3.5
71.60518	3.7
72.93784	12.3
73.02901	6.1
79.05505	11.6
81.03394	8.4
81.07050	18.3
83.04980	4.0
83.08605	3.2
85.02892	10.5
86.09704	3.1
88.07637	2.4
90.94811	9.3
91.03954	3.5
91.05468	16.1
92.05788	1.9
93.07038	15.3
95.04959	5.1
95.08593	6.7
97.02886	7.7
97.06515	2.8
97.10139	2.9
98.97575	3.1
99.04400	2.7
105.06989	10.4
107.04928	3.6
107.08591	6.9
108.95846	6.1
109.02859	2.9
109.10122	4.6
111.04491	2.6
116.98585	2.9
117.07005	4.3
119.08554	7.3
121.10120	2.6
123.78126	2.0
126.02750	2.1
126.98461	3.2
127.03977	2.1
128.98618	1.9
131.08553	3.7
132.10181	2.7
133.10091	3.1
133.18132	2.3
140.98465	2.2
142.97884	2.2
144.99483	2.9
145.10060	3.4
146.11714	3.1
146.97406	2.3
146.99722	2.5
147.11717	3.7
149.01135	2.0
149.09642	2.5
154.97876	2.5
162.96967	2.5
166.97847	3.6
171.03268	2.3
178.97926	2.6
184.98820	2.9
186.01155	2.0
189.03960	2.0
192.99469	2.5
193.12137	2.2
196.99106	2.5
199.06453	4.9
201.03795	2.9
203.06137	2.5
207.01161	2.6
217.07466	6.1
229.07314	3.1
234.97156	2.2
239.05774	4.8
243.09093	4.0
247.08429	2.7
255.09021	5.9
256.26297	3.4
257.06964	9.9
259.08765	3.1
261.09988	2.7
265.07513	2.4
267.09045	4.7
269.10220	3.2
273.10144	3.0
275.07999	3.2
283.06207	5.9
283.08774	3.5
283.15454	2.4
285.10107	8.3
287.11682	3.3
295.07779	2.7
300.29034	11.7
301.09644	3.5
344.31726	4.8
347.12970	100.0
348.13205	5.1
349.16879	5.1
365.14044	49.9
367.17944	10.2
383.15073	2.6
388.15549	9.3
406.17258	5.0
406.22720	11.2
406.35208	38.3
407.23828	7.6
432.69153	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	406.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
55.05502	2.0
56.05033	6.0
57.03432	4.1
57.07067	1.1
58.99580	11.8
61.01138	0.6
67.05475	1.5
68.05014	1.9
68.13053	0.8
69.03417	1.0
69.07050	2.3
69.45285	6.0
70.06580	2.2
72.08136	1.9
73.01134	1.0
74.00652	0.8
74.02419	0.7
76.02225	22.0
76.03988	1.4
79.05484	4.4
80.04980	1.1
81.07050	19.0
83.04980	0.7
83.06078	1.3
84.04500	24.9
84.08118	1.7
85.01095	3.3
85.02869	1.4
85.06504	1.9
86.00642	3.8
86.06035	0.8
86.09692	1.9
86.99037	7.4
87.02692	6.6
88.02193	2.9
88.07604	0.8
91.05474	1.0
93.07034	2.2
95.04961	0.9
95.08588	4.7
96.08105	0.7
97.01099	0.9
97.06520	1.7
98.09687	11.3
98.10297	0.6
98.20708	0.9
99.05553	1.0
99.08077	4.9
102.05531	6.0
104.07084	3.6
105.07022	1.6
107.08553	1.1
110.09657	2.1
111.08033	0.7
112.03960	3.7
113.04227	5.5
114.03766	0.9
114.05492	0.8
115.05781	0.9
116.01669	22.1
121.10136	1.5
122.09628	1.4
123.08032	1.6
127.05722	1.7
129.06555	3.6
130.05006	7.8
130.06889	4.7
130.08630	2.1
131.08514	1.2
136.07481	0.7
139.05711	1.7
142.03207	1.6
143.02711	0.8
143.07053	1.0
144.01138	7.4
145.06032	0.8
145.10114	1.3
149.09610	1.4
153.06535	1.0
156.08405	19.5
156.10182	9.0
157.06833	9.0
158.46425	0.8
162.02188	23.3
170.02704	1.2
174.09462	13.8
179.04832	13.0
187.05380	1.2
188.98396	1.0
189.03276	1.4
191.10645	1.3
193.01575	1.3
209.11775	1.7
210.11253	3.9
216.06873	6.3
219.03067	1.1
227.12746	1.7
233.05977	1.7
242.08444	1.7
245.06000	0.8
249.04184	0.8
259.11096	100.0
260.11453	2.5
277.12085	1.2
285.12701	1.3
301.03644	2.7
313.12161	3.6
319.04593	1.2
331.13235	5.8
352.24625	1.5
370.25815	1.5
388.15271	1.8
388.27231	1.0
406.16858	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	406.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.4
55.01896	0.5
55.05509	0.7
56.05043	0.2
56.96576	0.2
57.03452	0.3
58.06606	0.2
59.04988	0.2
60.04543	0.3
65.03931	2.6
67.05497	0.7
68.05053	0.5
69.03416	1.4
69.07074	0.4
70.01196	0.7
70.06585	1.9
71.01353	0.3
71.05013	0.4
72.08170	0.4
74.06072	0.2
78.03447	1.8
78.03860	0.2
79.05519	0.5
80.05034	0.5
81.03409	2.5
81.03831	0.2
81.07035	0.8
83.04981	0.9
84.04499	0.3
84.08139	0.8
85.02902	1.5
86.02444	0.2
86.04887	0.1
86.06059	3.7
86.09715	0.5
88.07630	0.1
91.05474	1.0
93.07060	0.5
95.04961	2.4
95.08600	0.4
96.04462	1.2
96.08104	0.3
97.02889	0.9
97.06495	0.2
98.09692	0.6
99.04465	0.5
101.06033	0.4
102.05541	0.2
104.07098	5.9
105.07050	0.6
106.02903	8.7
107.04976	0.2
107.08593	0.4
109.02867	2.5
109.10143	0.3
110.07175	0.2
111.04432	3.6
112.07590	0.2
116.10716	1.3
117.07034	0.4
119.04932	0.6
119.08573	0.4
120.08096	0.3
121.02857	100.0
121.10077	0.3
122.03236	1.1
123.04395	0.2
123.08086	0.2
124.03941	24.0
125.06033	0.2
127.03894	1.3
129.05452	0.4
129.10271	0.2
130.04991	0.6
131.08560	0.3
133.10179	0.4
133.36040	0.1
135.08046	0.2
136.07556	0.7
137.09595	0.3
139.03886	2.2
142.08632	0.4
145.06424	0.2
145.10083	0.3
147.04399	1.5
147.06575	0.1
147.11566	0.2
147.24504	0.1
149.13187	0.2
161.09554	0.3
163.03818	0.3
163.11143	0.3
164.10625	0.2
165.09088	0.2
166.04945	0.5
171.04315	0.5
171.11597	0.2
173.05986	0.2
176.83241	0.1
179.10629	0.1
182.08060	0.2
186.06686	0.2
187.07455	0.2
188.03433	0.2
215.07018	0.2
226.14401	0.8
227.08070	0.2
228.15915	0.2
232.05690	0.2
237.10127	0.2
241.09607	0.2
244.09486	0.4
250.04768	0.2
250.07098	3.3
251.07968	0.2
259.10904	0.4
265.06921	0.2
265.09521	0.2
268.08145	8.8
269.08804	0.5
270.13202	0.2
275.98203	0.2
285.15768	0.1
293.08850	0.2
297.08417	0.5
310.48257	0.2
311.10129	0.2
315.09488	0.3
334.23645	0.3
339.09494	0.2
352.24811	1.7
370.09225	2.3
370.18207	0.3
370.25867	2.1
388.10245	4.7
388.19284	0.8
388.26468	0.7
389.12830	0.6
406.11166	2.7
406.20621	1.5
406.25983	0.2
406.27588	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	405.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.9
55.05499	2.7
55.93518	1.3
56.96569	4.6
61.02922	1.4
61.03307	0.7
67.05491	3.6
69.03416	1.4
69.07050	3.2
69.96028	4.8
72.93781	3.2
79.05486	3.0
81.03403	3.4
81.07049	5.0
83.04986	1.1
83.08628	1.1
85.02908	1.9
88.89469	0.8
88.96840	0.8
90.94815	2.0
91.05474	3.7
93.07037	2.8
95.04971	2.2
95.08601	3.0
97.02863	1.4
97.06472	1.0
98.97589	6.7
105.07026	2.7
107.04951	1.3
107.08594	1.6
108.95852	0.9
109.10182	1.3
111.88602	0.8
116.98624	6.4
117.07053	1.6
119.08577	2.6
121.10126	1.5
126.98422	0.9
128.96277	1.1
129.07022	1.2
133.10118	1.4
134.99660	8.1
135.11656	1.2
137.05968	3.8
138.06281	1.7
138.98373	1.4
143.08583	0.8
145.10133	1.5
147.11665	1.3
153.00699	1.5
156.99406	0.8
157.10159	1.6
163.11256	1.0
166.97899	1.0
184.98889	1.2
199.14807	0.9
209.95119	0.8
226.11177	1.0
227.11523	1.2
235.02843	2.4
236.03120	2.5
253.03619	6.1
254.04193	6.5
255.06705	1.3
266.07123	1.1
267.06790	2.8
271.06360	2.2
276.05331	0.9
277.05603	1.6
279.66660	1.0
281.04660	1.2
283.06287	2.5
285.07819	3.5
289.51315	0.9
299.05750	2.9
300.84003	0.9
329.11945	1.3
330.08313	1.0
346.13205	1.0
347.12946	7.9
349.17438	1.2
365.13995	3.0
373.10019	2.8
405.17834	8.1
405.22433	100.0
406.17917	1.4
406.22754	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	405.2633
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
52.43872	1.9
53.03934	5.2
55.01875	15.6
55.05508	34.1
56.96553	2.5
57.03427	7.6
57.07061	7.2
59.04985	2.6
61.02900	3.1
62.30688	1.8
65.03923	4.7
67.05502	72.9
69.03426	26.4
69.07063	32.2
69.51373	2.0
71.01353	4.4
71.04994	18.0
71.60871	3.3
73.02912	3.8
79.05487	57.5
81.03412	24.7
81.06568	4.0
81.07053	76.5
83.04975	17.5
83.08611	15.3
85.02900	14.2
85.06517	3.3
86.09702	9.0
87.04449	3.1
91.05476	72.9
93.07036	72.8
95.04970	19.4
95.08597	61.2
97.02876	11.8
97.06518	10.4
97.10159	9.5
99.04456	5.7
99.08118	3.6
103.03954	2.9
103.05466	2.7
105.07024	65.7
107.04923	9.5
107.08585	45.6
109.02862	5.8
109.06496	11.6
109.10155	20.3
111.04414	13.5
111.08079	4.6
113.00031	2.2
115.05493	5.8
117.05496	1.8
117.07015	38.6
119.04898	2.2
119.08572	57.2
120.08911	3.2
121.06493	8.8
121.10146	31.0
123.04427	2.7
123.08076	8.5
123.11707	9.2
125.00014	3.8
125.06004	2.6
125.09654	5.5
127.02328	2.6
127.03892	8.0
128.06215	9.3
129.05449	4.1
129.06989	23.5
130.07774	2.9
131.04944	5.6
131.08566	48.0
133.06477	11.4
133.10120	41.0
135.08046	10.2
135.11684	18.3
137.05995	2.8
137.09615	5.1
141.07013	6.9
142.07761	5.0
143.08557	26.2
145.06502	8.2
145.10109	41.9
147.08035	12.4
147.11691	27.2
149.05927	2.0
149.09602	10.2
149.13286	9.4
151.07497	3.7
151.11134	4.7
155.08546	9.6
157.06532	4.8
157.10118	24.5
159.08075	6.8
159.11682	31.2
161.09653	7.9
161.13251	14.7
163.11180	6.9
163.14838	4.8
167.08537	3.8
169.10132	12.7
171.08070	7.9
171.11659	19.8
173.09653	5.1
173.13264	24.3
175.11185	7.3
175.14824	6.9
177.12758	2.7
179.08546	2.2
181.10123	7.0
183.08089	2.1
183.11732	8.7
184.07324	18.3
185.07890	3.0
185.09480	3.8
185.13251	16.1
187.11177	6.9
187.14734	10.7
189.12761	6.6
191.14366	3.2
193.10063	2.4
195.11684	5.7
197.13260	9.3
199.11160	4.8
199.14813	9.8
201.12764	5.3
201.16495	3.5
203.14421	4.0
207.13762	2.5
209.13371	2.9
211.14828	2.9
213.12762	6.6
213.16444	4.1
215.14383	4.5
217.12463	2.3
217.15897	3.0
225.12737	2.4
225.16295	2.7
227.14355	4.0
231.13895	2.6
241.19536	2.9
255.21268	2.4
259.20602	5.1
261.22150	2.8
271.20596	7.9
273.22244	6.4
275.20129	4.3
275.23709	2.2
277.21701	5.7
283.20435	2.3
285.22040	2.6
289.21677	7.8
291.19589	2.1
291.23221	4.2
297.22089	2.6
301.21573	12.5
303.23184	8.6
309.22052	2.2
309.38507	2.2
313.21652	6.5
315.23282	15.8
319.22842	6.1
323.23596	3.7
327.23254	5.2
331.22696	8.1
333.22214	2.7
341.24765	13.9
345.24240	8.1
347.15509	2.4
351.23181	14.5
359.25842	5.7
369.24161	44.2
387.25266	45.6
405.26373	100.0
405.35242	5.3
406.26672	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	404.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92237	0.5
52.01324	0.4
56.96561	14.1
60.83355	0.5
67.05480	1.1
69.07051	0.9
69.37405	2.2
69.37837	2.6
71.95268	1.0
79.05461	1.2
81.03393	0.5
81.07062	0.9
85.02883	0.8
91.05438	1.4
93.06995	1.1
94.04160	1.4
95.08602	0.6
98.97574	40.1
105.06959	0.5
105.18626	0.5
108.95061	0.5
111.05862	0.6
116.98612	52.3
122.03634	4.7
123.23756	0.4
127.40075	0.5
129.50429	0.4
130.61151	0.6
134.99649	52.9
137.05969	41.5
137.06819	0.8
137.07031	1.4
138.06267	0.6
140.00151	3.1
142.95778	0.5
145.10080	0.6
153.00699	11.2
155.71069	0.6
158.01277	5.6
163.11014	0.5
176.02324	1.1
179.00226	0.9
197.01134	2.6
198.02005	0.9
198.28662	0.5
211.02785	1.2
215.02155	0.5
217.07730	0.7
220.00433	1.9
224.09541	0.8
226.11118	13.5
235.02756	41.3
236.03146	0.7
238.01434	2.6
241.03792	0.6
242.10500	1.2
244.12192	11.2
249.12767	0.7
252.05594	0.6
253.03821	100.0
254.04106	1.6
261.03238	0.6
264.05249	0.6
267.13751	1.3
268.12170	3.6
271.04807	7.5
276.05411	13.1
277.05630	0.9
280.12137	1.3
281.06888	0.7
286.13220	0.9
298.13345	0.7
309.14896	0.8
329.13037	1.8
342.06137	0.5
344.15210	5.5
362.16470	2.9
404.17422	68.0
405.17661	3.2
405.22687	1.2
426.75479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
51.84319	0.4
53.03942	2.4
55.05500	0.9
56.05030	0.5
56.96596	0.4
57.03428	1.4
60.04494	0.4
61.02892	0.5
64.05057	0.4
69.03425	8.6
70.06583	2.6
71.04975	1.4
71.30214	0.9
72.08138	1.1
72.93745	0.5
78.03446	9.7
80.05012	2.4
81.03412	13.9
83.04961	1.9
84.04469	0.9
84.08145	2.8
85.02895	7.8
85.03367	0.8
86.09702	0.9
88.03979	0.5
91.05505	0.6
95.93066	0.4
96.04490	5.4
97.02862	4.1
97.06527	0.8
99.04456	1.8
101.06027	4.4
106.02907	42.9
107.35810	0.4
109.02874	7.1
110.07121	0.7
120.08079	0.4
124.03944	100.0
125.04283	0.7
127.03903	5.0
129.10197	1.1
136.07558	0.8
143.23825	0.4
145.04869	0.7
145.62718	0.4
147.04443	0.5
157.19188	0.4
166.05014	1.5
198.89972	0.4
224.09164	0.7
232.06070	3.3
242.10237	3.9
250.07091	15.9
268.08136	49.2
286.09079	2.2
296.75934	0.4
309.47379	0.4
321.14496	0.4
345.78650	0.6
404.15350	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	404.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09160	9.5
53.72393	9.4
55.05499	12.4
55.93515	16.3
56.96569	11.5
62.33954	9.7
67.05489	16.1
69.07059	32.8
69.37138	11.8
69.37488	100.0
72.52847	9.6
72.93784	32.4
79.05476	13.0
81.03407	11.6
81.07065	25.3
90.94805	19.7
91.05490	12.5
91.88667	10.7
93.07054	14.3
95.04958	12.8
95.08609	20.8
107.08630	11.5
109.10138	12.6
117.07004	9.8
119.08598	9.9
133.10138	11.1
233.02591	9.9
283.06281	57.6
295.06091	11.2
300.00177	11.0
345.11533	100.0
363.12451	91.6
381.13525	23.1
386.14258	21.3
404.33047	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	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
55.05497	0.4
56.05023	0.6
56.96552	1.1
57.03429	4.0
60.04520	0.5
63.95052	0.3
65.03937	1.0
67.05499	0.9
69.03429	0.6
69.07056	0.6
69.71201	2.6
70.06590	3.3
71.04998	0.8
72.08144	1.4
73.02904	0.7
74.06071	0.6
75.04468	1.5
79.05493	0.6
81.03437	0.6
81.07041	0.6
84.04501	7.7
84.08147	1.9
85.02910	3.7
86.06078	0.4
86.09698	9.0
87.10037	0.6
88.03983	0.4
88.28007	0.4
91.05473	100.0
92.05778	0.6
92.58341	0.4
93.07026	0.7
95.01327	2.7
95.04943	1.4
95.08591	0.4
97.02910	0.4
102.05541	3.2
105.07038	0.8
107.08583	0.7
110.07150	1.0
113.02340	0.7
119.04903	0.7
119.08594	0.6
120.08100	1.5
121.02931	0.4
124.03918	2.3
127.03929	0.7
128.98737	0.4
129.06544	0.4
129.10167	0.9
130.04962	0.4
131.03424	0.7
135.08116	0.4
136.07608	0.6
137.05968	10.9
141.01817	5.0
142.08681	0.4
146.11743	5.4
147.04370	0.4
159.03108	0.6
167.08237	0.6
175.03917	0.9
190.95377	0.9
193.08591	53.2
194.08955	0.9
194.77266	0.4
195.07661	0.9
197.12849	0.7
211.09644	17.9
212.09958	0.5
213.08852	0.7
213.96835	0.6
231.09790	1.1
241.08075	1.2
259.09320	0.9
265.11093	1.0
268.08228	1.8
283.08344	0.6
283.12106	0.5
313.07947	0.5
331.09137	0.4
345.06656	1.0
351.10748	0.6
363.04022	0.4
363.07800	2.7
369.11716	1.5
381.04712	0.8
381.08908	0.9
391.94611	0.4
404.09476	0.9
404.16122	0.5
404.22470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.05492	2.3
56.05026	3.4
56.96564	5.5
57.03425	3.1
60.04522	2.1
62.06073	1.6
64.96622	0.7
67.05493	2.6
68.01455	0.7
68.05016	0.7
69.03418	2.9
69.07051	2.1
70.06582	10.5
70.95862	0.9
71.04996	3.9
71.60484	1.3
72.08157	4.5
73.02899	1.5
74.06059	1.0
75.04469	1.8
79.05489	2.3
81.03391	1.6
81.07054	3.1
83.04966	1.3
84.04495	26.7
84.08121	6.6
85.02890	6.9
85.06553	1.0
86.06055	1.2
86.09694	26.9
87.10010	1.0
88.03981	0.8
91.05470	100.0
93.07015	2.1
95.01314	2.8
95.04951	3.2
95.08594	2.0
96.08131	1.3
97.02906	0.8
97.06526	1.0
98.97622	0.8
99.04434	0.9
102.05536	10.3
103.03938	0.7
103.05482	1.0
104.07093	1.3
105.07020	2.5
107.08577	2.5
109.02818	1.1
109.06518	0.9
109.10135	1.2
110.07146	2.1
116.00172	1.1
116.06994	0.8
116.10699	1.0
116.98571	0.8
117.07025	1.3
119.04925	1.8
119.08557	2.1
120.08078	2.1
121.02898	1.2
121.10152	0.8
122.06033	1.0
123.08056	1.5
124.03934	3.1
127.03905	1.4
129.06596	2.6
129.10233	2.7
130.47580	0.7
131.08606	1.0
133.10085	1.0
134.01236	2.0
135.08043	2.4
136.07562	2.1
136.66707	0.8
137.05969	13.6
137.09605	0.9
141.01831	3.1
145.10086	1.2
146.11737	19.1
156.04227	1.1
159.03209	1.4
167.08128	3.2
168.06619	1.1
172.94278	1.2
173.13216	1.2
175.11125	1.1
177.09109	0.8
189.12790	0.8
190.95291	3.6
193.01488	0.8
193.08588	39.6
195.07619	3.5
197.12843	2.3
198.11206	0.8
199.02618	1.2
201.12451	0.9
211.09633	12.8
213.08682	2.8
213.97168	1.6
224.36055	0.8
227.05273	1.9
231.09763	4.4
234.98949	2.2
241.08076	4.4
257.14996	1.4
259.09247	2.8
265.07263	2.1
265.11066	3.0
268.08133	2.5
271.04242	3.6
281.08212	1.8
283.08478	2.9
283.12033	2.6
313.08112	0.8
317.06931	1.1
318.09497	1.1
328.21133	0.9
345.06750	4.2
345.10559	0.8
360.10373	2.4
363.03848	1.8
363.07831	9.2
369.11630	1.0
381.04959	2.7
381.09229	3.8
386.25345	1.7
404.09549	11.3
404.22849	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	404.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	3.5
56.96555	43.3
60.04510	3.1
60.88355	2.5
62.58958	2.5
70.06590	17.3
71.59465	3.6
71.60758	2.4
72.08140	4.7
74.06073	8.5
76.02199	9.8
76.97224	2.3
78.71438	2.7
79.05456	2.7
84.04484	11.5
84.08131	13.4
85.02868	2.5
85.06565	2.3
86.09688	34.0
87.05595	4.6
87.23343	2.4
91.05470	7.2
97.02869	4.4
97.06508	7.5
98.97575	2.8
102.05510	2.7
105.07063	6.4
106.02907	6.5
107.08550	3.4
109.06506	3.8
110.07149	11.2
116.98595	2.8
119.08541	6.1
121.10120	7.8
124.03958	13.7
127.03864	3.2
129.10211	10.0
130.04974	7.2
131.08566	5.7
133.01736	3.2
133.06027	2.5
133.10127	27.7
136.07613	3.0
138.05542	4.5
143.11745	4.6
145.10078	6.3
147.07634	3.6
149.01260	3.0
157.90831	2.5
159.03302	5.7
161.07425	2.8
172.94275	17.8
173.13239	9.7
178.79335	2.6
179.04909	3.3
187.36710	3.1
190.95329	38.3
205.05356	9.4
207.06967	3.0
216.96915	4.7
219.07123	3.5
223.06342	4.0
225.07956	3.4
231.07025	3.9
234.10854	3.8
237.04370	5.7
239.09492	3.6
243.12994	2.7
247.10014	22.3
257.31653	2.9
265.11072	48.3
268.07986	4.4
271.17538	3.8
283.12079	19.7
287.02670	4.4
300.98438	2.9
301.13135	3.5
305.03943	2.9
327.05615	12.9
330.04544	5.4
337.06454	2.9
345.06723	51.0
363.07727	31.8
381.08847	100.0
386.09647	3.0
399.09937	72.2
400.10165	4.2
404.10544	5.5
404.15231	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	403.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77938	3.5
55.05512	7.4
57.07062	8.0
65.15935	3.0
67.05511	18.5
69.07076	22.2
69.35201	5.2
69.35603	29.3
70.68645	3.0
71.05005	15.8
75.00014	3.4
79.05492	13.7
81.07053	46.1
83.08606	8.7
85.06539	100.0
91.05481	12.5
91.48679	3.7
93.07039	43.4
95.08604	66.4
97.06497	9.5
97.10068	3.2
105.07015	17.7
107.08605	49.0
109.10157	36.7
111.08105	5.1
111.11649	3.9
112.42333	3.4
119.08562	26.3
121.10134	47.2
123.11677	16.8
129.01857	25.2
133.10132	12.3
133.31633	3.5
135.11670	25.7
137.13278	5.6
139.00258	4.4
145.10129	5.4
147.11685	7.1
149.13258	35.4
157.01314	13.8
161.13275	20.6
163.14836	15.2
175.14812	7.5
177.16417	4.4
185.08047	10.4
189.16316	4.0
189.22823	3.3
191.17941	36.3
193.15842	28.4
203.17932	7.8
205.19542	9.5
217.19612	5.8
385.34613	21.4
403.19855	3.6
403.24405	17.0
403.35226	25.3
403.40182	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	403.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97059	0.2
53.03947	0.4
53.58435	0.3
55.01854	0.4
55.05506	2.3
56.96559	0.5
57.03415	0.5
65.03927	0.3
67.05505	4.7
67.05845	0.2
69.03423	1.3
69.07055	1.2
70.03860	0.3
70.06572	1.1
71.04982	0.7
72.08139	0.7
79.05496	1.9
81.03406	0.7
81.07056	6.3
83.04965	1.0
83.08605	0.7
84.08146	0.4
85.02899	0.7
85.06526	0.5
86.09699	0.4
91.05467	2.0
93.07057	2.2
95.04951	1.1
95.08604	3.0
97.02876	0.5
97.06527	1.8
97.10164	0.7
98.20765	0.6
98.97598	0.3
99.08083	0.7
103.98355	0.2
105.07024	1.8
107.04944	0.7
107.08620	1.5
109.02905	0.4
109.06493	0.8
109.10152	4.7
111.04479	0.3
117.06991	0.8
119.08576	3.5
121.06479	0.7
121.10105	1.2
122.07278	1.5
123.08085	0.6
123.11696	0.7
125.06071	0.2
125.09599	0.6
127.03947	0.6
127.07540	0.5
129.01772	0.3
129.06993	0.6
131.04874	0.3
131.08580	0.8
133.10092	0.8
134.99687	0.3
135.08064	0.7
135.11664	0.5
137.05910	0.4
137.09612	11.6
139.11174	1.0
145.06491	0.5
145.08609	0.5
145.10120	0.7
147.04440	0.4
147.08015	0.5
147.94215	0.3
149.09624	1.0
151.07513	0.5
157.07610	0.3
157.10127	0.4
159.07999	0.3
159.11758	0.7
161.09567	0.3
161.13309	0.5
163.11195	0.3
165.09106	100.0
166.09489	1.8
167.07037	0.3
169.10022	0.4
171.11607	0.3
173.13264	0.3
175.11168	0.5
177.09076	0.5
177.12782	0.3
189.12753	0.4
203.10742	0.4
203.71809	0.3
205.12225	2.0
210.14914	0.3
215.17825	0.4
233.18845	0.5
251.20044	0.5
367.22723	0.8
385.23770	1.6
385.27856	0.4
399.10596	0.5
403.12567	0.3
403.24918	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	403.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.1
56.05025	1.7
56.96572	1.2
57.03450	0.4
57.05817	0.8
59.77945	0.4
60.04522	0.8
60.60929	0.4
67.05502	1.3
69.03426	1.7
69.07070	1.5
70.06586	6.9
70.09414	1.1
70.09831	1.1
71.04977	0.5
71.06838	0.3
72.08151	100.0
73.08476	0.7
74.06096	0.6
79.05489	0.8
81.03424	1.4
81.07064	0.8
83.04977	1.5
83.06119	1.2
84.04502	2.8
84.08138	3.6
85.02907	2.6
85.06556	0.4
86.06101	0.4
86.09702	43.1
87.05581	0.6
87.10052	0.8
88.03981	0.7
91.05484	1.3
93.07023	0.7
95.04957	0.5
95.08600	0.8
96.04479	0.5
96.08168	0.4
97.02914	0.9
97.06554	0.8
98.97583	0.9
100.07639	0.6
102.05546	1.0
105.07014	0.8
106.02903	0.8
107.04949	0.8
107.08591	0.7
108.08116	0.6
109.02883	0.9
109.06507	0.6
110.07137	0.6
112.08726	0.5
115.08741	0.5
116.06308	0.4
116.07098	1.6
116.98612	1.4
118.11031	0.7
119.04956	1.2
119.08550	0.4
120.08111	1.4
121.06518	0.7
123.08082	0.7
124.03970	1.7
127.03923	1.0
129.01869	0.5
129.06697	0.8
129.10275	1.7
131.04945	0.7
133.06543	0.4
134.04527	0.8
134.08115	0.9
134.99673	0.8
136.07626	0.6
137.05989	1.1
139.07574	0.4
141.10217	0.6
143.11789	25.6
144.06566	0.8
145.04970	0.5
146.99678	0.4
147.03329	0.3
147.04404	1.8
148.03937	0.9
149.04768	1.6
150.09145	0.7
152.07182	0.4
157.03545	0.4
157.13405	0.4
158.99681	0.5
159.49257	0.4
162.07643	1.5
171.09822	0.9
171.11284	15.7
174.05989	0.5
175.10771	1.0
177.05557	0.6
180.06642	0.6
181.04962	0.5
185.12846	0.5
185.16463	0.6
187.14462	1.3
193.50624	0.4
196.14528	1.2
197.13007	0.8
201.12318	3.5
205.12238	0.5
207.06616	1.1
214.15521	0.5
215.13936	0.9
216.76848	0.5
216.78893	0.4
223.13361	1.4
224.13994	0.6
225.07690	0.7
225.15935	3.9
228.06589	0.9
229.11801	2.3
230.98189	0.6
233.11322	19.8
233.15106	0.8
236.05545	0.4
237.02893	0.6
241.07509	0.6
270.18124	5.3
359.13272	0.8
385.20648	0.9
403.12424	2.5
403.19424	2.5
404.14059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01862	4.2
55.05266	1.4
55.05498	6.9
56.05016	1.9
56.46439	1.3
56.96554	2.6
57.03427	3.1
57.86488	1.3
60.04505	2.3
65.30573	1.1
67.05502	9.2
69.03416	6.7
69.07065	10.8
70.02949	28.6
70.06588	13.9
71.01331	1.4
71.04414	1.3
71.04972	5.1
72.08144	4.9
72.93840	1.1
74.02435	27.6
74.06056	1.3
79.05487	12.8
81.03403	2.8
81.07049	24.8
83.04984	14.5
83.08599	3.2
84.04486	2.0
84.08129	6.0
85.02895	4.7
85.06518	3.5
86.09207	2.1
86.09703	24.6
87.05586	57.0
88.03989	22.5
91.05463	11.8
93.07037	26.8
95.04964	11.3
95.08605	14.9
96.08124	1.4
97.02892	2.6
97.06519	13.7
97.44802	1.1
98.02408	2.1
99.00813	1.1
99.04453	4.2
100.07587	1.3
105.07026	18.2
107.04916	3.7
107.08595	14.3
109.02879	1.7
109.06496	8.1
109.10149	6.8
110.07160	2.6
111.04397	1.6
111.08076	13.6
112.03931	2.2
113.06005	1.7
116.03442	8.3
119.04894	2.3
119.08580	11.1
119.46828	1.3
120.08083	2.8
121.06498	15.8
121.10155	2.9
123.04453	2.6
123.08041	3.7
123.11694	5.2
124.07581	1.4
125.05983	10.1
126.42721	1.1
127.03886	3.2
127.07570	1.4
128.06139	1.3
129.06995	1.8
129.10222	2.6
130.04991	1.0
131.08559	4.1
133.06076	100.0
133.10109	12.2
135.08023	9.1
136.07581	1.6
137.05977	4.6
137.09595	1.4
139.07544	8.6
141.05481	1.8
142.07704	2.5
143.07033	4.0
143.08525	2.8
145.06569	1.4
145.10094	4.1
147.08075	2.9
147.11670	21.7
148.07565	1.6
149.13216	2.6
150.96844	1.3
151.11179	3.3
152.06969	1.3
155.07069	1.4
155.10590	1.5
157.08760	1.5
157.10068	5.8
159.06551	2.2
159.07857	1.4
161.13216	3.2
163.11168	2.1
164.07030	1.3
165.09079	1.5
165.12709	7.0
167.07028	1.6
169.12247	13.0
171.11642	4.9
173.12895	3.6
175.11147	16.5
176.07048	1.5
176.98396	1.2
181.04887	2.8
181.09993	1.4
187.14381	2.2
189.12753	10.0
191.14128	1.2
193.12230	15.4
194.08192	1.5
198.07643	2.6
199.11159	5.7
207.13731	3.9
211.13266	16.3
215.10136	2.1
217.12271	16.3
229.12265	1.3
229.14352	4.7
235.13257	8.8
240.08675	2.1
244.13335	1.5
252.15689	1.5
253.14352	7.8
262.14325	1.5
270.16989	1.3
271.17377	2.2
278.17599	2.9
280.15591	1.6
286.14304	4.0
296.18423	1.2
304.15494	10.7
308.14941	4.0
321.17712	1.6
322.12714	1.4
322.16489	27.5
325.08075	2.0
326.15991	1.8
331.16638	1.6
332.14819	3.3
340.17474	4.6
349.17514	3.1
350.15869	4.1
367.18729	2.5
368.17001	3.2
385.19681	7.2
403.14984	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	403.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03931	0.7
55.01863	0.9
55.05499	0.9
56.05032	0.8
56.96520	0.5
57.03422	0.7
61.02906	0.7
62.59899	0.4
62.95612	0.5
65.03950	1.1
66.80960	0.4
67.05490	2.4
69.03416	0.8
69.07066	1.0
69.42994	4.4
70.06586	3.5
71.04977	0.7
72.08144	3.3
72.08472	0.5
79.05493	4.3
80.04995	1.9
81.03391	1.5
81.07044	2.0
83.05006	0.8
84.04472	0.5
84.08140	3.9
85.02882	1.3
86.09702	2.4
87.04536	0.6
91.05471	5.4
93.03397	1.1
93.05791	2.4
93.07030	3.5
94.06565	13.9
95.04959	2.7
95.08578	1.1
97.02889	1.1
97.06544	0.9
103.05457	3.8
105.05774	0.6
105.07032	1.0
106.06568	1.1
107.07359	0.7
107.08572	1.4
108.08111	38.5
109.06509	1.0
109.10142	0.6
110.05939	0.5
110.07153	0.6
110.09659	0.7
111.08015	0.5
116.04997	1.0
117.05759	0.7
118.06528	5.7
118.11025	1.2
119.07335	1.2
119.08593	1.0
120.08099	22.3
121.02834	0.7
121.05211	0.6
121.06477	0.6
121.08468	0.6
121.10132	0.7
122.06021	10.0
122.09657	0.6
127.03909	1.0
129.06995	0.7
129.10207	0.7
130.64539	0.5
133.10146	1.0
134.06006	0.7
136.07568	100.0
137.05977	0.5
137.07909	1.5
138.05452	0.5
138.09103	0.8
140.58517	0.5
144.08025	0.7
146.06004	19.5
147.04402	0.5
147.08041	0.7
147.11664	0.6
148.07567	47.6
149.07857	0.8
150.09143	0.8
152.07092	1.1
154.43648	0.4
158.09637	0.5
161.09644	0.5
162.09094	0.5
164.07057	49.5
165.07480	0.7
166.08705	1.1
167.07115	1.1
171.09172	0.5
172.07516	0.7
176.07083	1.1
181.04900	0.5
183.10402	0.5
185.10718	1.5
186.11647	0.7
188.07066	1.0
196.09923	0.8
199.12338	1.0
200.13123	1.4
201.13867	7.8
208.11093	0.5
209.10747	0.9
210.11560	2.0
211.12219	0.8
214.10982	1.2
217.05006	0.8
218.42088	0.6
222.68068	0.6
223.12367	0.9
224.09294	0.9
225.10229	0.8
225.13850	1.6
227.15454	0.6
228.12555	1.4
229.13335	13.6
230.13982	0.5
234.07579	4.8
238.10970	1.0
243.14894	1.2
251.07968	0.6
252.08676	10.0
253.13371	4.7
257.12814	10.4
271.14395	15.5
281.12805	7.8
299.13873	63.4
300.14209	1.7
313.15652	0.6
317.14963	2.2
341.15036	3.3
367.12885	1.5
371.12726	0.6
385.10083	0.6
385.14001	3.7
403.10556	1.2
403.15485	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	402.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.9
56.05029	2.3
56.96552	2.4
57.03434	1.0
57.05795	1.0
60.04511	1.4
67.05484	1.0
69.03413	4.3
69.07059	5.8
70.02940	2.3
70.06584	12.1
71.56676	1.1
71.57025	1.4
72.08151	100.0
76.03994	1.3
81.03395	1.3
81.07063	1.4
81.61954	0.9
82.06567	0.9
83.04962	2.0
83.06107	4.7
84.04498	11.8
84.08135	9.5
85.02913	4.4
85.03986	1.0
86.09698	54.9
87.05588	10.0
87.10023	1.4
88.03964	2.5
90.94829	1.1
91.05478	2.7
93.07045	1.0
95.04935	1.2
96.08098	2.5
97.02881	2.2
98.02421	1.7
98.97575	1.0
99.09208	1.3
101.07146	2.0
102.05515	1.4
103.05492	1.1
105.71613	0.9
107.04943	1.2
109.02859	1.1
110.02382	1.1
110.06026	2.8
110.07156	4.9
110.09658	1.1
115.08672	1.5
116.07100	1.5
119.04936	3.4
124.03979	1.6
124.07597	3.2
127.03926	1.5
127.08663	4.1
129.06595	1.3
129.10240	6.3
132.04388	1.3
132.10141	1.3
134.06029	1.0
136.07559	4.3
137.05968	2.9
138.09102	1.6
141.06532	1.0
141.10236	4.2
143.11751	1.9
144.06572	6.6
147.04372	7.0
147.07697	1.1
150.96884	0.8
152.06990	1.2
152.10718	1.1
154.08632	1.8
155.08099	1.0
155.11771	3.8
156.07672	0.9
157.09714	1.9
157.13274	1.1
161.09242	7.5
164.91628	0.8
166.08653	2.7
169.09724	9.9
172.07198	1.8
177.00592	1.4
183.11366	4.3
186.12305	5.2
187.10803	1.3
189.12364	11.4
196.14366	1.6
197.09209	6.7
197.12865	1.8
199.10779	1.6
200.13943	6.8
201.12354	1.2
206.37979	0.9
214.11845	40.3
215.10367	1.1
222.07509	1.0
228.13403	5.2
229.11867	1.5
234.99036	1.2
237.02899	1.6
237.13602	1.0
240.13484	2.5
246.14378	1.4
246.76781	1.0
259.11938	2.7
268.12878	1.1
269.11322	1.2
271.14163	1.5
272.12439	2.1
282.18134	4.8
286.13873	1.5
287.45340	1.1
301.14093	2.7
302.12421	1.2
303.16687	2.1
310.17551	1.0
327.20184	2.7
384.22250	2.1
402.18927	4.7
402.23386	1.2
403.14908	1.3
403.19656	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	401.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	16.2
57.07066	14.5
67.05495	38.8
69.07063	16.6
71.04985	16.6
79.05492	16.0
81.03422	10.8
81.07065	38.3
83.08637	10.0
86.11017	7.3
87.36179	8.3
91.05466	55.1
93.07036	47.6
95.04972	13.1
95.08591	29.8
97.02914	9.3
100.46205	9.1
105.07027	100.0
107.08566	38.4
109.06525	54.1
109.10143	29.4
113.18751	8.7
117.07008	37.4
119.08570	89.3
121.10140	23.4
125.48746	7.3
128.06200	18.5
129.07004	23.5
131.08592	57.9
133.10112	83.4
135.08063	13.6
135.11662	11.0
141.06943	12.5
142.07767	28.4
143.08531	33.4
145.10115	89.9
147.11636	19.0
155.08528	26.4
156.09312	21.5
157.10085	59.0
159.11664	39.4
167.08580	10.2
167.45541	7.8
168.09305	9.9
169.10033	11.3
170.10922	10.8
171.11673	36.4
173.13240	46.8
175.14824	16.1
179.08571	8.6
180.09277	9.6
181.10152	12.2
183.11665	25.2
185.13268	12.7
187.14851	31.1
193.10103	14.3
195.11710	20.2
197.13298	13.5
199.14848	15.7
204.09335	7.8
209.13237	27.0
220.12239	8.8
221.13217	12.7
235.14900	10.3
265.19470	10.5
287.99969	9.4
401.27582	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
55.05498	8.4
55.76309	1.6
56.96553	2.8
67.05501	13.4
69.03426	2.9
69.07053	4.8
70.06590	2.6
71.04955	2.4
71.59943	3.2
79.05478	11.6
81.03394	4.2
81.07051	10.8
83.04971	3.4
83.08612	2.7
84.08097	2.6
84.53776	1.7
85.02901	2.2
91.05469	8.1
93.07010	8.7
95.04962	6.5
95.08617	7.6
97.02895	2.7
97.06519	3.6
97.10158	1.7
105.07029	6.7
106.06577	3.2
107.08557	4.4
108.04471	5.1
109.02852	3.2
109.10115	9.7
116.98635	2.8
117.07001	3.8
119.04900	2.6
119.08547	4.6
121.06491	1.8
121.10162	4.1
123.06813	2.2
123.08033	3.7
123.11750	2.1
125.09663	2.0
129.06989	2.6
131.04851	1.6
131.08548	4.4
133.06454	3.7
133.10123	3.0
134.05962	2.6
135.11723	1.8
136.03929	5.5
136.07614	2.9
137.09630	2.1
138.09123	8.2
143.08585	4.3
145.06519	2.0
145.10107	2.2
146.06010	3.2
147.04344	2.1
147.08015	2.5
147.11674	3.5
157.06432	1.7
157.10197	2.2
159.11690	2.1
160.05229	1.6
161.05954	11.3
161.08273	2.2
161.09555	2.5
163.11183	2.0
164.07045	11.5
165.09059	2.0
167.07095	2.3
169.07704	2.7
173.09578	2.5
173.11670	1.7
175.72372	2.1
182.08113	50.0
182.09729	2.4
183.09143	6.4
195.09129	2.2
197.07082	6.3
198.09190	2.0
199.85005	1.7
211.08585	18.6
212.09392	18.0
213.10176	2.4
223.08627	5.7
225.06544	11.0
226.11052	1.8
227.08168	3.6
227.11765	6.7
229.07436	1.9
230.69354	1.9
239.08087	18.6
240.08900	60.2
241.09526	2.4
243.60014	1.9
253.09709	5.6
255.11259	100.0
256.11621	2.8
267.07675	5.6
273.12265	6.8
273.14948	3.1
281.09152	5.5
282.09952	13.7
289.14371	4.9
297.12271	47.2
298.12775	2.5
315.13486	21.1
337.21744	2.4
355.22687	2.9
357.14182	8.9
359.12363	22.8
365.21216	5.6
383.22104	23.9
401.13422	56.8
401.22986	18.6
402.13123	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	401.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58153	0.3
62.36660	0.4
65.03928	1.1
67.05498	1.3
69.93560	2.0
79.05484	3.4
80.05000	0.4
89.03924	0.4
91.05476	2.0
92.04999	1.4
93.05752	0.9
93.07030	2.4
94.06562	3.7
95.04945	1.3
95.07393	0.4
96.08125	0.4
103.05460	2.0
105.05760	0.6
106.06536	2.2
107.07330	1.0
108.08108	31.2
109.08382	0.5
110.06039	0.4
116.04951	0.5
118.06540	0.9
119.07313	0.7
120.04459	8.6
120.08098	11.0
132.04463	0.9
132.10744	0.3
134.06006	3.7
135.06808	0.8
136.07565	100.0
137.07886	1.7
138.05499	3.2
144.04466	0.6
144.08063	0.4
146.06004	0.8
148.07559	20.1
149.07910	0.5
152.07019	1.3
162.05490	59.8
163.05846	1.7
167.07228	0.9
170.08183	0.4
172.11247	0.7
174.05508	1.6
182.09636	1.4
183.09207	1.0
184.09984	3.6
186.09198	0.5
197.10625	0.9
198.07664	0.4
198.11473	1.5
199.12248	3.0
209.10742	1.1
210.09212	0.8
211.08684	0.7
212.09352	3.0
223.12369	0.5
226.10999	1.5
227.11761	12.4
228.12285	0.5
231.57350	0.4
236.09428	0.5
237.10155	0.5
240.08852	2.3
251.11790	1.5
252.08456	0.6
254.10417	2.0
255.11279	13.7
256.11560	0.8
269.12823	24.8
270.13156	1.1
273.12320	1.0
297.12308	99.1
298.12662	5.3
315.13217	0.8
357.08627	1.3
388.00922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	16.5
57.03070	2.3
57.82740	1.8
60.40895	2.0
61.98311	1.9
67.92892	2.2
71.58775	3.2
71.95215	2.0
98.97575	57.7
98.98193	4.7
116.98609	91.3
117.98953	3.0
118.98173	2.5
134.99652	88.7
136.00020	4.0
153.00713	20.0
177.00975	7.7
179.00749	3.3
190.95383	3.7
192.98769	3.3
208.96378	5.1
210.51413	2.3
216.98598	2.7
219.02023	9.3
220.02254	2.9
221.01843	6.4
232.96527	7.5
233.96997	2.9
234.99840	8.4
236.00073	3.0
236.99782	7.8
240.98839	5.7
250.97403	4.9
252.97234	4.9
255.00769	2.8
256.96576	9.2
258.97031	4.9
258.99783	50.0
260.00156	6.8
260.99753	10.5
261.03082	13.6
261.99805	3.6
262.03021	5.3
263.02936	11.2
264.99002	4.2
274.97513	59.6
275.97928	10.3
276.97540	18.6
277.00787	100.0
278.01096	8.5
279.00781	22.9
280.01001	5.8
282.01633	2.9
283.00082	22.3
284.00073	2.7
284.99792	13.5
292.98499	54.8
293.98962	7.1
294.98645	14.7
300.02408	6.3
300.97617	14.8
301.01068	53.2
302.01056	11.6
303.00879	42.4
304.01035	5.3
316.98972	8.7
317.98959	4.1
318.70718	2.6
318.98602	37.8
319.02118	3.9
319.99091	2.9
321.02036	3.1
359.01730	11.3
376.98761	16.4
377.03177	5.7
377.50113	2.4
401.01157	24.6
402.01779	3.0
418.98184	7.8
419.02890	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	400.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.4
55.05494	3.0
63.47191	1.2
66.01466	1.0
67.05474	1.7
68.99799	1.3
69.07050	3.7
69.55849	3.2
69.56264	5.9
70.07388	1.4
70.61676	1.2
71.08609	3.8
72.08137	2.3
73.02904	3.8
79.05477	8.0
81.07054	14.6
85.02901	1.6
86.06039	2.4
87.00825	1.5
87.04456	31.3
89.02390	22.2
91.05476	7.5
93.07033	1.4
95.04958	1.2
96.08098	3.2
97.06532	5.6
98.06839	1.2
98.09682	8.7
98.20737	1.8
99.08169	1.2
101.02381	6.1
107.08606	1.9
109.06503	37.1
109.10210	1.1
110.09619	1.2
111.08049	3.3
113.02345	3.3
116.10729	1.5
119.08562	1.6
124.07549	2.4
124.11218	1.7
126.09164	2.5
131.03386	22.6
134.09619	3.2
135.08022	1.9
136.07565	1.8
137.05966	24.6
137.08369	1.5
137.09525	1.2
138.09045	1.1
142.12259	60.5
143.12624	1.7
152.10693	11.0
153.01822	5.0
154.02155	1.6
154.07541	1.0
154.08611	7.5
155.07016	2.4
165.09053	6.4
180.10176	8.5
190.04408	1.3
198.11269	11.8
201.05348	1.1
202.05817	1.4
202.10747	1.6
214.00699	1.3
216.12218	1.7
217.04962	3.8
218.05309	4.0
220.61301	1.3
229.04861	2.3
230.05304	3.9
240.12274	11.2
245.04488	3.7
246.04755	5.5
256.11896	1.7
258.04825	1.8
266.10376	2.4
270.04773	2.3
272.06384	1.9
273.03870	2.4
274.04251	5.6
275.04770	1.3
284.11261	76.6
285.03836	1.8
285.11560	1.7
286.04312	3.4
296.18539	57.9
297.18747	1.5
299.05347	2.2
300.05740	7.4
301.03497	3.6
302.03833	12.8
302.12317	35.3
303.04666	4.8
304.05319	4.4
305.14493	1.1
313.03391	7.3
314.03766	22.7
315.04041	2.9
326.07465	1.7
327.04749	2.0
328.08987	1.2
355.08127	1.8
356.08453	22.8
400.11050	100.0
401.11197	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	399.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41901	1.8
53.03941	3.1
55.01878	2.1
55.05503	15.5
56.96560	4.1
57.07063	8.1
61.02941	3.5
65.03339	2.0
66.56344	2.1
67.05505	40.4
69.03421	3.3
69.07065	20.2
69.38653	7.5
69.39085	10.0
71.08618	4.5
79.05490	28.9
81.03421	3.3
81.07056	72.1
83.08616	9.8
85.02893	2.6
86.09706	14.7
87.94987	2.2
91.05474	21.1
93.07049	50.0
95.04971	8.1
95.08606	85.8
97.02908	3.3
97.06529	3.2
97.10164	5.7
99.73155	1.7
105.07025	41.7
107.08594	74.3
109.06512	10.3
109.10155	48.2
111.08077	7.5
113.45424	1.7
117.07039	5.9
119.08582	47.2
121.06538	3.6
121.10148	54.3
121.11021	2.9
123.08070	100.0
123.11685	23.8
124.08378	1.6
125.09615	5.2
127.07587	11.3
127.08419	1.6
131.08557	12.0
132.10223	7.8
133.10124	44.9
135.08052	6.6
135.11690	46.6
135.12700	3.0
137.09621	59.5
137.13281	9.4
139.11217	2.4
143.08559	5.2
145.10107	21.3
147.08037	2.5
147.11684	32.2
147.12784	2.8
149.09616	6.1
149.13240	20.3
151.11185	29.1
153.12686	1.9
157.10141	6.0
158.10796	2.1
159.11700	17.9
161.09651	5.6
161.13281	22.1
163.11174	12.0
163.14825	18.1
165.12749	32.0
166.93294	1.8
169.10097	2.2
171.11714	7.3
173.09683	1.8
173.13287	15.6
175.11255	5.4
175.14838	20.5
177.12787	22.7
177.16377	35.9
177.17838	3.4
179.14334	6.2
182.06329	1.7
183.11705	3.9
185.13246	8.8
187.14784	11.9
189.12726	6.4
189.16353	12.9
191.14333	15.6
191.18030	2.8
199.14873	5.1
201.16425	11.9
203.14331	17.1
203.17953	24.4
205.15955	10.9
207.17432	2.0
213.16432	8.4
215.17950	3.0
217.15936	6.2
217.19514	29.6
219.17407	14.4
225.16408	4.5
227.17934	12.4
229.19574	5.4
231.17442	4.4
231.21086	3.6
241.19539	6.5
243.17468	3.0
243.21242	2.9
245.19002	10.8
247.20589	5.6
253.19518	2.4
257.18872	2.1
259.20648	5.4
267.09119	4.7
267.21078	2.4
268.09341	2.4
269.22675	2.1
271.20532	4.1
285.10062	5.5
285.22119	2.2
286.10544	2.0
294.19284	2.0
318.18243	2.1
363.30460	18.4
381.31543	52.0
399.11111	2.8
399.32617	50.6
400.33228	3.8
410.30276	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	399.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77956	0.5
53.03937	1.6
55.01863	1.0
55.05500	1.3
56.05013	0.8
56.96550	0.7
57.03178	0.5
57.03437	6.0
61.02922	3.4
65.03931	0.5
67.05489	1.1
68.05027	0.4
69.03075	0.8
69.03429	11.2
69.07041	0.7
70.06243	0.5
70.06590	7.2
71.01386	0.4
71.04977	1.4
71.08615	0.6
71.59315	0.7
71.59713	0.5
72.08138	3.3
72.93829	0.5
73.02908	1.7
75.04471	1.1
77.03913	0.5
79.05496	0.8
81.03410	4.9
81.07037	0.6
83.01360	0.5
83.04982	1.1
84.04510	1.6
84.08150	3.4
85.02900	24.3
85.08513	0.4
86.03208	0.5
86.09698	3.5
87.00841	0.6
87.04466	1.3
88.04010	0.5
91.03944	1.0
91.05482	2.3
93.07027	1.0
94.06541	0.5
95.04961	1.7
95.06093	0.5
97.02890	11.1
97.06526	1.0
98.06097	0.5
99.04443	1.9
101.06004	0.8
102.04648	0.9
102.05518	0.7
103.04032	2.4
103.05463	47.7
104.05766	0.7
105.01859	0.5
105.04507	0.5
105.07028	1.6
107.04945	0.6
109.02863	4.1
110.07152	1.1
111.04433	0.7
116.07082	1.1
117.05489	1.8
117.07030	0.6
119.04934	1.2
120.08117	0.7
121.02869	0.7
122.06030	0.5
123.08015	0.5
123.99081	0.4
127.03916	9.1
129.05458	1.3
129.10234	1.8
130.04137	1.1
131.04922	100.0
132.04445	2.3
132.05298	0.7
133.04816	1.7
133.06479	1.3
136.06201	2.7
136.07581	0.8
145.04980	2.8
145.06448	0.6
147.04408	3.9
147.06526	0.6
148.05177	12.2
157.06467	0.5
161.05963	3.3
162.06700	0.9
162.07846	1.0
163.07530	49.1
164.07973	0.9
165.05548	0.4
169.13464	0.4
175.07567	1.1
181.08725	0.6
184.07306	1.1
187.07411	0.7
188.05693	1.0
189.05977	0.8
189.09152	0.9
200.61339	0.4
201.09164	2.2
204.07985	0.5
219.10150	0.7
233.26013	0.4
236.56033	0.8
237.02814	0.5
237.11224	1.9
248.24582	0.4
250.09314	1.3
260.06039	0.4
266.08844	2.0
267.09064	4.4
399.12399	0.8
399.16315	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	399.1284
Annotation	Cnidioside B
Peak:m/z	Relative Intensity
55.01845	0.5
55.05497	1.8
56.05028	1.2
56.96547	0.7
57.45769	0.5
60.04510	0.6
60.66176	0.6
67.05495	1.7
68.99776	1.7
69.03399	2.7
69.07056	1.1
69.56063	4.6
69.56467	1.2
70.06588	26.3
70.44826	0.6
70.52724	0.6
71.04982	0.8
71.06947	0.8
71.08600	0.6
72.08141	7.3
74.45939	0.7
79.05463	1.8
80.69705	0.7
81.03407	1.7
81.07034	1.5
84.04475	1.8
84.08131	3.6
85.02892	4.2
85.06521	1.0
86.09697	11.2
87.00805	0.6
87.10017	0.8
90.26090	0.7
91.05466	2.4
93.07023	2.2
93.98359	0.6
95.04967	1.0
95.08594	2.4
97.02864	3.1
97.06495	0.9
98.06049	1.2
99.04452	1.0
102.05521	1.0
103.05457	0.8
105.07018	2.7
107.04936	1.8
107.08553	1.9
109.02902	1.0
110.07124	1.8
111.04396	0.8
115.05436	0.7
115.08704	0.7
116.06435	0.6
116.07101	6.1
117.06978	1.5
119.04879	0.7
119.08632	1.4
120.08094	1.0
121.02853	16.2
121.06504	3.7
121.10121	0.8
123.08054	1.1
124.03950	0.7
125.07152	0.8
127.03879	2.1
127.57635	0.6
129.05505	1.0
129.07008	0.8
129.10242	1.7
130.06529	6.3
131.04881	0.6
131.08560	1.1
131.24403	0.6
132.08066	1.8
133.06396	0.8
133.10115	0.9
134.05997	1.0
134.64825	0.7
135.04437	3.7
135.08000	3.0
136.06183	1.3
136.07501	0.7
137.05893	0.8
143.11787	2.0
145.04945	1.1
145.06474	2.1
145.10014	1.0
147.04382	1.0
147.06369	0.7
149.02312	2.1
149.05972	2.6
157.13322	1.1
159.09171	7.8
161.05913	0.8
163.03894	40.4
163.07526	23.7
163.11134	0.8
165.71086	0.6
167.03413	3.8
170.05995	4.2
171.11293	1.7
173.05940	3.2
173.13271	0.9
175.03914	1.4
176.04733	0.8
177.01816	52.0
177.05432	2.4
178.02106	0.8
185.10936	0.8
185.12817	1.6
191.03377	34.2
191.06995	9.0
192.04039	0.8
193.04958	5.4
201.05481	5.0
213.12311	6.9
215.13779	1.2
219.06503	100.0
220.06844	1.1
237.07550	75.3
238.07834	1.1
239.11801	1.7
250.09322	0.9
256.14423	2.2
269.04684	0.6
284.13852	2.6
284.19690	0.7
291.19250	0.7
327.08313	0.8
355.08032	2.2
382.17673	1.8
399.11145	1.1
399.15955	1.8
399.20331	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	399.1073
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
53.34341	0.5
55.01867	1.6
55.05510	0.6
57.03427	1.0
60.19376	0.5
62.46961	0.5
64.77895	0.4
65.05674	0.4
67.01846	2.0
67.05488	0.7
68.99785	3.9
69.03409	1.9
69.07047	1.8
70.05813	2.2
71.04977	0.5
71.34361	0.4
74.64417	0.5
79.05482	1.6
81.03417	0.5
81.07046	0.4
83.04972	0.7
91.05466	0.8
93.03386	0.5
95.04938	1.0
95.08559	0.5
97.02873	1.5
97.06528	4.4
102.20483	0.5
103.05442	0.7
105.07040	0.6
109.02879	1.4
111.00793	2.8
115.05449	1.2
121.02858	1.0
123.04410	1.5
127.03915	1.4
128.06233	1.1
129.06960	1.2
131.08572	0.5
131.71164	0.5
133.06477	0.8
137.02333	1.9
137.05872	0.6
139.03899	1.4
141.06992	1.1
143.04892	0.8
143.08530	1.3
145.06465	1.2
147.04379	1.5
148.05173	0.5
149.05904	0.5
151.07436	0.5
152.06238	0.6
153.01819	100.0
153.06996	3.9
154.02141	1.3
155.03392	1.3
155.04848	1.0
155.06085	0.5
155.08559	1.2
157.06442	1.1
159.07915	0.6
160.05176	2.3
161.05986	5.0
163.03870	0.6
165.01830	3.3
165.06982	0.5
169.06485	0.6
171.02806	1.4
171.04359	0.8
171.08041	2.1
172.05107	0.6
173.05992	3.9
175.03902	1.4
175.07574	3.2
177.05449	0.6
179.03333	0.7
181.01375	0.8
181.06493	2.6
183.02878	0.5
183.04492	0.6
183.08090	0.9
184.05190	0.8
185.06013	0.8
187.03903	1.1
187.07581	2.7
188.04741	0.6
188.08292	1.0
189.05516	2.5
189.09105	2.6
195.02927	0.7
195.07993	0.5
197.06047	0.7
199.03957	0.6
199.07532	4.1
200.04707	1.1
201.05438	4.4
201.09093	1.7
203.03435	2.7
203.07019	2.0
205.08458	0.5
209.05901	0.9
211.07561	0.7
213.05492	1.6
215.03476	0.5
215.07007	2.7
217.04977	5.0
217.08551	1.7
225.09113	0.7
227.03441	0.7
227.06995	5.3
229.05026	3.3
229.08557	5.8
231.06500	2.6
237.05441	1.1
240.04129	0.8
241.05011	1.2
241.08592	0.8
242.05513	0.9
243.06432	1.4
245.04414	4.1
245.08023	2.8
250.06241	0.8
253.04982	1.2
255.06511	12.3
255.09215	0.6
256.06851	0.5
257.04492	2.1
259.05997	0.8
265.04993	0.6
265.08731	0.5
269.04416	3.4
269.07968	1.3
270.05212	2.1
271.06003	1.3
273.04004	5.0
273.07562	17.9
278.05670	0.7
279.06537	1.6
281.04663	1.1
281.08054	1.2
282.05228	2.2
285.03845	4.6
287.05472	0.7
289.08380	0.5
292.07269	0.8
293.07965	0.5
294.05374	0.8
295.06036	1.7
296.06781	0.8
297.03976	1.8
297.07584	1.8
298.04758	4.7
299.05530	6.5
299.08826	0.7
301.03458	6.8
302.04102	1.4
303.04950	4.5
306.05246	1.4
307.06277	0.9
307.09607	1.4
309.07645	2.9
310.04654	0.6
311.05460	4.0
311.08929	1.0
313.03448	18.3
313.06958	1.8
314.03931	0.9
315.04910	0.5
319.06046	0.9
320.06778	1.0
323.05389	1.5
324.06226	2.2
325.03430	0.7
325.07068	4.2
325.10629	0.9
326.04346	3.3
327.04959	6.3
327.08627	2.0
334.04684	1.7
335.05334	1.5
335.09140	3.5
337.07108	4.4
338.07608	0.6
339.04837	1.6
339.08755	1.5
340.05710	1.9
342.07382	1.1
343.07870	0.6
345.07764	0.7
348.06384	0.8
351.04614	0.9
352.05557	0.6
353.06464	0.7
353.10229	4.3
355.08105	41.4
356.08444	1.0
363.08566	5.9
381.04807	1.1
381.09647	17.9
399.10727	85.2
400.11008	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1074
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
51.92580	0.5
55.01848	1.9
55.05514	0.6
57.03431	1.5
64.16790	0.5
67.01855	2.4
67.05482	0.6
68.99788	4.2
69.03417	2.2
69.07058	1.5
71.13082	1.6
79.05486	2.2
81.03394	0.7
83.04944	1.1
90.40870	0.6
91.05479	1.2
92.13010	0.5
95.04982	0.7
97.02892	0.9
97.06526	6.0
105.03381	0.5
105.07034	1.0
109.02895	0.8
111.00802	3.3
115.05467	1.5
117.06940	0.6
121.02829	0.7
123.04453	1.2
124.14525	0.6
128.06226	1.5
129.06999	1.0
130.29401	0.5
131.04965	0.7
133.06508	0.7
137.02339	2.5
139.03920	1.3
141.07071	0.6
143.04890	0.8
143.08548	1.1
145.06459	1.8
147.04408	2.4
149.05936	0.6
153.01826	93.5
153.06879	2.9
154.02144	1.0
155.04883	1.1
155.08548	1.2
157.06485	1.4
159.08061	0.8
160.05205	1.9
161.05989	5.0
163.03906	0.6
165.01822	4.3
169.06451	0.9
171.02966	1.1
171.04387	1.2
171.08011	1.3
173.06004	2.7
175.03893	0.9
175.07536	2.6
179.03389	0.9
181.06564	2.8
183.02931	0.7
183.08133	1.0
185.05949	1.0
187.03896	1.3
187.07578	2.1
188.08150	0.7
189.05467	3.5
189.09023	1.5
191.03438	0.9
195.02910	1.2
197.06087	0.8
198.06746	0.7
199.07549	3.9
200.04636	1.2
201.05428	4.0
201.09160	1.9
203.03349	3.3
203.07022	1.7
211.07594	0.9
213.05508	1.7
214.06413	0.7
215.03526	0.6
215.07019	2.1
217.04961	6.9
217.08601	1.2
227.03389	0.9
227.07010	4.6
227.16672	0.7
228.04256	0.8
229.05008	4.4
229.08542	3.9
231.02901	1.1
231.06573	1.7
237.05426	1.9
240.04193	0.8
241.04903	1.0
241.08528	0.7
242.05655	1.4
243.06569	1.5
245.04460	5.8
245.08099	2.1
251.07156	0.8
253.05006	1.0
255.06522	10.3
257.04379	1.4
258.05325	1.0
259.05887	0.8
263.06964	0.9
265.05017	0.8
269.04486	4.7
269.08139	1.4
270.05167	2.1
271.06055	1.4
273.04013	5.1
273.07584	14.3
274.04861	1.0
278.05560	0.7
279.06396	1.3
281.04663	1.3
281.07919	1.3
282.05191	2.3
283.05978	0.9
285.03943	5.4
286.04388	0.8
287.05460	0.7
289.08447	0.7
292.07480	0.7
295.05902	1.0
297.04156	1.4
297.07639	1.9
298.04697	4.0
299.05539	7.7
301.03433	9.7
302.04251	2.6
302.32156	0.7
303.04968	6.9
306.05179	1.4
307.06332	0.9
307.09644	2.3
309.07608	2.5
311.05490	3.8
311.08911	1.3
313.03458	26.3
313.07086	1.9
314.04004	1.0
315.04858	1.1
317.08142	1.1
319.06021	0.7
320.06967	1.0
323.05447	1.7
324.06317	1.9
325.03610	0.8
325.07101	4.2
325.10535	1.0
326.04315	3.7
327.04980	5.5
327.08667	1.7
334.04709	1.6
335.05716	0.9
335.09140	2.6
337.06992	3.5
339.04947	1.5
339.08560	0.8
340.05685	1.1
342.07324	1.5
348.06415	0.7
351.04709	0.6
353.10294	3.9
355.08127	45.9
356.08530	1.9
357.05835	0.8
363.08691	5.2
381.09683	14.2
399.10748	100.0
400.11121	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	398.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.3
55.05500	1.9
55.93499	0.8
56.05013	2.6
56.96558	1.7
57.03431	0.8
60.04515	3.2
61.02914	0.8
69.03415	2.0
69.07046	1.2
70.06586	13.6
71.06924	0.9
71.23164	1.7
72.08148	7.4
74.06071	1.5
79.05470	1.0
81.03391	1.2
83.04975	2.1
84.04501	5.0
84.08131	12.0
85.02901	4.6
86.09695	7.0
88.03962	1.2
89.03897	0.9
91.05463	2.1
93.07024	1.3
95.04947	2.6
97.02876	3.2
98.97565	0.9
102.05513	1.8
105.07005	0.9
107.04931	6.5
109.02834	0.8
110.03517	4.1
110.07163	5.6
111.04417	2.4
112.07604	0.8
116.07073	1.5
117.07073	1.0
119.04940	2.4
120.08092	1.7
123.04417	1.6
127.03844	1.1
129.05489	0.9
129.10254	5.9
132.04437	2.2
132.08087	2.6
133.06493	1.5
134.05997	1.1
135.04402	2.9
136.06171	1.6
136.07547	3.9
137.05981	1.0
137.08203	2.1
145.02852	0.7
145.06459	2.3
146.06059	0.8
147.04388	6.9
148.07503	1.5
150.05505	0.7
150.09154	1.4
152.05627	0.9
152.07043	0.8
153.04063	2.4
157.04947	0.7
160.07550	3.6
161.05974	2.2
162.01549	0.8
162.07764	2.4
162.09088	1.5
163.03891	7.3
163.07516	0.9
164.07013	1.4
167.95653	0.7
172.07541	0.9
178.08681	1.8
180.08791	100.0
184.07327	1.3
188.05563	1.1
188.07056	4.7
189.05504	1.5
190.08559	0.9
206.08133	7.0
224.09271	1.8
232.09610	0.8
235.06021	2.9
236.06313	5.2
237.02711	0.9
237.56770	1.1
266.08875	3.7
280.15857	0.8
350.94641	1.2
380.13388	2.5
392.95798	1.0
398.07877	1.2
398.14200	6.1
398.26047	0.8
398.31995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01860	5.5
55.05506	8.9
56.05022	7.7
56.96557	3.4
60.04531	3.3
65.03935	11.4
67.05505	17.4
68.99789	2.8
69.03435	17.5
69.07025	2.9
69.32508	33.9
70.06591	42.7
72.08143	12.8
73.06552	42.7
79.05485	10.8
81.03403	5.7
81.07043	3.6
83.04974	54.6
84.04494	33.0
84.08141	17.6
85.02904	25.9
86.09705	17.5
87.04461	4.7
91.05472	34.9
93.03391	15.4
95.04939	19.2
97.02877	10.0
99.04427	4.4
102.05534	6.2
103.05453	8.7
105.01884	3.2
105.07024	11.6
107.04946	100.0
109.02859	6.0
110.07147	8.5
111.04436	55.9
115.05438	8.1
115.07578	34.3
116.98591	5.4
117.07014	10.8
118.06537	3.9
119.04922	38.1
120.08099	9.1
121.02848	10.8
123.04417	13.8
124.03915	4.7
127.03919	10.7
129.05452	30.0
129.10278	7.1
131.04933	4.6
132.08105	23.8
133.06461	23.9
133.08580	15.3
134.05986	7.2
135.04393	30.0
135.07962	4.0
136.07573	13.7
139.03902	30.2
145.05281	3.9
145.06451	28.9
146.06009	17.5
147.04399	95.3
147.06699	5.0
148.04781	10.4
148.07558	29.8
149.08363	23.9
150.09113	14.1
157.04948	19.5
160.07576	69.3
161.05949	27.9
162.05461	7.1
162.09106	14.9
163.03903	44.8
163.07472	8.8
164.07074	9.4
165.05486	8.7
171.04414	7.3
172.04991	3.1
173.04726	9.8
175.06013	13.7
175.07417	4.1
176.06961	3.9
177.05405	3.7
178.08633	27.7
188.07050	96.2
189.05455	27.5
203.05420	5.8
204.11722	3.7
206.08116	96.7
207.06502	7.3
207.08380	5.1
224.09174	23.5
236.88211	3.3
276.10895	3.3
334.12634	6.0
337.09067	21.2
378.53452	3.0
380.13223	39.8
380.17102	3.4
398.14410	82.6
398.26376	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	398.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.1
55.02971	0.2
55.05490	0.2
56.05017	0.4
60.04509	0.3
69.03409	0.6
69.62989	0.7
69.63397	0.2
70.06586	2.1
70.69436	0.2
71.06110	0.5
72.08151	0.9
73.02850	0.2
81.03394	0.3
82.04038	0.2
83.04942	0.2
84.04474	0.5
84.08137	1.8
85.02911	0.7
85.08463	0.2
86.09706	1.0
86.57645	0.1
87.00815	0.2
90.94802	0.2
91.05455	0.5
93.07024	0.2
97.02876	0.7
97.06505	0.2
105.06965	0.1
107.04929	0.5
109.02873	0.2
110.03514	4.6
110.07152	0.5
111.04454	0.3
116.07064	0.4
119.04919	0.8
120.08068	0.3
122.05913	0.3
123.04414	0.2
128.04565	1.0
129.10201	0.6
131.04942	0.2
132.08067	0.6
132.95828	0.1
133.51106	0.2
134.06020	0.2
135.02989	0.4
135.04420	0.2
136.07568	0.2
137.08223	2.0
139.03867	0.2
145.06543	0.1
146.06009	0.2
147.04390	2.4
147.08034	0.2
148.07516	0.2
153.04077	2.7
156.07642	0.2
158.97302	0.2
160.07600	0.3
161.05878	0.2
162.07741	0.9
162.08914	0.1
163.03915	0.4
163.07533	0.2
165.06470	0.5
165.09038	0.2
176.98441	0.2
178.08627	0.2
180.08788	100.0
181.09184	1.2
184.07295	0.3
188.07042	0.9
189.05505	0.3
190.08525	0.2
206.08107	0.6
218.08170	0.2
234.99007	0.5
236.09152	0.5
258.65094	0.2
262.89572	0.3
266.08801	0.6
286.89410	0.4
309.78162	0.2
330.68713	0.2
350.94626	0.2
380.13412	0.2
392.95401	0.2
395.23724	0.2
398.14011	1.3
399.07605	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	397.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.3
55.05513	10.5
56.96561	5.1
57.03434	3.4
57.07074	2.4
61.02917	4.2
67.05167	2.2
67.05502	22.5
69.03419	6.4
69.07069	32.6
70.45461	6.5
71.05007	3.3
72.93774	2.3
73.02930	3.0
76.26505	1.8
78.04728	1.9
79.05495	24.1
81.03417	9.2
81.06623	3.1
81.07055	27.7
83.04971	5.6
83.08617	5.5
84.04533	1.7
85.02872	4.3
91.03993	2.5
91.05488	17.6
93.07042	21.2
95.04972	16.1
95.08620	18.9
97.02892	4.7
97.06544	12.1
98.97599	2.0
103.05444	2.0
105.07027	14.9
107.04977	13.9
107.08601	10.6
109.02852	2.3
109.06498	5.3
109.10124	9.4
111.08057	2.8
117.07021	8.7
119.08580	11.0
121.06535	6.2
121.10165	5.4
123.08049	7.7
125.09638	5.9
127.03870	2.3
128.06209	2.0
129.06961	2.3
131.08553	6.0
133.10158	9.8
135.08047	2.5
135.11684	10.3
137.09703	2.0
141.06963	4.5
143.08566	3.5
145.06487	5.5
145.10127	12.3
147.11694	5.4
149.13261	4.7
157.10097	3.7
159.11700	8.1
161.09636	2.3
161.13306	4.6
163.11168	2.4
169.10207	3.9
171.11638	2.1
173.13292	4.2
175.11182	2.3
175.14795	4.2
177.12740	6.4
179.14331	4.5
187.11162	9.1
193.15939	4.0
205.12300	2.8
239.18098	3.1
241.14384	11.8
244.88293	2.4
257.19022	3.2
261.40897	1.9
262.89514	8.2
267.08981	3.2
275.20047	26.9
285.10126	8.3
286.89423	8.5
293.17795	4.8
293.21106	100.0
294.21463	3.1
304.90204	2.8
308.93439	2.5
349.17007	3.6
350.94592	17.2
351.94412	2.5
365.16580	3.5
392.95825	5.0
397.17828	2.7
399.36453	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	398.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01866	2.0
55.05495	4.3
55.93517	1.5
56.05021	4.6
56.42396	1.5
56.96563	1.6
57.03424	3.2
58.06570	1.3
60.04505	4.8
61.02916	2.5
65.03899	1.4
67.05476	1.8
68.05039	1.3
69.03428	10.7
69.07056	3.2
70.06590	37.2
70.06884	1.7
70.07276	3.0
71.01345	1.2
71.04979	4.1
71.06927	1.3
71.87923	1.1
72.08146	12.6
73.02910	1.6
74.06068	3.9
79.05474	2.5
81.03395	3.8
81.07041	2.9
83.04955	2.1
83.06084	2.1
84.04498	7.2
84.08134	20.1
85.02902	21.1
85.08458	1.3
85.11720	1.2
86.06075	1.9
86.09699	16.9
87.00815	7.5
87.10031	2.0
88.03990	2.1
91.05483	7.1
92.31287	1.3
93.07021	2.1
95.04937	2.8
95.06148	1.3
97.02875	9.8
98.20682	1.5
98.97559	2.4
99.04436	2.8
101.07128	2.0
102.05514	2.0
103.05451	6.6
104.04976	3.0
105.01846	8.8
107.04932	3.3
109.02881	8.3
109.10143	1.6
110.06013	1.7
110.07159	11.2
111.07468	1.6
112.08641	1.5
113.02389	2.0
115.07554	2.0
116.07093	3.9
118.06499	3.6
119.04947	6.3
120.08092	6.8
125.00006	2.2
126.09187	1.8
126.10111	1.4
127.03928	14.5
129.10237	9.0
131.04910	11.8
132.04445	100.0
135.08022	1.7
136.06142	7.5
136.07607	4.3
141.10184	1.7
145.04936	3.8
146.05943	2.0
147.04408	10.4
148.04721	1.5
150.05450	7.8
152.07088	1.5
156.07613	1.8
159.02771	1.5
160.07565	3.1
162.07712	10.9
163.03911	2.4
163.07535	4.9
176.06953	1.3
182.07971	1.3
184.07349	7.8
188.05641	11.0
188.07057	2.8
206.06590	8.5
206.08377	2.2
220.08304	2.0
231.04901	1.3
262.89481	2.3
266.08810	40.8
267.09412	1.5
286.89359	2.5
287.89145	1.5
350.94815	3.2
359.17535	1.6
361.02283	3.1
392.95734	3.3
398.13226	8.7
398.22650	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	397.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	3.0
53.03947	16.2
55.01857	11.7
55.05512	17.1
56.05034	2.8
57.03412	6.3
61.02894	3.0
65.03926	4.5
67.05492	25.5
68.67583	2.5
69.03428	30.9
69.07057	17.7
70.06582	16.3
71.04986	19.6
71.61021	4.9
72.08134	6.8
74.17612	2.3
79.05481	35.1
81.03413	79.0
81.07050	56.4
83.04977	38.3
83.08610	8.3
84.04483	3.3
84.08133	11.2
85.02903	14.5
85.06545	12.2
86.09686	10.6
87.04487	2.6
90.94802	3.1
91.05473	33.4
93.07034	75.5
95.04965	36.8
95.08604	38.8
97.02878	13.3
97.06522	43.7
99.04449	24.9
103.05441	4.5
105.03307	2.6
105.07024	55.2
105.07697	1.8
107.04961	9.9
107.08586	41.4
109.02872	100.0
109.06516	38.1
109.10150	9.4
110.07091	4.0
111.04411	11.0
111.08076	27.6
113.06014	4.0
117.06994	7.6
119.04919	8.5
119.08569	32.5
121.06500	55.5
121.10137	14.5
122.03651	5.3
123.04424	8.5
123.08050	7.0
123.11687	8.5
125.02368	3.9
125.05998	23.3
127.03908	32.2
127.07584	12.7
128.06165	4.7
129.06989	9.3
129.10165	2.6
131.08546	11.4
133.06499	5.3
133.10107	27.3
135.04405	6.3
135.08035	17.0
136.07607	4.3
137.05963	61.1
137.09601	4.5
139.07539	22.4
141.05421	3.1
141.06969	6.2
142.07759	9.1
143.07027	19.4
143.08511	10.4
145.06436	5.4
145.10138	17.6
147.04408	3.5
147.08040	11.4
147.11679	58.3
149.05992	3.8
149.09633	5.8
149.13210	5.8
151.07513	13.0
151.11180	6.4
153.01768	3.7
153.09076	3.4
155.08525	5.7
156.09258	3.2
157.06418	4.5
157.08804	4.5
157.10112	20.6
158.07265	4.0
159.06561	5.8
159.08005	7.7
159.11584	3.5
161.05975	7.3
161.09586	7.7
161.13248	9.8
163.03946	2.9
163.07520	4.2
163.11128	5.7
165.06992	5.2
165.12737	21.0
169.06497	3.8
169.08624	3.5
169.12199	13.9
171.11690	13.1
172.08766	3.9
173.09639	11.2
173.13147	2.7
175.07501	6.4
175.11162	39.4
181.10127	5.0
182.07140	4.7
183.07956	3.4
184.08789	3.6
185.09541	7.1
187.07491	3.7
187.11169	7.4
189.09085	4.7
189.12698	28.2
191.07011	5.3
193.12218	47.1
197.09593	7.1
198.06720	9.0
199.07492	7.5
199.11124	21.6
201.09154	3.1
205.08714	3.3
205.12111	3.2
207.13788	20.2
209.11681	3.4
211.13312	33.8
212.08252	2.9
213.09073	11.0
215.10689	9.2
217.08690	4.4
217.12209	76.6
217.15622	4.6
225.09074	9.9
227.12733	4.3
229.14320	4.5
233.11655	5.6
234.98952	6.9
235.13272	60.3
243.10152	9.9
251.12747	4.0
253.14307	31.3
255.10072	4.4
273.11264	38.2
277.08304	3.3
289.12143	3.3
291.10089	4.5
292.07535	3.5
293.11472	3.3
301.14301	3.3
307.09512	8.3
307.12860	3.2
308.10400	4.6
317.11615	3.3
319.09412	2.8
343.15549	4.4
349.14359	5.4
350.94543	5.2
351.08456	3.2
351.12427	6.3
352.12012	3.2
354.14520	10.3
361.16412	7.4
365.14154	3.2
379.08151	3.2
379.16901	9.3
390.94965	2.7
397.08786	4.7
397.17493	47.6
409.20297	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	397.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95575	2.9
52.12769	2.8
55.01874	3.3
55.05506	8.4
56.05025	7.9
56.96561	8.2
57.03436	4.8
57.66040	3.1
58.06572	3.6
60.04519	4.5
67.05499	6.2
69.03423	17.9
69.07066	5.0
70.06588	100.0
71.04415	4.1
71.05005	16.3
72.08156	18.8
72.93774	3.2
73.02915	4.0
73.06557	8.7
74.06094	4.8
79.05494	7.2
81.03418	11.1
81.07083	14.2
84.04495	13.3
84.08138	28.9
85.02897	34.4
85.06536	5.2
86.09699	25.4
91.05482	8.8
93.07053	7.2
95.04966	2.9
95.06078	8.2
95.08622	4.6
96.97537	2.9
97.02868	14.5
97.06488	6.1
98.53181	3.0
98.97594	3.6
99.04443	9.6
102.05579	3.6
103.03940	24.3
105.07039	5.2
107.04884	4.7
107.08576	12.4
109.02872	13.4
110.07167	12.1
111.04425	3.4
115.08620	2.9
116.07111	12.8
116.98635	5.3
117.03396	3.7
119.04938	3.9
119.08538	3.6
120.08112	7.5
121.06480	4.0
121.10138	6.3
123.04476	3.3
127.03924	34.2
129.10243	10.8
132.04503	3.4
133.06525	4.2
134.99696	4.5
135.04428	3.3
136.07547	4.3
137.05984	4.7
141.10168	4.4
145.02902	4.5
145.04959	11.0
147.04408	14.3
149.09628	6.1
162.07712	5.1
163.03926	6.8
163.05988	8.6
167.10693	4.3
168.06575	3.1
177.00723	3.7
177.05475	8.1
187.06067	3.8
188.05634	3.6
189.06581	8.0
199.17014	8.9
207.07697	8.5
213.12373	18.3
225.16130	6.0
234.96881	6.3
234.98976	6.9
252.97897	8.5
259.11780	5.0
266.08752	7.2
286.89508	4.0
350.94589	7.9
363.20197	5.7
379.01175	5.1
397.14322	17.6
397.20752	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	397.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05264	0.8
53.03940	1.0
53.40217	0.8
55.05507	2.5
55.85210	0.7
55.92025	0.7
55.93523	9.2
56.94302	2.2
56.96558	2.2
57.03439	1.4
61.02922	1.8
64.72678	0.8
67.05502	8.5
69.03435	2.0
69.07058	3.3
70.57605	3.1
70.95857	3.1
71.04984	1.4
71.92999	2.9
72.08134	1.2
72.93781	13.2
79.05488	6.5
81.03400	3.6
81.07055	8.1
83.08601	1.1
85.02911	1.4
88.96891	2.9
90.94823	9.7
91.05467	5.7
93.07022	5.4
95.04961	2.0
95.08610	3.3
97.02872	1.5
97.06526	5.6
105.07026	3.2
107.08602	2.4
107.95072	1.1
108.95856	3.8
109.06428	1.2
109.10151	3.1
113.96391	1.3
116.96408	1.5
117.07006	1.9
119.08567	2.2
120.33434	0.8
121.06491	0.8
121.10155	1.3
123.11685	1.2
125.09634	0.8
128.02798	0.9
128.96344	3.0
129.07048	0.9
130.97966	1.2
131.08585	0.9
131.98689	1.7
132.95848	0.9
133.10132	1.6
134.97435	1.5
136.95345	1.4
137.05989	1.4
138.98364	1.6
139.99248	0.9
142.97990	1.4
144.95845	1.9
144.99515	1.5
146.97395	2.6
147.08025	0.8
148.98961	2.7
150.96854	1.5
150.98402	1.2
151.02019	1.3
151.97694	2.0
154.97884	1.1
155.98697	1.2
156.99553	1.2
157.10236	0.9
158.97414	1.6
160.98991	0.8
162.41693	0.8
162.96933	1.9
164.98749	1.1
164.99934	3.9
165.03622	1.1
165.97121	1.8
166.97881	2.0
169.10039	1.1
171.00996	1.1
172.98940	2.3
178.97888	2.1
179.01483	1.1
180.99429	1.2
183.98166	2.8
184.98985	1.2
185.96198	1.6
186.01288	4.0
190.99962	1.1
192.99512	2.1
193.12369	0.9
195.01108	1.4
199.00452	1.9
199.02081	2.9
201.03629	9.9
203.05307	1.5
213.03668	1.1
227.03516	1.2
229.05225	2.0
243.03093	2.1
245.04684	13.7
259.06479	1.0
262.89487	5.0
263.05667	2.1
265.04980	0.9
267.06665	4.9
268.06534	1.1
269.12418	1.6
271.06226	2.4
279.06665	4.0
281.08322	100.0
282.08728	3.5
283.06308	1.3
284.06918	2.7
285.07764	3.9
286.89441	3.6
299.09399	34.6
300.09753	1.0
308.93619	1.6
321.11304	4.5
322.10974	12.9
329.12057	1.9
347.13092	11.7
350.94653	7.2
351.94595	0.9
365.14063	2.2
379.15570	2.9
388.15384	1.0
392.95499	1.8
397.16885	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	397.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	24.9
60.04514	2.8
64.35789	1.6
69.03432	3.3
70.06586	34.4
71.58928	1.9
71.59328	2.8
72.50611	1.8
81.03419	2.5
83.06097	2.1
84.04495	2.9
84.08153	10.8
84.96034	5.8
85.02901	6.1
86.09711	3.3
97.02869	3.8
98.97578	39.7
108.17413	1.7
110.07153	42.7
110.07862	3.2
110.44670	1.9
110.97570	8.5
112.26871	1.9
112.99119	47.5
116.98618	26.8
120.02811	1.8
128.98593	14.6
129.10249	5.8
131.00160	100.0
134.99648	11.1
136.07571	3.6
138.22900	1.9
140.98532	1.9
143.00203	4.5
145.01747	3.0
146.99648	12.9
149.01201	71.0
152.98630	3.0
156.07680	2.6
157.09706	2.4
158.99634	8.3
161.01242	7.1
162.10294	4.4
162.99170	2.4
163.02773	3.7
166.06003	2.7
167.02309	4.3
170.99635	5.0
172.02951	2.0
173.01202	25.5
175.02766	8.2
177.00725	12.9
179.02353	2.3
187.00327	3.1
189.00694	4.8
191.02260	29.5
193.03799	15.0
201.00702	4.9
205.01347	2.5
205.60678	1.9
207.12498	2.7
209.01326	3.5
211.04793	13.0
213.12399	6.1
213.89316	2.1
219.01747	38.2
223.15552	2.8
227.02518	2.5
233.03288	12.3
235.11862	85.2
237.02798	76.8
247.04828	2.8
255.03783	9.4
259.04950	3.3
260.04514	3.1
263.04340	9.9
275.04385	10.9
277.05966	5.2
281.05453	17.1
289.05893	2.9
293.05472	13.1
299.06247	1.9
307.06955	2.5
319.06985	5.1
337.08047	95.0
355.09073	95.5
356.09561	2.2
382.94894	2.2
397.10403	19.9
397.16544	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	397.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.4
55.93519	8.5
56.94304	2.7
56.96551	1.9
61.02928	1.5
67.05499	10.2
69.03415	2.8
69.07047	4.2
69.94354	8.2
70.06580	2.1
70.80260	1.2
70.95853	3.9
71.04975	3.3
71.08662	1.1
71.92994	2.1
72.93777	18.1
77.52731	1.3
79.05482	6.0
81.03400	4.8
81.07066	9.4
81.66671	1.4
83.08617	1.8
87.04448	1.4
88.96890	3.5
90.94834	10.7
91.05461	5.9
93.07038	4.4
95.04993	3.0
95.08582	2.6
97.06551	6.8
97.10142	1.5
104.07014	1.4
104.96407	1.6
105.07009	4.3
107.04993	1.4
107.08580	3.2
108.95863	6.1
109.06534	1.2
109.10133	4.1
116.96385	1.8
117.06983	1.7
119.08557	3.8
121.10119	1.9
125.09646	1.8
126.98417	1.8
131.08539	1.8
131.97484	2.1
133.10095	1.8
135.11664	1.4
136.95294	2.1
137.05876	1.6
138.98392	1.9
142.97908	1.5
144.99472	2.4
145.10132	2.3
146.97386	1.9
148.98924	2.2
150.96840	1.4
151.02034	2.3
151.97618	1.7
154.97832	1.5
156.99463	2.3
157.10086	2.4
164.99950	5.4
165.03595	1.9
165.97174	1.6
166.97864	2.4
172.98976	2.8
175.02007	1.7
178.97914	3.2
183.98163	2.4
184.99007	1.7
186.01305	6.4
190.99905	1.9
192.99556	1.9
196.99005	1.9
199.02080	2.0
200.02812	1.8
201.03592	11.4
204.13757	2.3
210.03558	1.5
220.98958	1.3
229.05267	2.9
249.05716	1.7
262.89420	5.7
266.05920	2.0
267.06689	10.3
271.06345	3.7
273.14377	1.8
279.06760	3.0
281.08325	100.0
282.08652	3.2
284.06982	3.5
285.07867	9.6
286.89526	7.4
299.09384	59.6
304.90448	2.7
308.93542	2.2
322.11014	17.0
347.13004	9.4
350.94690	11.1
351.94720	1.6
365.14081	2.3
379.15540	2.4
381.86658	1.6
392.95389	2.1
397.16464	2.0
397.27475	3.9
417.27719	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	396.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11337	0.5
53.03939	0.7
55.05497	2.2
56.05025	0.8
57.59182	0.6
60.04513	0.8
63.55475	0.6
67.05489	2.6
69.03424	1.9
69.07052	1.9
69.51931	4.3
69.52344	1.1
70.06585	7.6
70.07388	0.7
71.04977	1.0
71.06896	0.6
72.08159	3.3
79.05471	1.0
81.03412	1.8
81.07049	2.8
82.53680	0.6
83.04968	1.3
83.06107	0.9
84.04479	1.3
84.08130	4.7
85.02903	1.9
85.06539	3.0
86.06062	23.9
86.09683	4.3
91.05453	1.2
93.07021	2.0
94.07355	0.6
95.04939	1.5
95.08590	1.8
97.02876	1.1
97.06535	1.3
99.08100	0.7
105.07030	2.6
107.08592	1.8
108.04223	1.9
109.02863	1.1
109.06516	0.8
109.10133	1.0
110.07165	3.7
110.10485	1.2
111.08094	0.8
117.07035	0.6
119.04924	0.8
119.08553	0.8
120.08090	2.2
121.10111	1.6
122.10470	0.7
123.08047	0.9
125.09588	1.2
129.10239	1.9
135.11748	1.0
136.06151	4.9
136.07573	4.1
137.09531	0.6
139.11191	1.4
144.08061	2.1
147.11589	1.0
151.03648	14.2
152.05696	0.7
153.05199	1.0
153.13960	0.7
156.08124	0.7
158.09616	1.0
164.07094	1.9
164.10645	0.8
169.04718	0.7
174.89761	0.7
179.07008	0.8
181.12276	0.9
183.09921	18.5
183.11542	1.1
190.10892	1.0
199.13286	1.1
202.15892	16.1
203.16232	0.8
220.16904	4.1
221.01846	2.9
222.11020	2.7
225.10921	0.9
236.08958	0.8
266.13641	1.2
273.48764	0.8
302.17474	0.6
303.45081	0.7
311.14563	2.2
334.19931	0.7
350.94547	0.8
361.02341	0.8
378.18576	1.8
396.19907	100.0
397.14737	2.5
397.20230	2.5
415.11127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11337	0.5
53.03939	0.7
55.05497	2.2
56.05025	0.8
57.59182	0.6
60.04513	0.8
63.55475	0.6
67.05489	2.6
69.03424	1.9
69.07052	1.9
69.51931	4.3
69.52344	1.1
70.06585	7.6
70.07388	0.7
71.04977	1.0
71.06896	0.6
72.08159	3.3
79.05471	1.0
81.03412	1.8
81.07049	2.8
82.53680	0.6
83.04968	1.3
83.06107	0.9
84.04479	1.3
84.08130	4.7
85.02903	1.9
85.06539	3.0
86.06062	23.9
86.09683	4.3
91.05453	1.2
93.07021	2.0
94.07355	0.6
95.04939	1.5
95.08590	1.8
97.02876	1.1
97.06535	1.3
99.08100	0.7
105.07030	2.6
107.08592	1.8
108.04223	1.9
109.02863	1.1
109.06516	0.8
109.10133	1.0
110.07165	3.7
110.10485	1.2
111.08094	0.8
117.07035	0.6
119.04924	0.8
119.08553	0.8
120.08090	2.2
121.10111	1.6
122.10470	0.7
123.08047	0.9
125.09588	1.2
129.10239	1.9
135.11748	1.0
136.06151	4.9
136.07573	4.1
137.09531	0.6
139.11191	1.4
144.08061	2.1
147.11589	1.0
151.03648	14.2
152.05696	0.7
153.05199	1.0
153.13960	0.7
156.08124	0.7
158.09616	1.0
164.07094	1.9
164.10645	0.8
169.04718	0.7
174.89761	0.7
179.07008	0.8
181.12276	0.9
183.09921	18.5
183.11542	1.1
190.10892	1.0
199.13286	1.1
202.15892	16.1
203.16232	0.8
220.16904	4.1
221.01846	2.9
222.11020	2.7
225.10921	0.9
236.08958	0.8
266.13641	1.2
273.48764	0.8
302.17474	0.6
303.45081	0.7
311.14563	2.2
334.19931	0.7
350.94547	0.8
361.02341	0.8
378.18576	1.8
396.19907	100.0
397.14737	2.5
397.20230	2.5
415.11127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01864	7.0
55.05511	13.2
56.96547	5.5
57.03429	8.4
57.07069	4.3
67.05502	18.4
69.03429	9.8
69.07066	16.6
69.60425	1.8
70.06585	11.5
70.45056	1.7
70.62157	4.0
71.04984	6.3
72.08138	1.8
79.05486	12.2
81.03400	2.9
81.07052	100.0
83.04973	6.7
83.08599	7.1
84.08114	3.9
84.96039	2.3
85.02908	3.4
85.06536	67.4
86.06075	10.7
86.09687	5.8
91.05477	20.9
93.06465	3.6
93.07041	74.0
93.33878	2.4
95.04956	8.2
95.08607	31.5
97.06509	10.3
98.97569	10.9
99.08083	31.1
101.05988	3.8
102.20841	1.8
105.07031	12.4
107.08576	18.9
109.02872	2.7
109.06492	9.7
109.10149	26.8
111.04424	1.9
111.08081	38.3
113.05971	3.9
113.09621	3.4
115.07605	2.6
116.98616	6.7
119.08582	10.2
120.08119	2.9
121.10130	24.6
123.08050	8.1
123.11686	21.5
125.09628	16.6
127.07536	19.2
128.98628	2.8
129.09099	33.5
129.10052	1.9
131.08592	4.5
133.10103	5.8
135.11668	7.5
136.07530	4.0
137.09578	4.2
137.13229	3.1
139.11160	18.7
141.12643	2.8
145.10094	4.4
147.11661	7.7
149.09618	3.1
149.13193	4.6
151.03647	5.3
151.11148	4.3
153.12738	3.6
157.10121	3.3
157.12215	6.2
159.11679	3.9
159.52402	1.8
161.01195	2.1
161.13295	4.9
163.11221	1.9
164.96638	1.8
165.12733	22.1
167.10619	8.7
169.12198	5.7
170.25398	1.8
171.11703	3.0
177.00676	3.6
177.16400	3.6
181.12260	3.0
183.03281	2.1
183.09895	6.2
185.11685	2.9
187.14729	2.9
190.10738	1.9
195.17448	18.7
205.15791	2.8
207.03317	2.4
213.16376	2.7
219.01680	3.5
219.17433	3.4
222.10854	2.6
223.16890	9.4
225.04485	2.8
231.17397	3.4
237.02768	6.9
237.18442	11.4
241.17873	4.3
249.18478	25.5
255.19563	3.5
267.19531	32.3
272.09030	2.4
276.85480	1.8
285.20578	26.5
305.24698	8.6
309.06360	4.9
323.25732	5.1
327.07495	23.6
377.28769	2.8
395.21606	2.7
396.19992	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	395.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.4
55.05511	41.5
56.96550	8.8
57.03403	5.0
58.03498	4.4
67.05493	50.6
69.07059	20.6
69.86634	4.5
71.04984	24.7
71.17944	4.2
71.18289	12.3
75.08022	3.9
77.76650	4.1
79.05123	4.6
79.05491	55.3
81.03403	7.3
81.07055	45.6
83.04980	62.9
83.08618	8.3
85.06528	5.4
89.77747	4.4
91.05474	57.9
93.07039	74.2
95.04919	13.2
95.08595	37.4
97.06498	6.9
101.06013	100.0
105.07025	64.6
107.08570	45.7
109.06475	5.5
109.10147	13.8
117.06997	14.1
119.08572	63.1
121.10121	33.0
121.69800	4.2
123.08017	7.3
129.06993	11.5
131.08548	24.8
133.10136	51.2
135.11681	41.5
143.08549	10.4
145.10103	21.8
147.11665	46.8
149.13220	16.5
157.10059	11.8
159.11708	20.4
161.13264	33.6
163.11263	5.0
163.14795	5.9
171.11606	11.9
173.13280	14.6
175.14807	15.1
185.13216	11.5
199.14891	5.9
229.15051	5.5
241.19357	27.3
259.20584	89.5
261.22122	6.0
277.21582	54.4
293.17834	4.8
345.70871	4.3
377.26855	9.0
395.28177	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	395.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55000	14.2
56.96555	62.8
71.59090	21.3
72.08120	15.4
72.17066	14.2
73.36105	13.8
85.19609	17.2
90.33356	14.8
96.88745	15.5
98.97562	46.6
101.00825	23.5
102.78008	15.6
116.98576	19.8
119.01916	74.1
131.00163	27.0
131.01886	55.3
133.03465	28.0
137.02899	26.4
145.03465	88.5
157.03442	17.4
159.05014	32.7
161.02945	38.0
163.04524	19.7
169.03477	28.4
171.04990	22.2
173.02985	43.3
187.04474	100.0
189.02380	21.2
195.07086	20.4
199.04497	37.8
231.03636	31.2
233.15036	22.7
239.02248	29.4
239.06230	20.0
257.03253	24.5
275.02536	53.6
287.02341	45.3
287.35760	15.0
289.07718	34.0
293.03497	43.9
377.05618	18.4
395.03540	32.0
414.07870	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	394.1972
Annotation	Leu-Phe-Asp
Peak:m/z	Relative Intensity
55.05497	0.9
56.05022	0.5
60.04515	0.5
62.58759	0.4
65.03923	0.6
67.05492	0.6
68.86659	0.4
69.03417	0.5
69.07046	0.7
70.02955	1.9
70.06587	17.5
71.06896	0.5
71.13377	1.1
72.08140	1.7
73.58011	0.4
74.06042	0.4
79.05484	1.1
81.03412	0.8
81.07040	0.9
84.04503	1.7
84.08134	2.1
85.02891	1.0
86.09699	16.6
87.05597	0.7
88.03989	7.9
91.05475	11.3
91.06009	0.9
93.07029	1.8
95.08621	0.6
97.02868	1.1
98.02408	2.5
98.09670	0.6
103.05458	4.7
105.07001	1.9
107.04935	0.6
109.02887	0.7
110.07159	0.9
115.08685	0.9
115.85339	0.4
116.07088	2.0
119.04994	0.6
119.07323	3.0
120.08097	100.0
121.08418	1.4
127.03903	0.5
128.10683	0.4
129.10234	1.0
130.06516	30.5
132.08063	0.7
132.10205	6.5
136.07535	1.3
137.05980	0.6
141.98895	0.5
142.64526	0.4
144.08073	7.5
145.46887	0.5
147.04378	0.6
147.09184	1.1
150.08640	0.4
153.06598	0.6
154.92691	0.5
158.05963	1.0
159.09190	1.7
166.07240	1.9
167.05739	0.4
167.06996	2.3
172.07568	8.1
173.07761	0.4
173.12865	0.9
175.08664	20.4
176.07054	1.9
179.08406	0.8
182.06119	0.5
189.10242	0.5
190.08615	9.9
198.08775	0.5
200.07056	1.4
213.12358	1.3
217.09695	5.9
218.08092	2.7
235.10754	88.2
236.11067	2.5
241.04279	0.5
245.09244	1.7
262.12073	0.6
262.22021	0.4
263.10260	12.4
269.05472	0.4
279.16980	2.9
287.05490	1.1
290.14044	0.8
308.14676	0.6
359.15964	0.6
371.06711	0.5
376.18472	0.5
389.18317	1.0
394.11856	2.2
394.18198	0.5
394.20911	0.6
394.34674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46540	1.0
55.01864	7.6
56.05028	3.8
56.96550	5.3
57.03423	1.2
58.99581	19.0
60.04503	1.4
61.01143	2.6
62.99072	9.0
67.05486	4.5
69.03424	1.5
69.07063	81.4
70.06585	7.2
71.04960	1.2
71.28960	1.3
71.29297	1.9
72.08129	2.2
73.01135	2.3
74.00652	11.2
74.06063	1.3
74.97607	1.0
76.02223	4.8
76.03986	5.5
76.04946	1.1
81.03418	1.5
82.06586	1.0
83.06094	5.2
84.04497	48.9
84.08138	3.4
85.01134	1.2
85.02898	2.4
85.04009	1.7
86.09716	2.3
86.99049	11.7
87.08079	1.7
87.13470	1.0
88.02196	9.1
91.05454	3.3
93.07036	4.0
97.02897	1.1
98.97577	1.7
99.02672	1.1
99.05570	3.2
101.04232	12.7
102.05514	1.8
112.03957	8.8
115.05786	1.8
116.01667	65.8
116.98614	2.0
117.03711	12.3
119.05295	18.9
120.08110	2.9
121.02872	1.5
127.05814	9.2
129.06581	12.2
129.10249	1.4
130.04991	35.2
131.04514	1.6
134.99562	2.2
142.03249	3.0
144.01132	26.7
144.08408	2.8
145.06841	38.0
147.04424	5.8
153.06584	1.4
162.02187	100.0
162.09467	8.9
173.06224	1.6
174.02118	1.4
177.03253	2.4
181.06094	1.8
191.07364	2.9
213.04332	3.1
230.08441	31.1
239.02176	5.4
247.11089	4.1
248.09499	84.5
250.04582	1.1
257.03360	4.3
265.12158	30.5
288.02484	1.3
301.12134	1.5
308.05017	2.2
319.13205	28.5
319.71582	1.3
331.13144	1.4
367.03458	1.1
376.14993	1.6
394.16449	6.6
394.34427	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	393.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	7.9
55.01868	11.4
55.05509	25.0
56.05038	8.7
56.96567	12.3
57.03434	12.6
57.07061	5.9
65.03926	4.7
67.05509	25.4
68.05035	6.1
69.03428	19.5
69.07069	40.0
69.83507	26.3
70.06598	18.0
71.01305	5.2
71.04993	14.0
72.08138	11.6
74.06078	11.3
79.05492	23.8
81.03415	15.0
81.07053	100.0
83.04974	12.9
83.08633	15.2
84.04533	7.8
84.08168	9.6
85.02900	13.5
85.06544	32.3
86.09698	34.3
91.05453	29.0
93.07042	89.4
95.04950	24.4
95.08611	53.0
96.16476	4.2
97.02886	13.3
97.06561	22.2
97.10165	15.3
98.20757	8.7
98.97569	7.2
99.04487	7.7
99.08085	28.1
100.83725	4.0
101.07158	8.3
105.07025	34.5
107.08595	34.4
109.02867	12.1
109.06507	13.4
109.10156	29.1
110.07166	7.2
111.04497	5.3
111.08060	32.9
111.11739	7.3
113.09668	4.5
115.05466	5.3
116.98656	6.1
117.06969	7.2
119.08582	26.9
120.08112	57.3
121.06509	11.6
121.10133	26.6
123.08100	13.7
123.11732	27.5
124.07623	7.1
125.06014	5.7
125.09630	5.5
128.06158	4.8
129.06998	6.5
129.09125	21.2
129.10101	8.1
131.04977	4.4
131.08601	8.4
133.10143	14.4
134.99643	5.6
135.08034	11.2
135.11720	15.0
136.07571	5.4
137.06026	13.7
137.09637	7.3
139.11208	9.5
142.12260	5.9
143.08556	8.5
145.10118	14.8
147.04456	6.8
147.08069	4.6
147.11635	11.7
148.07486	5.2
149.09671	8.0
151.03874	5.9
151.07547	7.0
151.11139	4.4
152.05692	12.6
152.09180	8.1
153.12770	20.8
157.10162	11.2
157.12225	7.1
159.08051	7.0
159.11804	6.8
161.09625	7.6
161.13321	7.5
163.11156	7.7
165.12799	5.7
171.09192	16.9
171.13829	6.8
173.09663	5.6
173.13228	8.5
175.11293	6.9
177.00758	6.2
180.10225	20.6
181.12247	7.2
183.17517	4.9
185.09511	6.0
186.07571	8.4
187.14433	46.5
199.11121	5.1
199.13177	10.7
215.14011	9.3
221.15367	6.1
234.07974	9.3
237.00771	10.5
239.16396	46.4
242.09293	14.1
251.16521	7.9
271.14432	10.2
303.23303	9.9
305.11682	6.7
321.24142	16.3
373.45178	5.2
393.11746	8.4
393.17999	10.2
393.22778	36.2
394.22260	5.2
408.84671	4.6
416.60843	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	393.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	18.3
54.03418	5.7
55.01873	13.9
55.05510	37.2
56.05028	10.6
56.96566	14.2
57.03436	10.9
61.01126	7.3
67.05505	38.2
69.03419	31.8
69.07066	40.5
69.53783	18.7
69.54202	31.7
70.06598	35.5
71.04982	15.1
72.08154	25.0
74.06071	10.7
79.05479	35.9
81.03413	20.2
81.07057	100.0
82.07384	7.1
83.04985	18.9
83.08627	24.1
84.04485	14.7
84.08150	31.4
85.02894	15.6
85.06541	32.2
86.09706	52.9
87.04482	10.0
91.05482	39.7
93.07047	94.0
95.04963	27.3
95.08611	64.2
96.08122	9.0
97.06539	26.2
97.10190	10.6
99.04463	8.5
99.08081	19.5
101.07175	16.6
105.07047	40.5
107.04940	12.0
107.08613	41.8
109.02870	12.6
109.06496	18.4
109.10139	32.9
111.08061	32.0
116.07110	7.5
116.98637	13.8
117.06988	8.9
119.04932	6.3
119.08570	37.5
120.08105	53.4
121.02878	9.4
121.06526	18.0
121.10125	43.7
123.08067	11.8
123.11698	22.9
124.07603	20.4
125.09631	10.0
127.03967	7.7
129.06979	12.0
129.09116	28.3
129.10112	6.8
131.04861	10.0
131.08574	13.1
133.10138	29.2
135.04391	7.6
135.08028	11.2
135.11699	21.9
137.05994	21.1
137.09554	10.6
139.11197	7.2
142.07753	11.0
142.12267	11.3
143.08522	10.4
145.06499	6.5
145.10124	23.9
147.08096	8.2
147.11685	19.6
148.07642	6.5
149.09674	11.6
151.03923	6.5
152.05724	11.1
152.09151	25.9
153.12764	15.3
157.10168	15.4
159.11757	14.4
161.13312	10.5
163.11212	10.0
171.09219	35.9
171.13728	8.2
173.09666	10.8
175.14838	14.0
177.05592	6.9
180.10217	22.7
186.07613	9.9
187.14481	38.4
203.14330	7.2
215.13969	8.8
237.00754	10.5
239.16443	43.1
242.09172	32.1
251.16255	8.0
275.28931	6.8
298.08926	6.8
303.23117	8.7
305.11887	7.9
321.24295	13.6
349.10663	9.5
393.23047	37.1
393.85156	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	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.3
55.01846	4.0
55.05518	20.3
56.42217	4.3
56.72856	4.5
57.07077	5.5
62.44001	3.7
67.05497	45.3
69.07055	30.2
69.34888	45.5
79.05495	47.8
81.07056	71.0
81.28755	3.8
83.04969	11.5
83.08596	12.6
85.06500	5.0
91.05479	62.9
93.07034	90.8
95.04955	62.4
95.08594	58.7
97.06564	6.1
98.98466	8.4
103.05468	6.8
105.07023	100.0
106.07327	5.1
107.08585	57.7
109.06514	15.7
109.10136	29.5
115.05453	4.0
117.07009	24.0
119.08575	99.2
121.06473	22.0
121.10137	45.7
123.08054	7.3
123.11678	13.9
128.06178	17.4
129.06978	23.1
130.07825	7.7
131.08562	47.1
133.06404	5.5
133.10112	53.4
135.08002	6.5
135.11684	17.4
137.09584	4.3
141.06998	10.1
142.07771	25.7
143.08546	31.5
144.09343	12.4
145.10114	75.8
147.08006	5.1
147.11671	27.3
149.09578	5.5
154.07726	5.5
155.00999	12.1
155.08505	12.7
156.09348	15.1
157.10129	60.4
158.10887	10.4
159.11682	48.9
161.09610	23.7
161.13214	6.2
165.06912	4.4
167.08565	9.4
168.09373	4.7
169.10147	32.8
170.10867	8.5
171.11621	27.5
172.12477	6.5
173.13220	28.3
175.11176	10.1
175.14827	13.5
179.08589	9.3
181.10077	15.2
183.11671	22.9
185.13281	11.5
187.11189	8.4
187.14757	8.4
193.10094	9.1
194.10909	6.3
195.11700	12.9
197.13228	16.0
199.14886	8.1
201.12866	5.7
201.16359	7.5
206.10938	4.1
209.13217	12.4
211.14708	9.6
213.16364	4.9
218.73865	4.0
221.13245	4.8
223.14725	8.6
225.16373	6.0
235.14700	5.5
237.16391	5.4
237.86105	4.4
239.17923	5.6
253.15836	8.2
253.19456	4.9
255.16998	4.0
265.19464	4.6
300.67648	4.1
304.42151	5.0
375.26593	6.2
393.27802	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	393.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32829	1.7
53.03932	8.6
55.01871	4.1
55.05510	11.2
56.05021	5.9
56.96555	8.3
57.03426	7.5
61.02916	2.6
67.05495	6.5
69.03424	37.5
69.07060	100.0
70.06586	24.3
70.75556	5.7
71.04982	10.8
72.08147	42.7
73.02911	3.7
74.06036	3.6
79.05483	6.0
81.03406	31.1
81.07043	7.1
83.04964	4.7
84.04485	5.9
84.08113	13.6
85.02899	62.8
85.06540	6.1
86.09695	21.6
87.00822	1.8
87.04455	2.8
87.08102	33.4
90.82832	1.6
91.05487	10.7
93.07030	5.5
93.80923	2.2
95.04956	4.6
95.08600	8.1
97.02885	54.5
97.06512	2.9
98.97570	2.9
99.04449	34.6
102.05534	3.8
103.03933	41.8
103.05434	2.1
105.03359	2.7
105.07024	5.5
107.04920	2.3
107.08556	4.8
109.02194	3.1
109.02876	27.4
109.10159	2.2
111.04427	2.5
111.08094	3.3
112.08742	2.0
115.07563	37.2
117.05473	1.8
117.06989	3.3
118.76566	1.9
119.04947	5.0
119.08601	2.9
120.08096	41.2
121.06515	2.2
121.10163	1.9
122.06007	1.8
123.08107	2.0
124.04005	2.4
127.03905	73.1
129.05525	2.6
129.07082	2.8
129.09154	3.9
129.10226	6.7
131.08588	3.5
133.10057	2.4
136.07565	2.4
137.05899	1.8
137.09526	1.8
143.11800	6.7
145.04961	17.5
145.10092	3.4
146.05969	2.3
146.99585	2.1
147.04402	11.4
155.10600	2.2
161.01237	2.4
163.06035	3.1
166.08607	13.2
169.71324	2.2
171.10023	3.2
171.11295	7.5
173.12926	5.4
177.00705	3.0
177.05551	2.5
177.10352	2.8
183.10052	3.6
187.06073	8.7
191.08159	3.6
195.10201	2.8
201.12340	3.7
207.61049	2.0
209.01042	2.3
213.11221	6.4
213.16763	2.5
219.01720	2.5
223.10794	8.6
228.13356	1.9
229.11911	3.4
231.12177	5.5
233.16508	4.7
239.02235	2.5
241.09805	2.7
253.06958	2.4
265.02316	4.2
271.08011	2.9
273.13217	15.8
301.14462	2.6
315.09641	3.1
345.56079	2.1
375.11862	8.6
375.18161	2.3
393.20630	2.1
417.76111	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	393.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
54.80455	0.7
55.01861	0.9
55.05505	1.9
56.05022	1.0
56.96559	0.7
57.03429	1.2
61.02906	1.3
63.17810	0.7
66.65135	0.7
67.05486	3.2
69.03416	2.7
69.07057	2.1
69.35126	4.9
69.35531	2.1
70.06582	5.7
70.13352	0.6
71.04964	2.2
72.08154	5.0
72.81271	0.7
79.05505	3.7
81.03416	3.5
81.07045	4.0
82.62917	0.7
83.04987	1.0
84.04486	0.8
84.08139	3.5
85.02907	3.7
85.06514	0.8
86.09695	2.5
87.00138	0.7
91.03965	1.0
91.05456	3.9
93.07033	3.3
95.04980	3.7
95.08583	3.2
97.02842	1.3
97.06509	2.3
99.04455	1.3
105.07021	8.2
107.04967	1.7
107.08570	2.6
109.02872	1.8
109.06533	1.4
109.10195	1.6
110.07123	0.7
111.04447	0.8
111.08055	1.1
116.98585	0.8
117.07014	1.0
119.01868	1.2
119.08571	3.3
120.08105	2.4
121.02856	1.1
121.06477	1.1
121.10128	2.6
123.08035	0.8
125.09653	0.8
127.03888	1.4
127.08667	1.0
129.07028	1.1
129.10245	1.2
131.04964	0.8
131.08537	1.8
133.10117	1.5
135.08003	1.1
136.07571	0.8
143.08571	1.5
145.06407	0.8
145.10091	2.0
147.04311	0.9
147.08032	0.9
147.09135	1.2
147.11736	1.2
149.09633	1.2
157.10054	1.2
159.11688	1.0
161.02950	1.2
161.09549	1.1
161.10732	1.7
163.11133	1.2
172.08667	2.2
173.07211	1.2
173.09470	0.9
175.08710	1.1
186.12402	2.0
187.07372	1.0
193.12202	1.1
199.08585	1.6
200.08183	1.1
202.09830	3.9
203.06915	1.6
216.07661	1.8
227.08153	1.0
228.07703	0.8
231.13800	1.1
237.00748	4.8
241.09526	0.8
243.08771	20.6
243.11157	0.7
244.09470	1.4
247.08165	0.8
255.01785	2.2
257.10333	1.2
258.07501	1.9
259.08005	1.0
260.08994	3.1
271.04337	1.3
273.09781	7.9
273.14548	0.9
295.16425	1.7
298.08249	0.8
303.00327	0.7
307.11438	3.8
325.11261	2.2
328.44345	0.7
331.11279	0.9
349.12555	38.0
350.12827	1.4
350.16971	1.0
360.14203	1.8
375.18146	0.8
378.11121	1.0
378.15338	10.0
393.11499	100.0
393.18613	73.3
394.11664	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	392.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.8
56.96561	14.4
71.60772	3.3
71.95242	2.2
77.48898	1.6
78.11324	1.9
79.05483	2.5
81.07056	1.9
88.53551	2.0
91.05457	2.7
93.07030	1.8
95.08610	2.8
104.62691	1.7
105.07002	3.3
107.08646	2.5
110.97609	2.3
128.98584	7.2
133.10144	2.4
143.00189	2.0
146.99637	9.9
148.00420	8.3
149.02338	2.9
150.02670	2.2
161.01222	3.9
171.03299	2.3
185.04810	2.3
189.04343	3.2
197.01294	3.7
197.04951	2.3
198.76183	1.9
201.00772	2.6
201.04480	1.7
203.05898	3.3
215.02264	7.3
216.06528	2.2
217.07486	6.0
227.05817	3.5
229.07520	5.6
231.09027	2.5
239.05922	4.3
240.06638	5.2
244.05957	1.6
247.08568	7.4
257.06845	15.0
258.07718	16.7
275.08002	5.7
276.08823	13.5
280.08374	1.9
281.09470	2.2
309.17346	4.1
313.13388	2.0
333.17233	10.9
351.18384	37.1
369.19455	100.0
370.19806	2.7
374.19934	3.9
387.20374	13.3
392.20950	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	392.2063
Annotation	Roquefortine D
Peak:m/z	Relative Intensity
53.54328	2.5
55.01857	15.3
55.05482	6.2
55.93824	2.4
56.96555	5.3
57.58344	2.4
65.03933	2.2
67.05500	16.7
69.03422	3.7
69.07052	23.2
70.06578	5.7
71.04973	2.5
71.60254	3.4
71.69754	2.5
74.41078	2.6
79.05487	14.2
81.03408	3.9
81.07040	20.9
83.04962	5.9
85.02893	4.2
85.06534	6.8
86.09679	3.0
91.05468	21.4
93.07029	20.4
95.04958	7.4
95.08578	16.6
97.06521	27.3
98.97523	3.8
99.04449	4.1
105.06994	16.8
107.04911	4.7
107.08586	40.2
109.06509	10.2
109.10116	3.4
111.08067	6.6
113.05965	4.9
117.06985	4.6
119.04916	8.1
119.08611	5.8
120.08105	44.2
121.06497	8.2
121.10118	9.5
122.05991	2.7
122.58540	2.8
123.04429	7.7
123.08073	8.8
125.05926	4.1
131.08525	3.5
133.06462	3.5
135.08090	3.1
135.11671	4.5
136.07567	60.5
145.10101	10.6
147.11676	6.2
149.02335	6.1
149.09601	5.8
150.02678	3.5
151.07562	5.5
159.11624	3.9
163.11118	20.5
165.05472	7.7
165.12729	5.2
166.08615	9.3
167.10680	13.3
169.08588	100.0
170.08949	2.9
173.09651	2.9
181.12206	15.0
182.08092	7.3
183.15448	2.8
185.11731	5.9
191.10638	9.0
209.11713	6.7
227.12759	59.0
300.19415	2.9
307.06039	4.1
310.18036	3.2
328.19025	16.3
346.20148	12.9
349.10983	4.4
392.17783	4.7
392.28571	8.0
393.18460	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	391.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03870	0.4
54.30748	0.4
55.05500	0.7
56.96551	1.8
57.03425	0.8
57.69421	0.4
60.57227	0.4
61.02915	1.2
65.25713	0.4
67.05503	3.2
69.03415	0.5
69.07063	1.2
69.62344	3.4
70.06558	0.4
77.27229	0.4
79.05485	1.2
81.03404	0.8
81.07051	2.2
83.08591	0.6
85.02890	1.9
86.09708	0.9
91.03952	0.7
91.05468	1.5
93.07019	1.2
95.04962	1.0
95.08591	1.0
95.85176	0.4
97.02876	0.9
97.06537	0.6
99.04443	0.5
105.07008	1.4
107.08556	0.8
107.78174	0.4
109.02908	0.6
109.10119	2.2
116.98616	0.4
119.08572	1.2
121.02884	0.6
121.10079	0.6
127.03895	0.8
131.08591	0.5
140.60956	0.4
145.10135	0.7
149.02313	4.4
167.03392	7.0
171.11513	0.5
173.11732	1.5
208.76434	0.4
217.54080	0.5
224.52248	0.5
229.14340	1.5
242.11603	0.6
245.07159	0.5
269.08127	2.4
269.12378	0.8
271.08566	0.6
285.09793	0.5
321.16669	1.7
335.20496	0.6
350.17322	0.8
368.18256	1.0
369.19443	0.6
391.24500	100.0
392.24948	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	1.3
57.99787	0.4
61.02905	0.5
67.05503	2.3
69.03397	0.7
69.07059	0.8
71.08595	0.7
73.02899	0.5
79.05488	1.3
81.03418	0.7
81.07056	2.8
85.02882	1.0
91.03904	0.6
91.05477	1.1
93.07025	1.2
94.93958	0.5
95.04946	0.6
95.08574	1.7
97.02839	1.0
98.20679	1.1
105.07015	0.6
107.08590	1.1
109.10147	1.3
119.08547	1.1
121.02857	0.5
121.10078	0.9
131.08611	0.7
133.10056	0.7
135.11653	0.5
145.10063	0.5
149.02295	2.5
173.13106	0.6
182.73901	0.5
183.11592	0.6
267.09030	1.7
285.10083	3.6
373.11697	0.5
391.24503	100.0
392.24957	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	391.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
53.39069	2.5
55.05509	13.5
56.41021	2.8
56.96554	2.6
57.07066	7.8
57.40098	2.5
61.02932	2.8
65.35580	2.8
67.05505	20.2
69.03414	6.5
69.07050	10.6
70.06612	2.7
71.08643	3.2
71.49907	6.3
79.05491	26.3
81.07050	34.2
83.04962	3.3
83.08606	6.4
85.06530	4.0
91.05477	37.8
93.07039	43.4
95.04965	38.4
95.08591	21.8
97.06523	6.8
105.07027	64.5
107.08589	24.1
109.06503	11.5
109.10136	10.5
115.05430	4.0
117.07018	15.2
119.08573	48.0
121.06502	12.5
121.10111	18.8
123.08059	6.2
123.11685	3.2
128.06206	9.4
129.06995	18.4
130.07777	6.1
131.08560	24.3
133.10159	17.9
135.08064	10.9
135.11638	3.8
141.06946	8.7
142.07764	16.2
143.08548	26.2
144.09332	4.6
145.06494	4.4
145.10124	48.4
147.08047	7.6
147.11682	8.5
149.02332	24.5
149.09599	4.0
154.07771	6.1
155.08543	15.3
156.09314	12.8
157.10133	28.9
158.10883	3.3
159.08006	7.5
159.11646	15.6
161.09631	8.0
161.13287	4.2
163.11258	2.8
165.06999	9.0
166.07841	3.4
167.03421	3.7
167.08556	8.6
168.09317	5.8
169.10114	22.2
170.10843	3.2
171.11671	21.0
173.09662	8.0
173.13223	10.0
175.11121	4.6
175.14764	3.6
177.05800	3.1
178.07759	3.9
179.08556	12.5
180.09258	6.0
181.10112	16.5
182.10881	6.4
183.11743	19.6
185.13213	6.7
187.11176	4.9
187.14833	3.5
191.08537	3.1
191.14330	3.9
192.09309	5.3
193.10101	12.2
194.10826	6.1
195.11681	12.7
196.12375	6.5
197.13252	14.3
199.11177	3.7
199.14867	4.7
201.12793	3.4
205.10056	4.7
206.10895	4.4
207.11641	13.7
208.12479	7.5
209.13275	20.0
211.11224	4.6
211.14760	7.6
213.12822	3.2
217.10158	2.9
218.10921	4.9
219.11740	7.9
220.12376	6.0
221.13280	13.1
223.14807	10.1
225.12775	3.2
227.14342	5.6
231.11656	5.8
233.13217	10.1
233.15347	5.3
234.13930	4.9
235.14851	13.0
237.12662	6.4
237.16380	4.8
239.14398	3.9
243.11525	3.2
245.13202	5.7
246.13991	4.7
247.14688	7.4
248.15570	3.5
249.12743	3.9
249.16353	12.6
251.14250	5.8
251.17810	3.5
258.14273	3.0
261.16251	3.6
262.13339	4.5
263.14474	3.3
263.17923	6.9
265.15781	3.5
265.19360	3.0
267.17432	6.6
269.18921	3.4
273.16440	3.7
275.17966	5.8
282.19785	5.0
291.17389	3.8
297.18628	6.2
307.20569	4.7
315.17239	3.3
319.43668	3.7
335.19952	7.6
355.24207	3.7
373.25284	19.6
376.23846	3.0
391.25995	100.0
391.36020	7.3
392.25778	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	391.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22908	1.4
52.14803	1.3
55.93514	2.6
56.05038	19.5
56.96567	1.8
57.03429	2.1
57.07069	2.2
58.06603	8.9
60.04526	3.5
69.03421	3.8
69.76594	7.8
70.06588	15.8
71.08627	1.9
72.08147	6.3
74.06079	79.5
81.03419	3.5
84.04504	17.4
84.08143	12.0
85.02908	1.8
86.06071	3.2
86.09702	63.6
87.05585	2.8
90.94827	1.8
91.05436	2.2
96.04488	1.5
98.09702	3.4
98.97602	2.2
100.34074	1.5
101.07137	27.1
102.05543	4.0
106.02930	5.7
107.03253	3.9
110.03230	2.0
110.07161	4.6
113.07141	1.5
116.98644	2.3
119.04897	1.7
124.03960	13.2
124.11291	2.1
125.04317	7.1
126.12793	2.9
127.03925	2.1
129.10252	3.5
134.99678	1.9
140.07060	1.6
142.12270	14.5
143.11778	7.8
147.04387	5.2
149.02341	20.0
157.07829	1.6
159.07651	13.4
164.02249	1.6
167.03372	2.5
169.06001	1.7
177.08714	49.5
177.10207	3.0
187.07138	5.0
187.14412	100.0
213.12369	3.4
215.13916	36.0
234.98981	1.6
244.09271	3.1
251.07626	3.2
268.08209	2.2
269.08496	6.1
272.15973	7.2
274.03662	1.7
276.07504	3.5
288.11813	2.7
290.16968	2.3
292.04886	4.0
309.61484	1.7
312.15475	2.3
316.18686	4.0
373.20764	13.9
391.11658	2.1
391.19495	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	390.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16131	1.9
56.33788	2.1
56.96290	4.6
56.96562	83.6
57.57776	2.2
58.81907	2.0
61.02910	2.5
62.29112	1.9
66.25446	2.0
67.05486	4.9
67.86132	2.1
69.03345	1.8
69.07063	2.2
70.82658	5.7
71.95251	6.7
72.02029	2.3
72.96040	3.6
73.02905	1.8
74.07510	2.2
74.97611	3.7
81.03414	3.1
81.07047	4.2
91.05493	4.1
93.07001	2.4
97.02869	2.6
98.97576	2.8
107.08543	2.7
110.97538	3.2
116.98558	3.3
123.01191	2.9
123.84007	2.1
128.98599	7.1
133.01721	4.0
137.02727	3.2
137.05978	2.9
141.02249	5.3
141.39171	2.0
145.01688	2.8
145.95522	2.3
146.99648	8.6
153.02222	2.4
155.03740	4.3
157.01662	2.5
167.03795	3.5
169.01712	2.2
171.03279	8.4
183.03270	3.1
184.00417	2.1
185.04800	11.6
187.02760	4.4
189.04343	15.5
195.06952	2.5
197.04881	4.1
199.06398	10.4
203.05901	23.1
207.07021	2.8
211.06433	3.8
213.07895	11.4
217.07466	24.0
221.06889	4.1
223.37866	2.1
225.07962	8.7
226.07806	2.0
227.05939	2.2
227.09547	5.3
229.07481	5.3
231.06870	5.0
231.09039	19.5
237.07999	3.8
239.05774	2.4
239.09557	8.5
241.07431	2.7
241.11060	2.5
243.09053	6.2
245.10611	7.8
249.08051	8.5
251.09525	7.8
253.07448	2.9
253.11246	2.5
255.09030	44.0
257.10620	5.1
267.09024	49.9
269.10544	78.3
273.10049	30.0
278.10629	5.0
279.08990	3.1
280.09747	4.1
285.10065	86.5
286.10187	2.6
287.11639	38.0
290.10541	6.0
292.12161	9.3
296.11710	2.9
303.11230	13.2
308.11563	6.8
331.15842	14.7
349.16833	48.7
367.17911	100.0
372.18439	6.0
385.18857	17.4
390.19205	11.3
390.23322	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
53.49765	1.8
55.01857	6.0
55.05507	10.9
56.05034	54.1
57.03418	4.5
57.04029	1.6
57.07052	2.1
58.06612	2.0
59.94861	1.7
60.04523	2.1
61.01147	5.7
63.34462	2.0
67.05501	16.1
68.05022	2.3
69.03418	4.1
69.07064	15.1
70.06593	6.2
70.93718	5.5
71.04979	6.2
72.08162	9.0
74.06078	90.2
79.05483	12.6
80.41270	1.8
81.03383	4.7
81.07055	32.3
83.04977	18.8
83.08610	4.0
84.04507	8.9
84.08144	11.9
85.02914	2.8
85.06545	5.3
86.09698	12.5
88.07615	4.9
91.05479	15.1
93.07037	44.1
94.07341	2.8
95.04969	16.0
95.08597	23.3
96.38654	2.0
97.02856	2.1
97.06524	21.7
98.06046	6.0
99.04454	5.7
100.07642	2.7
101.07137	1.9
102.05536	73.1
104.05313	14.3
104.07098	14.9
105.07024	27.2
107.04939	3.5
107.08598	27.9
108.08923	2.5
109.06513	13.8
109.10150	8.4
111.08073	19.9
113.06010	2.6
117.06988	4.2
119.04959	2.3
119.08566	13.6
120.06575	100.0
120.08033	20.8
120.08947	3.6
121.06490	21.0
121.10143	5.7
123.04417	2.2
123.08097	5.3
123.11699	7.4
125.06009	9.7
127.03902	2.1
127.07526	4.5
129.10294	2.7
130.04980	3.4
131.08499	3.4
132.10165	2.7
133.06511	3.7
133.10123	16.8
135.08072	8.2
135.11673	3.5
136.07567	5.2
137.05920	3.2
137.09654	2.8
139.07556	10.5
143.07077	8.1
143.08519	3.3
144.06546	19.9
144.10205	3.2
145.10139	6.9
147.08058	3.3
147.11678	27.8
149.07295	1.8
149.09601	3.6
149.13251	5.1
151.11224	6.5
156.09276	2.4
157.08714	2.9
157.10097	7.6
161.13123	3.8
163.11195	3.6
164.11546	4.1
165.12720	9.7
166.08630	3.1
167.14456	2.0
169.08633	4.2
169.12225	20.6
170.08856	3.8
171.11687	6.8
172.09833	1.9
175.11201	21.0
181.12312	1.9
189.12683	10.5
193.12227	21.7
198.11209	2.5
199.11177	7.0
207.13809	3.6
207.50003	1.7
211.13263	19.8
217.12233	24.9
227.12671	2.5
228.10248	3.4
228.12962	2.1
229.14346	8.5
235.13290	13.6
235.96895	2.3
253.14272	8.8
282.20798	2.0
290.17465	6.3
308.18500	12.4
310.20013	8.8
312.18057	4.3
318.16937	7.8
326.19577	5.3
328.30280	2.1
336.18008	14.8
336.25250	7.6
354.19159	46.3
354.26016	12.0
355.19684	2.2
372.20203	31.7
372.27365	4.2
390.20023	1.9
408.40814	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	390.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01866	2.6
55.05500	4.7
56.96553	6.0
57.03424	3.3
59.04998	1.6
60.56545	1.3
61.02910	5.4
61.37452	1.3
65.03947	1.6
67.05496	6.1
69.03423	4.2
69.07054	4.7
70.06577	5.5
71.04990	6.9
71.57740	1.4
71.61158	2.4
71.61501	1.7
72.08160	1.8
73.02893	2.0
76.37000	1.4
79.05489	16.8
80.05819	1.9
80.96944	1.3
81.03401	6.6
81.07056	10.2
83.08649	2.0
84.04454	2.0
84.08134	3.8
85.02901	4.8
85.06525	2.5
86.09686	5.2
91.05476	25.9
93.07036	28.2
95.04974	6.9
95.08582	4.0
97.02892	3.9
97.06502	6.3
98.97599	1.7
99.04449	3.3
103.05417	1.5
105.07027	46.3
107.04964	8.6
107.08598	32.5
109.06519	4.8
109.10132	2.6
116.98611	2.7
117.07005	5.9
119.04935	20.0
119.08568	12.1
119.15857	1.4
120.08078	2.6
121.06483	21.7
121.10143	14.0
123.04425	15.1
123.11752	2.6
130.07727	3.5
131.08583	3.2
133.10092	3.5
134.99666	2.4
135.08044	10.7
135.11679	7.0
136.07573	100.0
145.10121	37.7
146.99606	1.4
147.04399	5.0
147.11661	5.1
147.47858	1.6
149.01222	2.2
149.05927	2.9
149.09610	30.2
149.10742	2.9
158.99767	1.7
162.05481	3.2
163.11171	36.6
165.05481	21.7
173.09598	3.8
173.11864	1.6
177.00722	2.1
182.08118	23.1
191.10654	31.3
202.12241	1.5
216.10266	2.8
228.10339	1.7
231.09265	1.5
233.52003	1.4
241.42749	1.4
243.09047	7.5
245.13380	1.9
257.07159	1.8
261.10141	5.8
267.08978	3.5
267.15540	1.7
283.08664	1.9
285.09918	3.1
299.11630	2.0
301.09674	2.1
309.14594	2.5
321.04691	2.2
326.17474	20.4
331.91943	1.5
344.18539	37.6
348.33084	1.4
354.16885	2.2
372.17947	12.8
390.18829	5.6
390.22855	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	390.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19439	1.4
55.05511	2.8
56.11418	1.3
56.96561	60.1
57.07087	1.6
59.46380	1.4
61.02885	2.3
67.05485	5.5
68.01325	1.5
69.03430	2.3
69.07063	5.4
70.50700	3.1
70.51070	3.2
71.95248	5.1
73.02869	2.1
79.05483	3.1
81.07048	3.8
85.02866	2.1
91.03928	2.2
91.05463	4.5
93.07024	4.7
95.04980	1.9
95.08591	2.1
98.97558	2.1
105.07004	3.9
107.08588	3.0
109.10108	2.6
110.97556	2.0
116.00224	1.8
119.08604	2.3
121.10085	2.7
123.01218	1.5
124.47643	1.6
128.98601	4.5
133.01703	1.8
134.99666	2.8
141.02190	2.1
146.99632	4.6
152.01273	1.8
155.03812	4.2
157.01715	3.3
159.03307	2.3
169.01736	3.1
171.03297	4.5
173.04893	2.4
183.03302	2.4
185.04799	7.8
189.04385	8.5
197.04807	1.7
199.06393	9.1
203.05901	13.5
205.09021	2.0
211.06390	4.2
213.07930	12.4
216.38466	1.7
217.07419	15.6
221.06816	2.3
223.32545	1.5
225.07922	7.3
227.09515	3.8
229.07491	3.9
231.06917	2.3
231.09012	23.8
236.09528	2.0
237.08017	3.8
239.09587	8.4
241.07578	1.5
243.09047	7.1
245.10556	5.7
249.08029	4.4
250.11172	1.8
251.09398	12.6
255.08992	24.4
257.10623	4.6
267.09021	35.7
269.10535	100.0
273.10037	23.1
278.10608	4.4
280.09924	2.2
285.10065	59.9
286.10327	2.1
287.11627	49.3
290.10614	2.4
292.12164	16.7
296.11691	2.1
303.11108	7.0
307.15817	1.6
308.11636	6.3
310.13293	3.4
331.15884	9.6
349.16913	30.6
367.07504	1.7
367.17911	56.3
372.18628	3.6
372.28632	2.0
385.18994	9.5
390.19659	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	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
56.05035	2.0
56.96565	2.2
57.03433	2.4
65.16993	1.0
66.57264	1.0
69.03427	10.0
70.06577	3.7
70.94405	2.2
70.94779	2.0
71.04999	1.5
72.08144	2.4
74.06082	2.2
74.57872	1.0
78.03448	10.9
79.05512	1.3
80.05013	2.4
81.03416	17.4
84.04495	3.7
84.08141	5.5
85.02911	10.1
86.09699	6.9
87.04451	1.8
91.05431	1.6
96.04465	5.5
97.02892	4.6
99.04450	1.7
101.07124	1.7
102.05532	2.5
106.02908	55.6
109.02869	10.8
119.04935	1.5
124.03944	100.0
127.03893	7.4
129.10214	2.6
132.10197	1.4
134.99608	1.0
136.07544	1.1
147.04414	4.0
149.01241	1.2
187.14420	3.8
201.61772	1.1
232.06081	3.2
234.98827	1.2
250.07089	23.1
268.08151	53.8
269.08566	1.5
276.07339	2.0
314.77966	1.1
358.50113	1.3
390.13855	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	389.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.01871	0.9
55.05259	0.4
55.05508	5.2
55.93541	0.3
56.05029	2.9
56.96547	0.4
57.03431	1.1
60.04523	2.3
61.02895	0.3
65.03950	0.3
67.05505	2.3
68.05032	1.8
69.03416	1.4
69.07063	2.0
70.06588	24.7
71.04995	1.9
71.06937	0.4
71.07362	0.3
71.43690	0.6
72.08150	100.0
73.06559	0.5
74.06071	1.3
79.05474	2.8
80.05005	1.3
81.03417	1.9
81.07053	2.5
82.06583	0.7
83.04982	0.9
83.06097	0.4
83.08604	2.1
84.04489	1.9
84.08132	4.9
85.02888	1.7
85.06538	1.5
86.06059	0.7
86.09699	14.5
87.05579	0.9
87.10046	0.5
88.03989	1.0
88.07626	1.2
89.06058	0.5
91.05456	1.4
93.06521	0.3
93.07037	1.7
94.06577	0.6
94.46956	0.2
95.04967	0.9
95.08608	0.9
96.08092	1.3
97.02890	0.9
97.06531	1.1
97.10155	2.7
98.06061	0.3
98.09687	0.3
99.04459	0.3
101.07136	0.4
102.05546	0.4
103.05456	3.4
105.07021	0.9
105.10274	0.4
106.05006	0.3
107.04942	3.1
107.08595	1.5
108.08113	0.8
109.02885	1.0
109.06512	0.5
109.10184	0.5
110.07192	0.9
110.09674	9.9
111.04524	0.3
111.08058	0.6
112.07596	0.3
116.01565	0.2
119.08585	0.8
120.08108	1.5
121.06486	0.4
121.10176	0.4
123.08050	0.7
124.07588	0.3
124.11234	0.3
125.09611	2.2
126.09135	0.4
127.03921	2.2
127.12358	0.6
128.10710	7.3
129.06921	0.3
129.10220	1.9
130.06505	0.4
131.04924	5.8
131.08548	0.7
132.10205	0.9
133.02870	1.1
133.06117	0.9
135.08099	0.6
135.11691	0.3
136.07552	0.4
137.05951	0.6
141.09143	0.6
141.10205	0.3
143.11815	0.9
145.10123	0.5
146.11760	0.4
147.04401	0.4
147.11626	0.4
149.06062	0.5
149.09676	0.9
155.11873	0.3
158.99789	0.3
159.07817	0.4
159.09204	0.3
163.07512	3.1
163.11111	0.3
167.07124	0.5
167.10626	0.5
171.11342	0.8
173.12859	4.6
178.02664	0.6
181.04839	0.4
184.09679	0.3
189.09572	0.3
189.12451	3.2
191.07829	0.3
191.10739	0.8
192.13879	1.3
193.04950	4.1
193.12296	0.7
201.12343	3.3
209.11841	0.9
210.14891	0.5
219.13353	1.5
227.12801	1.1
230.14919	0.4
231.04977	0.4
232.17308	0.3
234.99078	0.5
236.16380	0.3
240.13536	0.4
244.09317	0.7
258.14426	0.7
262.17908	0.3
265.09561	0.3
266.17499	0.4
267.15897	0.5
276.15353	0.3
277.35394	0.3
280.19125	0.3
284.18539	2.3
293.09198	0.4
324.21802	0.5
328.21109	0.5
344.11160	0.3
345.15204	0.5
353.24579	1.0
354.22787	1.0
371.25638	2.3
372.23715	2.9
389.13507	2.4
389.17917	1.8
389.26471	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	389.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.6
56.05020	6.2
56.96561	5.5
60.04528	6.1
61.06939	3.6
67.05508	4.0
68.13506	3.8
69.07046	6.9
70.06583	43.6
70.16356	17.2
71.04984	4.1
72.08149	55.6
79.51906	3.4
81.03426	5.5
83.04942	3.7
83.06076	6.5
84.04494	35.2
84.08137	40.2
85.02894	11.5
85.03958	3.6
86.09702	100.0
88.03976	25.0
91.05445	7.2
97.02885	8.0
98.06024	3.5
102.05537	19.5
107.04969	6.2
110.02415	4.5
113.10764	6.3
115.08684	81.0
116.07114	6.0
119.04967	8.5
129.06561	7.7
129.10222	12.2
130.05002	4.9
132.10202	51.5
138.09091	5.0
141.06583	12.3
141.10228	16.4
143.08145	65.9
144.06520	6.6
147.04405	25.7
147.07634	5.2
156.10155	4.4
159.07687	8.2
162.07620	12.6
163.03758	5.0
166.08661	15.6
177.00684	4.0
183.11285	12.2
187.07100	10.0
187.10852	7.6
201.12315	38.6
211.10913	3.6
212.09152	16.0
213.15829	5.1
229.11754	16.4
243.13280	4.7
247.12865	95.0
258.10834	52.7
318.16574	4.5
389.13358	6.0
389.17819	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07640	0.8
53.03945	1.0
55.01859	0.9
55.05508	5.3
56.05034	2.0
56.90705	0.8
57.03418	0.9
59.04982	1.3
67.05488	2.5
69.03423	2.2
69.07051	2.7
70.06590	32.4
71.04982	0.9
71.06888	1.4
72.08153	63.0
74.06084	1.8
75.05595	1.4
79.05486	1.9
81.03419	1.8
81.07051	3.0
83.04980	6.3
83.06106	3.4
84.04505	7.3
84.08140	15.4
85.02898	2.8
85.06562	0.9
86.09702	100.0
87.00859	0.9
87.10033	1.1
88.03985	2.2
91.05490	1.6
95.04974	2.4
95.08569	1.5
97.02918	1.9
97.06488	1.4
98.06021	1.4
98.97590	1.0
99.05606	0.9
102.05551	4.0
105.07048	0.9
106.05017	1.0
107.08594	1.3
108.08092	1.1
109.02902	1.0
109.06551	0.8
109.10153	4.3
110.02391	0.9
110.07178	1.4
111.04428	1.4
112.07616	1.0
115.08701	0.8
116.03468	1.0
116.07066	1.4
119.04946	0.9
119.08572	1.0
120.08109	1.5
123.04459	1.4
123.08038	1.5
123.68581	0.9
125.09622	0.9
126.05499	1.0
127.03922	10.5
129.06606	1.9
129.10228	8.7
130.04987	1.0
130.06531	3.2
131.04675	0.8
131.08676	0.8
132.04460	1.1
135.08147	0.9
136.07547	2.3
137.05969	2.9
141.05466	2.3
141.10234	3.4
143.11784	32.9
147.04390	4.4
148.04903	0.9
148.06032	3.0
157.07648	1.9
158.06035	2.3
159.09158	1.1
169.09741	2.8
170.09892	0.9
171.11284	28.8
175.08675	2.7
186.08765	1.0
188.07069	1.4
196.14435	1.5
197.12878	1.8
201.12306	5.0
203.08151	1.4
204.06844	0.7
209.15416	2.7
219.13400	32.5
221.09247	4.5
224.13902	1.1
226.11334	0.9
227.05568	1.0
227.14105	1.0
227.16414	1.0
229.30716	1.0
234.99113	0.9
237.02780	0.9
239.17538	3.1
243.13499	1.3
254.10469	1.0
267.11374	1.6
284.19614	4.5
285.34488	0.8
292.13031	1.2
345.15231	8.5
351.63559	0.9
353.15012	1.0
371.16171	2.5
371.23175	2.0
389.13959	1.7
389.17847	39.4
389.22989	1.7
390.17783	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	389.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43614	2.2
51.89504	2.1
53.03934	9.3
55.01864	18.9
55.05507	14.2
56.05021	4.2
56.83203	2.2
57.03428	5.6
57.07036	3.0
57.83535	2.7
61.02926	3.0
64.23135	2.3
65.03932	2.7
67.05503	18.7
69.03424	30.5
69.07056	21.4
70.06593	12.4
70.75914	4.9
70.76254	2.7
71.04987	12.8
72.08152	14.6
72.14679	2.3
73.02906	3.4
79.05489	28.2
81.03416	27.7
81.07050	44.1
83.04977	7.2
83.06108	3.1
83.08624	3.4
84.04501	5.6
84.08130	8.8
85.02888	15.1
85.06522	9.6
86.09698	15.1
91.05463	20.0
93.07035	73.2
95.04964	17.0
95.08600	29.9
97.02885	41.3
97.06531	19.6
99.04452	22.2
102.05509	2.6
103.05455	3.6
105.07018	58.5
107.04959	8.6
107.08583	80.1
109.02870	26.4
109.06531	20.9
109.10162	5.5
110.07145	3.7
111.04417	3.4
111.08079	9.5
113.06000	4.9
117.07021	7.4
119.08572	18.2
120.08108	7.1
121.06509	26.1
121.10134	54.2
123.04407	5.0
123.08051	10.6
124.07588	4.1
127.03905	36.2
127.07571	4.9
127.78471	2.4
129.06973	4.3
129.10275	2.4
130.07756	2.9
131.08549	8.9
133.06569	2.2
133.10139	4.6
135.08011	12.0
135.11691	22.6
136.07556	4.9
137.05995	5.7
137.09576	3.8
139.11159	3.7
143.08534	3.7
145.04948	4.2
145.10114	50.5
147.08051	4.1
147.11745	12.2
149.09622	25.2
151.07503	9.0
155.08559	3.8
157.10068	2.8
157.13405	4.2
159.09178	3.3
159.11632	5.8
161.09590	3.4
163.11165	96.4
164.11549	3.4
167.10663	42.1
169.08611	100.0
169.10085	10.6
173.09625	12.4
181.04892	4.0
181.12224	35.0
183.11607	3.0
185.11734	7.0
185.13234	3.1
188.07030	3.1
191.10646	64.4
191.12314	5.3
197.13164	2.8
209.08058	3.1
209.11723	27.6
210.12051	3.4
227.10515	3.6
227.12769	68.5
237.02895	3.7
265.09781	5.4
267.11227	2.6
293.09177	5.7
321.08734	3.7
339.09793	6.7
353.15918	5.4
371.11429	4.0
371.16571	5.2
389.13235	15.7
389.28629	7.5
390.02698	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	389.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40754	0.7
51.66499	0.6
55.05493	3.3
55.05742	0.7
56.05013	3.0
56.08238	0.7
56.96550	2.5
57.03431	1.3
60.04504	3.3
67.05155	0.7
67.05515	1.8
69.03423	2.6
69.07060	3.6
69.47111	1.5
69.47517	6.3
70.02944	1.1
70.03777	0.8
70.06195	1.0
70.06585	21.6
72.08148	39.2
74.06067	2.6
75.05584	1.3
79.05505	1.1
81.03416	2.2
81.07055	2.1
83.04951	0.9
83.06108	1.5
84.04501	11.9
84.07658	0.6
84.08135	17.1
85.02899	4.3
85.06542	1.0
86.09697	46.2
87.05565	2.6
88.03976	2.0
91.05466	2.5
93.07032	1.4
95.04979	1.1
95.08552	1.0
96.04469	0.9
97.02876	1.8
98.06059	1.4
98.97576	1.3
101.07133	3.6
102.05528	2.7
106.02898	2.2
107.03263	1.3
107.04949	1.9
109.02898	1.4
110.07142	4.3
110.09647	1.2
111.05545	1.0
112.07545	0.8
112.08741	0.9
114.09101	0.8
115.05028	0.8
116.07088	3.6
116.98581	2.3
119.04929	1.9
119.08553	1.0
120.06572	2.1
120.08091	2.2
123.08027	1.0
124.03947	5.1
124.29652	0.8
125.04295	2.1
127.03914	1.6
128.10706	1.7
129.10231	11.3
130.04926	0.9
130.06526	2.1
134.99628	1.0
136.07565	2.7
139.08641	1.5
141.10199	1.2
143.11787	6.8
143.34187	0.8
144.06558	8.6
145.04910	1.1
147.04402	5.1
148.06116	1.0
149.01279	0.7
159.11295	3.0
161.09190	7.7
165.09132	1.4
167.08299	0.9
171.11232	4.4
173.12837	5.8
175.10728	0.9
177.00708	0.8
177.05518	1.4
183.11349	1.1
187.10797	1.1
187.14407	3.4
189.12383	3.4
196.06047	0.8
196.10791	0.9
201.12277	8.0
203.13934	3.0
215.13898	1.1
219.13373	2.2
225.16072	1.3
227.08200	0.9
233.14972	0.8
234.99034	1.0
237.02771	0.9
245.06473	1.0
267.10004	0.8
268.08160	1.3
269.08514	2.5
270.18353	0.9
345.15155	37.5
346.15524	1.2
348.67694	0.7
380.56952	1.0
389.13962	4.0
389.17804	100.0
390.18289	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	389.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01868	1.0
55.05504	2.7
62.42771	0.6
67.05501	1.8
68.69026	0.5
69.03415	1.5
69.07047	2.1
70.06586	3.4
70.68883	0.5
70.89740	0.9
70.90072	0.9
71.04978	1.5
72.08158	1.2
79.05488	1.8
81.03421	3.3
81.07048	2.0
83.04967	3.5
83.06081	1.0
84.04483	1.5
84.08121	1.7
85.02891	1.3
85.06519	0.9
86.09707	5.0
88.04006	0.5
91.05473	2.0
93.07037	2.9
95.04965	0.8
95.08604	2.2
97.02869	2.6
97.06525	1.8
99.02647	0.6
99.04452	1.4
105.06995	1.9
107.04926	0.7
107.08585	3.0
109.02876	2.0
109.06520	1.2
110.07106	0.7
111.08052	1.0
115.08684	0.8
119.08530	1.2
121.10120	2.0
121.94920	0.5
122.06013	0.6
124.07546	1.0
127.03890	1.0
127.05757	0.6
129.10257	0.8
130.04971	0.7
132.04433	0.8
133.10112	0.6
135.11610	1.0
141.08890	1.1
145.10121	1.3
149.09572	1.0
151.07497	0.9
152.07034	0.8
161.04448	0.6
162.05513	4.3
163.11166	2.6
163.14825	0.7
167.10645	1.2
169.08586	1.9
171.07629	0.6
173.07114	1.0
181.12193	0.9
183.84912	0.5
188.03525	1.4
188.07050	0.8
191.08127	5.9
191.10718	0.8
200.07413	1.5
201.09666	0.5
205.09694	1.2
206.04442	1.0
209.11667	0.6
209.15250	0.6
216.10587	1.2
227.05185	1.1
227.12811	1.2
227.16469	0.9
241.09657	0.5
242.08548	1.0
243.11205	1.2
264.17258	0.5
267.11209	0.7
285.12292	2.2
293.09305	0.7
303.14139	10.5
307.12909	2.7
321.13980	0.9
327.14124	1.3
329.11630	0.5
339.09836	1.7
345.15167	63.1
346.15466	2.8
357.10672	2.1
371.16025	0.7
389.14108	100.0
390.14578	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	388.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01867	2.5
55.05499	2.4
56.05025	2.2
56.96557	2.6
57.03436	0.8
60.04523	0.7
61.02919	0.9
65.03938	1.1
67.05509	3.3
68.05035	0.5
69.03413	1.5
69.07057	4.1
69.39747	0.7
69.40152	4.0
70.06595	3.2
71.04964	1.3
72.08154	3.0
79.05488	3.6
81.03420	1.1
81.07058	6.5
83.04982	1.6
83.08609	0.7
84.04499	25.0
84.08140	1.9
85.02908	1.6
85.06536	0.9
86.06049	0.9
86.09702	100.0
87.04504	0.5
87.10046	1.2
90.86829	0.6
91.03960	0.5
91.04952	0.9
91.05473	9.8
93.07034	7.2
95.04932	2.9
95.08606	3.5
96.04472	0.9
96.08137	0.8
96.08944	0.6
97.02893	2.1
97.06518	4.4
98.06035	0.6
98.20748	1.1
99.04436	0.9
102.05537	11.4
105.07029	6.3
107.04938	4.3
107.08579	5.5
109.06521	2.0
109.10150	1.6
110.06036	0.5
110.07159	0.6
111.04489	0.6
111.08114	1.4
113.07161	1.3
115.05516	0.6
116.10706	0.6
119.04930	6.4
119.08572	4.5
120.08089	0.8
121.06494	5.7
121.10184	2.2
122.03621	0.9
123.04416	0.8
123.08124	0.9
125.06035	1.2
127.03887	1.2
127.07565	0.8
129.06540	3.6
130.06537	1.1
131.04974	1.1
131.08577	1.2
133.06493	1.2
133.10129	2.9
134.06015	1.8
134.99623	0.5
135.08054	2.1
135.11694	0.5
136.07567	32.6
137.02527	0.5
137.05968	8.0
137.06927	0.7
137.07898	0.5
137.09570	0.5
138.06326	2.6
139.07549	1.2
141.06577	2.5
142.08653	0.6
143.07004	0.6
143.08545	0.9
144.05486	0.5
145.10124	1.9
146.11752	44.9
147.08148	0.8
147.11656	5.1
149.05971	0.7
149.09613	0.9
151.03928	0.6
152.10709	2.0
153.38782	0.5
157.06441	0.7
157.10149	1.4
161.05978	0.6
161.09578	1.0
161.13298	1.1
162.05524	1.0
163.11218	1.6
165.09138	0.5
165.12766	2.2
167.07123	1.3
169.08623	0.6
170.11772	2.7
172.13451	0.7
173.09521	0.5
175.07544	0.7
175.11148	3.8
175.14705	0.5
177.05492	0.9
181.04970	3.4
182.05411	0.6
188.08792	0.5
189.12747	2.9
191.07057	0.6
192.03310	0.8
193.12196	2.6
197.12846	14.9
197.14679	0.8
198.13356	0.5
199.11180	1.4
206.60582	0.5
209.08151	1.7
210.04256	0.6
211.13239	1.2
212.05913	1.1
215.13905	31.0
217.12224	4.7
225.12328	6.2
228.15817	0.5
235.13364	1.8
238.03993	1.4
238.76434	0.5
243.13387	8.6
256.04938	2.4
259.20190	2.5
260.12714	0.9
283.06348	2.0
283.10733	0.6
285.10132	1.0
287.05493	1.1
300.52817	0.6
311.62228	0.6
329.11331	1.2
334.17996	0.5
352.18948	2.4
358.13467	1.0
361.02939	0.7
370.19891	4.3
388.14743	2.4
388.21085	5.2
389.15488	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	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01868	2.8
55.05507	12.7
56.05007	0.8
56.96564	1.1
57.03440	1.2
57.05811	1.0
57.07067	0.9
60.04518	0.9
61.01435	0.7
61.02921	0.8
62.96598	0.6
65.03954	0.9
65.20424	0.6
67.05504	5.9
69.03427	2.7
69.07066	6.6
70.06585	3.0
71.04989	2.8
72.08151	100.0
79.05478	8.8
80.05851	0.7
81.03426	2.2
81.07054	14.7
83.04971	8.6
83.08614	2.1
84.08141	2.5
85.02402	0.7
85.02895	1.5
85.06540	2.7
86.06091	0.9
86.09694	1.5
91.05473	7.3
93.07040	18.9
95.04971	7.0
95.08606	9.6
97.02899	1.6
97.06526	11.3
98.06071	1.5
99.04465	3.6
101.06009	0.9
103.05449	0.9
105.07025	14.3
107.04951	1.7
107.08597	9.4
109.02866	1.1
109.06516	6.6
109.10163	3.4
110.10488	0.7
111.04446	1.2
111.08077	9.0
113.06033	1.1
114.09186	1.4
116.07093	1.3
117.06979	1.4
118.08647	31.1
119.08565	8.7
120.08121	1.4
121.06490	10.9
121.10158	2.3
123.04415	1.2
123.08074	2.2
123.11708	3.1
124.07558	0.7
125.05982	6.5
127.03975	0.7
127.07571	2.1
129.10246	0.8
131.08568	1.9
133.06522	1.6
133.10129	10.3
133.11076	0.9
135.04396	0.8
135.08028	4.6
135.11696	1.1
136.07571	1.7
137.05984	8.3
137.09575	1.4
138.06273	3.7
139.07533	6.9
139.11142	0.6
142.07745	1.3
143.07013	4.4
143.08562	1.7
145.06433	0.8
145.10162	3.0
147.04326	0.7
147.08026	1.7
147.11668	13.8
147.12775	1.0
149.06010	1.1
149.09595	0.8
149.13237	1.5
151.03932	1.2
151.07559	0.9
151.11189	2.0
157.08829	1.1
157.10161	4.0
159.06494	1.1
161.09586	1.2
161.13249	2.9
163.07562	0.8
163.11334	1.2
165.12791	4.5
167.07008	1.1
168.07416	0.8
168.13882	0.9
169.08675	1.0
169.12241	6.1
171.11716	3.7
173.09653	1.4
175.11194	11.9
181.04997	2.3
181.10115	0.8
182.05347	0.9
189.09155	0.9
189.12741	7.3
191.14246	1.0
193.12250	9.8
196.13397	1.5
199.11127	3.9
203.16704	0.7
207.13918	1.8
210.14833	0.9
211.13234	5.1
214.14363	1.4
217.12219	15.7
217.14259	1.1
226.14352	1.2
228.16081	1.1
229.14427	1.7
229.44984	0.8
235.13336	6.3
252.15996	1.5
253.14293	5.1
260.20007	1.2
264.19604	1.6
270.16968	3.3
278.21021	0.8
280.22678	3.9
282.20657	2.1
284.47952	0.8
288.19598	8.5
306.20627	19.1
308.22543	0.9
310.19958	0.8
324.21664	27.3
325.22134	1.3
326.23306	1.2
328.21313	2.0
334.20245	3.8
342.22763	8.1
352.21249	6.8
358.13766	1.2
370.22229	9.7
388.10602	0.8
388.14804	2.5
388.19745	1.6
389.12726	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	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43725	0.7
51.42567	0.8
53.03937	5.5
53.31525	0.7
55.01868	7.3
55.05489	1.4
57.03427	4.9
60.50831	0.7
61.02924	6.3
67.05488	1.2
68.99780	1.5
69.03424	33.7
70.06572	1.6
70.26286	2.5
71.01328	1.1
71.04982	4.8
73.02906	5.9
79.05482	2.5
81.03408	23.2
81.07057	1.0
83.01331	1.0
85.02897	100.0
86.03201	1.1
87.00293	1.8
87.00822	33.7
87.04458	1.6
91.03913	1.2
91.05472	4.4
93.07021	2.6
95.04926	1.2
97.02881	28.1
97.06491	1.4
98.20808	1.0
99.04440	12.2
103.03925	1.5
103.05457	1.7
105.01858	70.4
105.06303	1.1
105.07019	20.7
107.08576	2.4
108.04467	3.1
109.02112	1.3
109.02870	24.7
109.06547	0.9
110.07118	0.8
114.28070	0.8
115.03891	1.5
117.01846	2.6
119.01634	2.0
119.04953	1.1
119.08547	4.5
121.06490	6.6
121.10096	1.1
122.02717	1.1
122.56557	0.8
123.02916	0.9
123.04392	1.7
124.03944	3.8
126.05515	2.2
127.03909	73.7
129.01842	3.6
133.06497	1.3
133.10112	3.1
136.07584	6.4
137.05939	2.8
145.04947	41.0
147.02841	2.2
147.04326	0.8
147.07997	1.4
159.02869	16.0
161.09593	9.1
163.11298	1.1
165.05489	2.4
169.08618	2.1
170.90233	0.8
177.04002	0.8
182.08124	2.0
189.03885	4.6
189.09102	3.5
208.06401	1.8
213.03920	3.7
213.09154	1.4
227.12819	1.0
231.04977	22.3
248.07631	2.6
249.06052	7.5
266.08676	0.9
268.08109	3.0
324.15808	1.6
342.16876	4.0
378.67227	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	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01866	8.0
55.05504	2.3
57.03429	6.8
59.04979	0.8
61.02921	5.1
62.62609	0.8
67.05494	1.2
68.99791	2.8
69.03420	32.3
69.07063	1.6
70.06589	3.4
70.45255	3.0
71.04980	5.2
72.08138	0.8
73.02914	7.1
79.05490	3.5
80.24678	0.7
81.03414	24.0
81.07055	3.1
83.04962	2.6
84.08132	1.6
85.02897	100.0
86.03230	1.0
86.09699	1.5
87.00821	35.9
87.04452	1.7
91.03951	1.8
91.05467	7.0
93.07040	4.1
95.04974	2.6
95.08614	1.0
97.02879	29.4
97.06526	2.4
99.04441	14.2
103.03885	0.9
103.05450	1.5
105.01854	63.6
105.07015	19.0
106.02948	1.1
107.04920	1.0
107.08592	3.0
108.04470	3.9
109.02868	27.4
109.06557	1.2
115.03983	1.2
116.67140	0.7
117.01888	2.2
117.07012	1.2
119.01641	3.3
119.04921	2.4
119.08576	5.9
120.08120	0.9
121.06483	8.6
121.10179	1.8
122.02769	1.6
123.04417	1.7
123.08084	1.3
124.03966	4.1
126.05510	1.5
127.03904	65.9
129.01805	2.5
133.06528	1.0
133.10083	5.7
135.08043	1.7
136.07567	8.1
137.05992	3.9
138.06308	2.2
143.08620	1.1
145.04942	34.3
147.02870	2.5
147.08092	0.8
147.11740	1.1
149.09537	1.0
151.07542	1.1
159.02876	15.6
161.09589	9.8
163.11198	2.6
165.05441	2.5
165.12820	1.0
169.08600	3.0
175.14687	0.9
177.03874	1.7
179.10605	1.6
182.08141	2.7
189.03981	3.1
189.09126	4.6
191.10588	0.9
192.73985	0.8
208.06424	2.3
208.14244	1.0
209.11690	0.9
213.04004	2.8
213.09175	2.3
227.12883	1.6
230.06459	1.3
231.04988	25.9
231.10135	1.4
231.14035	1.1
248.07681	1.8
249.06111	8.5
268.08057	4.1
275.00601	1.3
324.15921	1.7
342.17068	4.2
358.13678	1.3
388.14731	1.6
389.18167	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	388.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93523	4.0
56.94310	1.2
56.96560	4.0
61.02904	0.7
65.48299	0.8
67.05476	1.6
69.07069	1.0
69.78785	5.4
70.95858	2.4
71.92992	1.0
72.93780	6.6
73.94569	0.9
79.05489	2.5
81.03414	1.4
81.07055	2.1
87.53540	0.8
88.96893	1.4
90.94798	4.6
91.05476	2.5
93.07051	1.7
95.04967	1.0
95.08598	1.4
105.07034	2.3
107.08602	1.6
108.95864	2.5
119.08567	1.6
126.98449	0.8
128.06209	0.7
128.96313	0.9
129.07001	1.3
130.97919	1.4
131.98688	0.9
133.10149	0.9
138.98441	1.5
143.08531	1.3
144.99490	1.1
145.02815	1.4
146.97372	1.2
146.99637	1.6
149.00490	1.1
150.98419	1.5
151.01976	0.9
151.97583	1.0
154.97916	1.0
157.10191	1.0
158.97409	0.9
162.96907	1.1
164.99988	2.3
166.97931	2.6
168.99525	1.1
170.97391	1.2
171.01025	0.9
172.99019	1.0
177.05498	1.5
178.97896	2.3
180.99506	1.2
184.98999	1.2
186.01376	0.8
187.00462	1.1
189.04187	0.9
191.01605	0.8
192.99413	1.9
193.03015	0.9
195.01126	1.3
196.98935	1.4
199.00502	2.1
200.98445	1.3
201.01974	1.1
203.05891	1.3
207.01054	1.7
211.00511	1.2
213.01875	1.2
213.03658	2.9
215.01654	0.9
215.03494	0.9
215.05460	0.9
217.03050	0.8
223.00714	0.9
225.03683	1.0
227.05412	1.5
228.23309	1.6
235.00533	1.3
239.05437	0.9
253.06866	1.6
255.08382	2.3
269.08359	1.3
277.06836	2.0
278.05899	1.3
279.08389	5.3
281.09940	3.6
297.07629	5.1
299.10660	1.0
301.08939	1.4
303.06863	1.0
303.10385	2.3
309.07819	2.1
320.09375	0.9
325.08914	1.6
327.10464	2.9
329.11694	1.6
342.87183	0.9
345.11523	6.4
347.12775	38.5
348.13165	1.8
363.12592	4.0
365.14005	100.0
366.14227	5.1
388.15555	17.4
388.32608	1.4
389.16074	1.0
389.22925	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	387.2713
Annotation	Arg Val Leu
Peak:m/z	Relative Intensity
55.05493	1.9
56.05020	1.0
60.04504	3.6
60.05642	7.5
68.05023	1.3
69.03419	1.6
69.07037	1.2
70.06585	100.0
70.83660	2.3
71.04984	5.9
72.08147	13.5
74.06063	1.1
74.84525	0.8
83.06091	1.2
84.04493	2.2
84.08150	6.7
85.02876	2.8
86.09698	13.2
87.09190	1.6
88.03967	1.2
88.07605	3.3
91.05470	1.0
94.44610	0.8
97.02872	1.7
97.07612	1.3
98.06053	2.2
102.05483	0.9
110.07136	1.1
112.08720	20.5
113.07092	1.2
115.08684	4.3
116.07063	3.4
118.29080	0.9
119.04912	0.9
120.08040	1.1
124.11190	2.1
127.03874	1.2
127.08669	3.2
129.10222	3.0
132.10342	0.9
140.08165	4.6
141.42393	0.8
147.04382	2.4
155.08124	3.2
157.10800	7.4
168.14920	2.6
169.13315	7.0
175.11940	3.0
177.05397	1.1
183.11365	0.8
183.14996	1.3
194.12897	1.9
196.14482	3.3
197.12939	2.2
207.13730	0.9
211.15550	15.6
212.16121	0.9
214.15752	0.9
225.17145	3.1
228.18179	2.7
231.17223	0.9
239.14861	2.2
256.17722	2.5
257.16141	5.4
270.19086	1.1
274.18680	8.1
288.20313	2.3
370.24463	6.8
387.16653	9.3
387.27097	88.9
388.27524	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	387.2011
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03934	2.9
55.01851	3.6
55.05499	5.3
56.05025	2.6
56.76313	1.4
56.96551	14.0
57.03421	5.2
57.07093	1.7
59.04954	2.0
60.04515	2.6
60.35959	1.4
61.02924	11.1
65.03931	2.5
67.05494	8.0
67.59041	1.5
68.05033	1.9
69.03419	21.2
69.07066	9.1
69.79272	9.1
70.03731	2.1
70.06585	21.3
71.04989	8.5
72.08149	18.7
77.91187	1.4
79.05475	7.4
81.03410	11.3
81.07037	12.8
83.04973	6.2
83.08608	1.7
84.04491	7.2
84.08134	24.4
85.02422	2.4
85.02899	35.7
86.06084	4.0
86.09696	39.9
87.00789	2.8
87.04463	2.4
91.05476	12.5
93.07033	7.2
95.04951	8.6
95.08596	7.1
97.02895	11.2
97.06503	6.2
98.06058	2.2
98.97550	1.9
99.04436	4.1
102.05519	2.3
104.07102	2.9
105.07015	17.0
107.04926	5.4
107.08571	13.1
109.02866	5.3
109.06509	9.4
109.10150	5.8
111.04406	4.0
115.07510	5.0
116.10689	1.6
117.07025	2.9
119.04938	7.2
119.08560	16.5
120.04451	5.1
120.08104	4.0
121.02834	5.9
121.04780	4.4
121.06484	5.5
121.10152	9.9
123.08054	7.5
123.11712	4.9
124.03905	2.4
125.06030	3.5
125.09659	2.2
127.03934	9.7
129.06950	1.7
129.10237	14.0
131.08566	4.1
133.02802	2.0
133.10109	6.9
134.03673	2.2
135.08052	6.8
135.11658	1.8
137.05936	4.5
137.09602	10.2
138.05486	3.1
139.05798	1.9
139.07541	2.2
139.08597	1.9
143.08527	1.9
145.04916	5.2
145.10092	4.2
147.04407	13.6
147.08038	2.8
147.11697	18.3
149.09566	9.4
151.07538	6.2
151.11185	18.7
153.09062	2.2
157.13373	2.8
159.03317	2.5
159.08028	2.3
161.02408	3.9
161.09357	5.8
161.13234	4.6
162.03185	2.7
162.05493	6.6
163.11176	5.5
165.09148	2.3
165.12743	8.1
167.07039	2.2
171.11626	2.5
172.94258	2.6
174.10350	1.7
181.12215	4.1
185.12813	4.8
189.12729	6.4
190.95308	5.9
191.14410	2.2
193.76387	1.5
207.13782	22.8
225.14827	100.0
226.14684	1.9
229.06810	1.9
234.98941	3.4
249.11238	1.6
257.68976	1.6
265.10950	3.4
266.11237	2.3
284.12540	2.3
341.11298	2.9
343.08289	2.5
346.06979	5.1
351.09109	2.1
363.07852	3.2
364.08218	17.4
365.07797	3.5
369.10281	2.3
369.24362	2.3
382.09091	4.1
387.15759	4.7
387.19992	3.8
387.25046	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	387.201
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.05505	5.1
57.07080	6.3
57.75822	3.0
61.02916	3.2
67.05504	27.5
69.03426	7.1
69.07057	5.3
70.06586	16.4
71.11204	6.9
71.11579	6.0
72.08135	17.0
79.05483	6.7
81.03425	4.6
81.07057	6.2
83.04986	4.3
84.04521	4.9
84.08130	7.2
85.02900	9.4
85.06538	13.7
86.09690	17.2
89.39082	3.5
91.05484	5.5
93.07034	9.3
95.04952	4.2
95.08598	100.0
97.02898	3.1
97.06535	4.5
105.03412	6.1
105.07013	7.4
106.28197	3.6
107.08587	11.9
109.02890	5.5
109.06487	3.6
109.10162	4.5
110.07124	2.8
110.09595	3.3
113.06010	14.5
119.08554	17.1
121.06461	5.1
121.10130	6.9
123.08055	38.1
127.03896	3.0
129.27133	2.9
135.11682	16.6
137.05969	4.4
145.92088	3.1
147.04445	6.4
147.11655	3.3
149.09613	24.7
151.07510	8.4
151.14751	6.4
153.05496	3.0
161.09349	4.0
161.13219	8.8
163.11169	9.4
165.12741	6.7
171.11766	4.1
174.10429	3.4
177.05530	4.1
185.16502	4.7
189.12767	13.9
195.07785	5.3
207.13788	61.0
234.99049	9.3
272.19662	3.0
283.13647	3.1
387.20541	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	387.1914
Annotation	OLODATEROL
Peak:m/z	Relative Intensity
53.03931	1.4
53.47660	0.9
55.01865	3.4
55.05505	3.3
56.96553	2.2
57.03440	1.5
67.00952	1.0
67.05503	33.6
69.03419	2.4
69.07072	7.7
70.06584	1.1
71.04990	2.8
71.25417	0.9
71.43411	1.1
71.43738	1.4
72.08165	2.0
79.05488	10.1
81.03423	1.9
81.07059	18.7
83.04963	1.5
83.08598	1.9
84.08134	1.3
85.02898	1.6
85.06525	3.3
86.09708	1.6
88.83009	1.0
91.05486	5.3
93.07041	7.4
94.82908	1.0
95.04961	9.3
95.08044	1.4
95.08598	11.5
97.02843	1.6
97.06526	33.9
98.97582	3.3
99.04461	1.5
99.08080	2.5
103.05429	1.3
105.07037	3.2
107.04926	1.6
107.08566	5.8
109.06531	2.3
109.10150	63.6
115.05460	2.0
116.98608	3.7
117.06966	1.9
118.06554	7.8
119.08572	7.1
121.06476	1.6
121.10132	3.9
125.05957	3.9
126.18211	1.0
128.06137	1.3
129.07021	1.6
130.06525	13.2
132.08083	23.4
132.09001	2.0
132.99564	1.5
133.10103	2.3
134.99629	2.2
137.05984	17.5
137.09612	94.8
138.09956	2.4
142.06549	5.5
143.08577	1.3
144.08064	5.2
145.10133	1.9
146.05997	24.1
147.08044	1.8
147.11671	1.2
149.01192	1.4
149.13298	1.2
153.09094	1.1
154.31525	1.2
155.10646	8.3
158.99608	1.4
159.09174	100.0
160.07562	3.3
160.09613	1.7
165.09103	47.3
167.07037	4.2
167.08441	1.3
169.07678	1.7
170.05949	4.9
173.01236	1.3
173.06000	2.0
175.07512	1.3
177.00668	3.4
177.09137	1.1
181.04941	2.9
183.10155	2.2
185.05956	2.3
187.08769	2.4
188.07054	41.6
189.05476	1.7
191.00143	2.2
191.02177	1.2
191.07076	1.5
196.09908	1.4
197.05988	2.1
197.08344	4.5
199.07561	1.9
200.02486	1.1
201.11180	1.6
205.01685	1.4
205.09772	11.1
212.12839	1.4
213.09088	2.8
215.07092	1.8
217.08502	1.3
223.07544	1.4
240.12331	2.7
241.08670	5.6
241.12445	1.2
243.06580	1.7
254.13649	1.7
259.09665	3.7
269.08118	1.3
271.06409	1.7
305.16614	1.2
311.12830	2.0
311.16339	1.4
323.17542	34.7
324.17947	1.4
335.87088	1.1
337.14291	1.7
341.18594	94.0
342.18829	3.1
351.16968	6.0
355.15454	4.2
357.13293	2.7
369.18091	6.2
387.14282	5.2
387.18826	7.7
387.26535	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	387.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.03938	0.6
55.05498	0.2
56.96552	0.3
61.02891	0.2
65.03956	0.2
67.05501	0.5
67.52930	0.1
69.03410	0.6
69.07037	0.2
70.44152	0.3
71.05009	0.2
77.03918	0.2
79.05488	4.1
81.03431	0.9
81.07024	0.4
85.02905	0.3
87.62937	0.1
91.03983	0.2
91.05471	0.6
93.07019	0.3
95.04953	1.6
95.08611	0.2
97.02862	0.2
97.06515	0.2
98.97574	0.2
103.05465	2.6
105.07021	100.0
106.07333	1.6
107.08528	0.2
109.06477	0.3
109.10157	0.3
117.06963	0.2
119.04929	1.8
119.08527	0.3
121.06512	0.3
124.62933	0.1
127.03931	0.2
129.06960	0.2
133.71770	0.1
136.55817	0.1
137.05992	0.2
139.50108	0.1
142.07805	0.1
142.81642	0.1
143.08492	0.2
147.11659	0.1
225.65614	0.1
229.07593	0.2
242.24736	0.1
306.12463	0.2
358.56863	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.3
58.04988	1.6
60.04496	2.5
62.70320	2.0
63.45251	1.5
69.03432	4.8
69.81484	3.7
69.81890	6.2
70.02956	3.1
70.06589	17.3
70.66007	1.7
72.08141	9.4
74.02434	17.1
81.03406	3.4
83.06091	1.8
84.04512	3.4
84.08134	9.4
84.88689	1.8
85.02917	8.4
86.09694	5.2
88.03997	5.3
88.41862	1.9
92.04989	2.3
95.04965	2.6
97.02898	2.6
102.64232	1.8
108.05593	2.0
109.02869	2.1
110.06037	100.0
116.03447	1.8
121.08530	2.0
127.03928	2.6
129.10234	4.9
134.06026	6.1
138.09132	6.3
139.09480	5.1
147.04367	2.1
161.07117	7.6
163.51343	1.7
179.08192	10.1
201.00711	12.2
207.07660	16.2
219.01814	2.7
225.08691	47.0
225.10796	3.2
241.09334	1.8
267.09668	3.6
303.09979	2.2
342.98355	2.3
345.05179	2.2
387.27057	4.1
397.09998	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	387.1434
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.02963	0.3
53.03904	0.5
55.01853	0.8
55.05478	0.9
57.03405	0.3
65.03900	0.9
66.04689	0.3
66.77383	0.3
67.05502	1.6
69.03423	1.5
69.07041	0.6
70.06591	2.6
71.04961	0.6
71.13245	0.4
72.08162	2.3
79.05493	1.9
80.04962	0.3
81.03400	0.6
81.07034	0.8
82.04199	0.3
82.06550	0.3
83.04953	1.0
84.08144	2.1
84.68525	0.3
85.02905	2.4
85.94650	0.3
86.09690	2.7
87.09965	0.3
91.05475	2.0
93.07021	1.0
94.04181	2.8
95.04963	1.6
95.08571	0.7
95.90334	0.3
97.02872	1.0
97.06531	0.7
98.97576	0.5
103.05450	0.6
105.03386	0.4
105.07023	1.4
107.04959	1.5
107.08575	1.0
108.04462	1.3
109.02847	0.5
109.06511	0.9
109.10090	0.7
110.03671	0.6
111.04439	0.7
115.05466	1.7
116.98524	0.3
117.07006	2.3
119.08556	1.3
120.08051	0.4
121.06494	0.7
121.10128	1.0
122.03642	8.1
123.04405	0.6
123.08038	1.3
124.07548	0.4
125.01538	0.7
125.06009	0.7
127.03900	1.0
129.05510	0.4
129.10228	1.1
131.08629	0.4
133.10164	1.3
135.08055	0.7
136.03928	0.5
136.07611	1.1
137.05969	100.0
138.06342	1.2
143.04909	2.1
145.02834	0.3
145.05423	0.3
145.06480	2.3
145.10129	0.4
147.08012	0.5
147.11621	0.6
149.09622	0.5
151.03894	2.1
151.07550	0.6
153.01016	0.7
155.06029	0.6
157.13383	0.4
161.05974	0.5
161.09602	0.7
161.13290	0.4
162.05482	0.5
163.11223	1.1
165.09203	0.3
167.07037	9.7
167.08397	0.6
168.06567	0.9
168.08038	0.5
170.08391	0.4
171.06538	1.1
172.07639	0.3
173.05991	2.7
175.07599	1.0
176.07059	0.4
177.05576	0.5
181.04944	10.8
181.12265	0.4
185.03659	1.5
185.10736	0.7
186.09200	2.6
187.00687	0.3
189.12804	1.0
196.07573	0.4
198.07788	0.4
203.07047	1.4
205.08641	1.6
207.13789	5.3
213.10240	2.1
214.08698	0.5
226.07573	0.5
233.08214	1.1
234.99197	0.4
235.09671	1.8
237.02934	0.5
238.08722	0.5
240.09311	0.4
241.09711	4.7
241.56020	0.3
253.06299	0.4
255.11450	0.9
259.10757	0.8
265.10126	0.4
266.08258	0.6
268.08517	0.5
283.10785	5.4
301.11685	2.3
327.09955	0.6
343.13135	0.5
345.11246	0.4
357.13315	12.9
358.13968	0.5
369.10989	0.8
387.14600	25.0
387.19754	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	386.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68958	0.5
53.03934	1.0
55.01852	0.6
55.05495	1.6
55.82238	0.4
56.96560	53.7
57.03427	0.7
63.37545	0.5
67.05502	2.4
67.56463	0.5
69.03414	2.6
69.07066	2.8
69.44745	0.5
69.46440	2.2
69.46864	2.0
70.06588	5.0
71.04980	0.6
71.95242	1.4
72.08139	4.0
73.08487	0.7
74.97615	1.6
78.03437	1.5
79.05487	2.7
81.03421	4.0
81.07040	2.5
83.04964	0.9
83.08602	0.8
83.24899	0.5
84.04471	1.8
84.08123	1.9
84.95987	0.5
85.02893	2.2
85.06573	0.4
86.06065	0.9
86.09703	5.8
87.10024	1.1
91.05472	2.9
93.07046	2.5
95.04964	11.7
95.08592	1.9
96.04465	1.3
97.02874	1.2
98.97582	0.7
99.04429	0.7
101.05992	0.7
104.07083	1.5
105.07028	4.5
106.02908	9.0
107.08588	4.7
109.02860	1.7
109.06513	2.4
109.10130	1.5
110.07146	0.7
115.00674	1.7
116.06293	0.5
116.07089	1.5
116.98595	0.9
117.07005	0.5
119.04947	1.0
119.08552	3.4
120.08102	1.1
121.06516	0.7
121.10133	3.6
123.08052	1.9
123.11663	1.0
124.03944	15.7
127.03926	1.6
129.10237	1.2
130.08640	0.7
131.00095	0.6
131.08554	2.2
133.01744	2.7
133.10097	2.8
134.99606	0.5
135.08038	7.6
136.07536	0.9
136.92210	0.9
137.06035	0.5
137.09616	0.7
141.02187	3.7
143.11780	0.6
145.01718	1.0
145.10097	2.1
147.03322	0.9
147.04402	2.7
147.11684	4.7
149.01100	0.5
149.13130	0.6
154.93214	2.7
155.03792	0.7
157.01694	1.4
158.10950	0.7
159.03282	14.9
160.99089	0.5
161.01219	0.9
161.04782	0.6
163.02760	0.7
169.01743	0.7
171.03273	0.9
172.94266	16.0
173.04863	1.7
173.13284	3.4
175.02751	1.5
177.04369	3.6
178.08592	0.6
181.05267	1.1
182.04800	0.6
183.03244	1.4
184.00591	0.6
184.04024	0.5
185.04829	1.6
187.02831	0.8
189.04306	1.1
190.95316	28.5
191.14342	5.2
195.03119	0.7
195.06931	1.0
195.95914	0.8
197.04839	1.2
199.06398	6.8
199.08092	0.8
201.04286	1.6
201.08006	2.0
202.01318	0.6
202.05061	2.0
203.05870	1.4
205.05345	1.1
207.06879	0.8
208.96381	3.6
209.05077	0.8
211.06419	0.7
212.97389	1.2
213.04259	0.8
213.07927	1.2
213.33911	0.6
213.96893	1.8
215.05911	2.6
216.96899	1.4
217.07329	2.5
219.06897	0.6
219.09007	0.6
221.08449	1.7
223.06415	1.5
223.10100	2.6
225.07985	4.9
227.05931	2.0
234.03947	0.6
234.25899	0.5
237.08006	1.2
238.98891	1.1
239.05850	0.9
239.09505	4.5
241.07445	0.6
241.11093	10.3
243.09038	2.8
247.10040	7.6
249.07964	1.0
250.07083	4.2
255.09021	1.2
257.10535	1.4
259.12115	2.2
263.09586	1.9
265.11105	31.2
266.11453	1.6
268.08154	9.5
277.04260	0.5
279.02115	1.2
279.09009	0.7
281.10626	2.9
283.12161	19.0
284.12576	0.6
288.12735	1.1
297.02991	0.7
299.11581	1.0
301.04181	2.5
301.13229	1.0
303.05823	0.8
305.03983	0.6
305.19595	0.5
306.14041	0.6
319.05234	6.4
321.06757	0.9
327.05612	4.4
345.06750	32.2
346.07010	1.4
350.23270	0.6
363.07809	100.0
364.08191	3.4
368.08456	2.3
368.24454	1.1
381.08881	27.7
382.09140	0.8
386.09521	7.2
387.09210	0.7
404.10284	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	385.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00931	2.2
53.03940	2.5
54.07636	2.5
55.05500	16.4
57.07061	6.2
60.74608	2.3
66.82784	2.1
67.05501	19.8
69.07066	33.5
71.05004	12.5
79.05486	14.5
79.13374	1.9
81.07053	52.2
83.08610	11.3
85.06540	100.0
91.05473	16.5
93.07034	38.2
95.08604	85.8
96.41837	2.3
97.06538	7.2
97.10168	9.0
99.84706	3.3
105.07022	28.7
107.08590	56.4
109.10155	42.3
111.11685	3.0
117.07054	4.6
119.08580	29.5
121.10129	48.6
123.11704	20.0
125.09648	3.6
131.08569	3.7
133.10115	18.2
135.11691	35.5
137.13240	10.6
145.10123	9.5
147.11679	20.9
149.13225	26.4
159.11610	11.3
161.13235	19.7
163.14815	13.9
173.13251	6.9
175.14771	12.9
177.16353	6.7
179.14415	3.0
181.15889	6.1
187.14766	4.9
189.16394	8.7
191.17941	42.2
193.15897	7.9
195.17438	3.5
199.14783	3.6
200.94572	2.6
201.16466	6.5
203.17970	23.6
203.43469	2.9
205.19534	13.6
215.17880	4.0
217.19559	22.6
229.67366	2.7
231.21220	2.6
243.21149	7.7
247.20615	2.7
257.22714	7.2
285.25793	3.6
299.27325	8.6
334.88748	2.7
385.29208	20.2
385.34604	74.9
386.35120	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	385.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29133	1.4
55.05507	15.6
57.07060	6.6
67.05499	25.5
69.07063	35.1
70.67442	4.2
71.04996	12.5
71.08633	2.1
71.73790	1.4
79.05487	17.0
81.07049	51.1
82.79762	1.9
83.08607	15.3
85.06536	100.0
91.05470	12.6
93.07033	40.4
95.04983	2.5
95.08599	87.5
97.06522	8.1
97.10166	6.6
105.07027	35.2
107.08587	59.7
109.10146	44.2
111.08071	3.6
111.11684	3.7
117.06994	4.0
119.08563	33.1
121.10127	49.5
123.11693	20.1
125.09652	2.1
127.90517	1.6
131.08589	8.6
133.10118	20.8
135.11678	31.8
137.13243	10.2
139.11177	1.9
141.28928	1.7
145.10117	9.8
147.11673	27.0
149.13232	31.9
151.14868	2.3
157.10088	2.5
159.11653	10.9
160.47176	1.9
161.13235	22.1
163.14806	18.8
173.13219	6.1
175.14812	13.0
177.16376	8.8
179.14349	2.2
181.15845	7.0
185.13255	2.8
185.42603	1.5
187.14806	6.2
189.16345	11.3
191.17926	28.2
193.15877	11.7
195.17451	2.9
199.14848	1.9
201.16351	8.3
203.17921	18.7
205.19516	9.7
215.17947	3.9
217.19484	27.1
219.20972	1.8
229.19545	4.2
231.21062	5.2
243.21072	11.4
245.22760	2.5
257.22592	8.7
285.25754	3.8
287.23660	3.0
299.27344	7.5
301.25229	2.1
343.29944	2.5
345.01425	1.7
385.24249	2.8
385.29272	23.0
385.34604	75.8
386.29965	1.9
386.34991	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	385.2366
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
55.01851	4.4
55.05499	17.2
56.70727	4.5
57.03425	6.4
57.07062	5.9
59.04997	7.8
59.60707	4.4
61.10360	4.8
67.05490	22.8
69.03411	9.2
69.07047	11.5
71.04983	6.8
71.60553	4.6
79.05473	20.7
81.07038	22.4
83.04958	5.1
83.08601	13.2
85.06533	14.4
91.05476	34.0
91.35178	4.0
93.07036	33.9
95.04964	14.1
95.08585	23.7
97.06516	17.7
105.07018	50.1
107.08589	42.3
109.06516	19.2
109.10119	9.7
111.04443	7.5
111.08072	15.9
115.05467	4.6
117.07002	20.8
118.15037	4.6
119.08558	43.8
121.06496	11.2
121.10139	19.5
123.08052	38.5
125.09588	6.1
129.07004	11.0
130.07822	4.8
131.08563	45.5
133.06485	7.5
133.10107	22.4
135.08075	13.0
135.11664	37.0
137.05949	25.7
142.07771	5.8
143.08548	13.3
144.09346	13.8
145.06471	5.7
145.10083	38.3
147.08046	24.1
147.11639	11.0
149.09610	17.6
151.07518	87.9
156.03624	5.3
157.10152	14.7
159.08035	22.0
159.11676	57.9
161.09666	10.8
161.13213	8.0
162.10426	8.3
163.11128	28.8
165.09163	9.3
169.10126	7.1
171.11649	10.3
172.08818	4.9
173.09666	6.4
173.13196	8.6
175.11230	8.7
177.09114	17.3
177.12758	26.4
183.11586	7.6
187.11192	28.6
189.12694	20.6
197.13251	4.7
199.11194	7.3
203.14313	5.8
205.12230	51.8
207.13741	5.8
209.15317	7.9
221.15359	12.4
247.16980	6.1
252.57385	5.1
271.16910	4.9
277.13873	11.3
286.19305	26.9
327.39035	4.9
367.22495	13.2
376.65579	5.6
385.23715	100.0
385.28641	6.4
386.24200	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	385.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01876	0.9
55.05492	2.0
56.05021	1.4
56.96547	1.8
57.03424	1.1
61.02921	0.9
62.31655	0.6
67.05494	1.2
68.05035	0.8
69.03425	2.6
69.07053	1.4
70.06590	16.6
71.04995	1.3
71.06914	1.4
71.21636	1.3
72.08147	6.1
73.02922	0.9
74.06080	0.8
78.57614	0.5
79.05489	1.7
81.03413	2.2
81.07029	1.6
82.06595	0.5
83.04964	1.2
83.08611	0.7
84.04485	2.3
84.08139	6.8
85.02900	3.9
86.09700	10.4
87.10037	0.9
89.03914	11.5
91.05479	3.8
93.07051	1.2
95.04965	1.1
95.08601	1.1
97.02872	1.6
97.57574	0.5
98.97533	0.8
99.02703	0.6
99.04442	1.3
100.02174	1.5
100.07639	0.7
105.07031	1.6
106.04170	0.8
106.10866	0.6
107.08557	0.8
109.02863	1.7
109.06470	1.2
110.06024	1.4
110.07180	2.5
115.08614	0.6
116.01653	1.5
116.07099	1.0
117.03375	8.0
119.04964	1.4
119.08557	1.7
120.08088	1.8
121.06465	1.2
121.10133	0.8
122.05984	0.7
123.08085	0.9
124.07643	0.8
126.19020	0.6
127.03902	2.5
127.08633	0.7
129.10252	4.1
130.04984	0.5
130.06487	0.6
131.08539	0.6
134.03621	4.6
135.04410	11.1
135.08041	1.1
136.07506	1.0
137.05978	2.3
138.05519	1.2
140.05272	1.6
144.01125	0.8
145.02841	4.0
145.05017	0.8
145.10175	0.6
147.04341	3.3
147.07991	1.5
147.11646	1.1
149.05980	14.0
155.08150	1.0
156.05742	0.6
162.02072	0.7
163.03905	15.7
164.04243	0.7
164.07161	0.6
169.06091	1.6
173.13098	0.7
177.05463	100.0
178.05797	2.9
182.06386	1.7
182.08008	0.7
195.06148	0.7
201.05388	1.3
203.04918	0.8
205.12231	1.5
212.25491	0.6
263.34012	0.5
285.09021	10.8
319.34610	0.6
363.07901	2.2
381.09088	1.0
385.14423	1.7
385.18460	6.9
403.08124	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	385.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.05503	1.6
56.05020	1.6
56.33014	0.5
56.62181	0.5
60.04512	1.0
63.47547	0.5
67.05486	1.3
69.03416	1.2
69.07060	1.0
70.06588	13.4
70.32142	1.6
70.32540	1.5
71.04992	0.7
72.08155	6.3
74.06068	0.9
79.05463	0.6
81.03396	2.1
81.07034	0.9
83.04952	0.6
83.06091	0.9
84.04494	1.9
84.08131	7.0
85.02877	2.7
86.09693	9.2
89.03905	7.3
91.05458	2.0
95.04946	0.9
95.06068	0.9
95.08578	0.7
98.97575	0.7
99.04448	1.0
102.05542	0.9
103.05451	0.8
107.04947	1.0
107.08621	1.1
107.86092	0.6
109.02861	1.7
109.06502	0.9
110.06001	0.7
110.07155	6.0
111.07486	1.3
115.08647	0.6
116.07058	1.5
117.03367	23.4
118.03635	0.7
119.04904	1.8
119.08553	0.8
120.08094	2.2
121.06500	0.7
127.03878	1.4
128.04272	0.6
129.10265	3.2
131.06146	0.6
133.06447	0.7
134.03587	1.7
135.04376	1.5
136.07590	1.0
145.02834	50.4
146.03183	1.3
147.04382	4.8
147.08058	0.9
149.05959	8.8
152.09921	0.6
156.07687	0.6
162.76796	0.7
163.03844	1.0
166.08653	1.0
171.11308	1.5
172.82069	0.6
177.05455	100.0
178.05812	3.4
183.14868	1.1
186.05432	1.2
187.11107	0.7
195.06511	0.8
196.16087	0.7
198.96925	4.2
205.12215	1.0
212.10487	0.6
216.97932	6.5
237.02728	0.6
257.98273	1.4
294.19009	1.2
338.20923	0.8
339.20953	3.1
385.14240	3.6
385.21683	10.4
385.26062	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	385.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	8.6
71.58861	0.9
71.95273	1.1
98.97576	38.3
102.40810	0.8
116.98617	56.8
118.98207	1.9
119.01883	5.5
134.99651	62.5
136.00015	1.9
136.99167	1.4
137.02956	3.1
153.00714	14.6
158.01274	2.5
177.00946	14.7
178.01064	1.5
192.98834	1.0
195.01935	1.0
200.65645	0.9
217.04242	1.7
219.02000	22.9
220.02019	1.9
221.01755	3.1
225.00996	1.6
234.99849	4.4
236.00104	1.4
236.99698	5.3
240.98799	2.9
242.03606	1.1
242.98502	2.7
243.01959	6.8
243.49525	0.9
255.00955	1.4
258.99768	21.9
260.00031	7.7
260.04846	0.8
260.99686	26.7
261.03043	100.0
262.00015	2.3
262.03238	5.6
263.02899	2.6
274.97513	1.7
277.00827	47.6
278.00980	14.4
279.00638	57.7
280.01031	3.6
281.00525	1.1
282.99878	5.4
284.00061	3.2
284.04520	4.1
284.99796	15.9
285.99850	3.8
295.02042	1.1
297.01846	1.3
300.02509	0.9
301.00995	16.3
302.01193	10.2
303.00836	37.8
304.01062	9.5
318.00330	1.1
319.02243	1.5
321.01932	3.7
326.02319	1.3
343.02139	4.8
361.01404	11.1
362.01193	1.1
367.02325	1.6
379.02374	6.3
384.99487	1.0
385.03223	12.9
398.97690	1.5
403.00339	6.3
403.04227	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	385.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05490	1.0
56.05032	1.0
56.96558	2.2
57.03438	4.6
60.04507	0.7
61.02913	1.3
67.05492	0.6
69.03421	2.1
69.07067	0.5
69.60664	2.5
69.61074	1.0
70.06590	6.9
71.01351	5.5
72.08167	2.5
73.02914	6.2
74.06070	0.8
75.04478	1.1
79.05486	1.2
81.03403	0.7
81.07059	0.6
83.01344	0.9
83.04987	1.2
84.04501	1.6
84.08140	4.8
85.02901	14.2
86.09688	3.2
89.03883	0.6
91.05478	2.6
95.01323	3.4
95.04970	1.7
97.02888	4.9
98.97599	0.6
99.00827	1.6
99.04454	1.1
101.02380	1.5
102.05518	0.6
103.03934	1.8
105.07038	0.7
107.04948	100.0
108.05274	1.8
109.02875	0.9
109.10201	0.6
110.07164	3.5
111.04436	0.5
112.08721	0.5
113.02374	5.0
116.07092	0.5
117.05485	0.6
119.04922	2.7
120.08130	0.9
121.06553	0.6
127.03899	0.7
128.06195	0.4
129.10254	2.0
131.03391	4.6
131.04930	0.9
133.06500	0.8
136.06178	1.4
136.07539	0.9
141.01822	8.3
145.02917	0.9
145.04979	1.0
147.04399	7.0
147.08047	1.1
148.04755	0.7
149.05974	1.4
150.85121	0.5
153.05486	3.2
157.07631	0.6
159.02919	1.5
159.06477	0.7
161.09499	0.7
162.04118	0.9
169.05008	1.0
169.07628	0.9
175.07497	0.6
177.05424	2.9
187.05994	0.7
190.95346	0.8
193.08513	0.7
195.06479	0.5
197.04428	0.9
198.96877	1.6
201.00697	1.1
209.08067	14.5
215.05508	1.6
216.97983	1.7
223.13544	0.9
224.06630	1.2
226.15579	1.4
237.07608	0.5
251.09047	2.3
253.10797	0.5
257.98218	0.6
258.92090	0.6
265.11087	1.1
289.39984	0.6
302.15079	0.6
309.50186	0.5
345.06781	0.6
363.07898	1.6
385.10699	1.0
385.14774	4.2
385.19400	1.0
385.24796	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	384.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.8
55.05489	11.9
56.05018	10.6
56.96560	5.3
57.03418	7.3
59.04960	5.1
60.04519	5.3
61.02914	9.4
65.44054	3.2
67.05503	6.2
69.03415	12.8
69.07056	20.6
70.06244	5.0
70.06592	61.1
70.49379	6.9
70.49767	6.1
71.04978	6.4
72.08152	24.8
74.06080	3.9
76.71938	3.0
79.05476	9.0
81.03401	9.4
81.07044	21.4
83.04973	7.7
83.06091	13.7
83.08611	6.0
84.04471	9.6
84.08144	33.7
85.02901	32.7
86.09685	18.9
87.04457	14.9
91.05476	10.6
93.04530	7.6
93.07025	5.5
95.04987	4.6
95.06068	10.5
96.08090	3.4
97.02866	10.5
97.06510	3.9
97.10177	18.9
98.97577	4.3
99.08074	6.2
103.03966	3.4
105.07002	6.8
107.04928	4.9
107.08567	13.0
109.02821	6.3
109.06519	4.1
110.07153	54.9
112.08741	4.2
116.07068	7.0
116.98537	4.3
119.04947	5.4
120.08105	5.8
121.06535	3.8
125.09633	30.9
127.03882	11.3
127.11158	7.1
129.10207	13.3
133.06558	5.3
134.99666	3.4
136.07558	8.3
139.03876	4.0
143.10667	100.0
143.11794	6.4
143.95845	3.6
145.04932	7.7
147.04353	27.1
147.07982	5.2
149.01202	4.1
151.11118	4.7
152.05690	5.3
156.07654	13.1
161.01146	4.0
162.05479	3.7
164.04564	3.6
165.05476	3.5
167.07033	4.9
169.12206	33.9
177.00714	6.2
177.05502	16.8
187.13257	41.2
213.12372	4.2
216.97919	6.5
222.07642	7.4
222.11223	4.8
222.14822	4.0
338.20544	3.8
384.13437	11.5
384.21161	43.9
385.14725	19.5
393.56958	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	384.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
54.90607	0.9
55.01873	7.6
56.96559	4.3
57.03443	5.4
57.07068	2.5
61.02924	7.1
63.54177	1.0
67.05514	1.5
68.99784	3.3
69.03425	36.2
69.87933	5.8
70.06588	2.9
71.04984	5.0
72.08167	1.3
73.02908	9.0
81.03416	26.1
81.07073	2.3
83.01331	1.2
83.08614	1.1
85.02901	100.0
86.03275	1.2
86.06050	1.4
86.09699	1.6
87.00820	43.3
91.03935	2.2
91.05450	1.5
93.07069	1.5
96.08132	1.7
97.02889	36.8
98.21407	1.4
99.04458	14.3
103.05457	1.0
105.01859	69.3
107.08598	1.7
108.04489	1.4
109.02876	33.6
109.10194	1.1
110.03204	1.1
115.03953	1.7
115.55693	1.0
116.10717	1.9
117.01851	3.3
117.05568	1.1
119.10718	5.3
120.08093	4.3
120.08865	1.1
123.02869	1.2
123.08058	4.0
127.03910	69.2
128.04222	1.2
129.01830	4.1
136.83807	1.0
142.08582	1.7
145.04944	29.9
146.06041	5.9
147.02893	2.2
148.07573	8.6
153.05460	3.0
159.02888	14.9
171.02913	1.4
172.94142	1.1
182.04959	4.5
189.03951	3.2
190.95264	1.8
197.04794	1.1
205.12387	1.1
213.04002	3.4
225.04413	1.7
231.04994	20.0
231.07202	1.7
241.07568	1.3
249.06026	5.4
252.08688	3.2
253.13753	1.1
263.09561	5.2
270.17078	4.9
281.10587	6.4
281.13260	1.5
325.60638	1.0
343.05136	2.4
361.06284	7.2
366.22897	1.3
379.07504	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	383.3306
Annotation	17-(4-cyclopropylidene-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Peak:m/z	Relative Intensity
55.05501	32.3
57.07061	16.4
67.05492	45.7
69.07048	35.1
69.35934	11.0
69.77137	9.9
71.04408	25.9
77.61420	11.4
79.05486	24.6
81.07053	90.8
83.04985	13.7
83.08596	24.8
85.06519	38.1
85.81229	11.8
91.05470	33.3
93.07038	83.3
95.08597	99.6
95.27866	11.1
97.10146	26.2
105.07035	76.3
107.08603	69.4
109.10152	72.3
119.08607	94.5
121.10115	63.4
123.11681	46.7
125.03034	11.4
131.08585	19.7
133.10126	69.3
135.11649	34.6
145.10074	31.6
147.11685	66.9
149.13235	50.5
159.11629	30.2
161.13228	98.5
163.14833	20.8
173.13258	26.1
175.14845	22.9
187.14809	23.9
189.16272	12.2
191.17943	27.4
196.35522	10.7
203.17940	41.1
205.19437	23.1
217.19553	22.7
243.21085	15.9
255.20979	17.1
364.30301	11.5
365.31979	56.1
383.33047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1149
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01849	1.0
56.96523	0.3
57.03436	2.7
61.02907	0.7
69.03399	1.0
70.06558	1.3
71.01328	0.9
71.15423	0.7
72.08144	0.4
72.93801	0.4
73.02881	0.9
74.06041	0.4
84.08121	2.4
85.02895	2.3
90.15420	0.4
92.03135	0.4
94.03999	0.5
97.02862	1.0
99.00772	1.0
110.07140	0.7
119.03505	0.5
121.05070	1.2
129.10233	0.7
133.04924	0.8
135.06601	1.4
136.06178	17.5
137.04581	0.8
147.04378	0.8
148.06160	6.6
151.03856	1.8
155.05595	0.8
158.97418	0.5
160.06134	0.6
162.07735	35.9
164.05727	0.7
166.98024	0.4
188.05653	12.9
192.05150	17.1
206.06708	5.6
234.03923	0.7
234.06192	11.1
234.98938	0.5
252.07257	100.0
253.07504	1.3
301.42459	0.4
366.18091	0.5
384.11478	23.7
385.02051	0.7
385.11942	0.9
404.62762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2576
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03926	6.4
55.01869	3.6
55.05505	17.3
57.03433	2.5
57.07071	11.7
59.04982	7.9
62.23326	2.1
65.03920	2.5
67.05497	39.0
69.03426	18.5
69.07053	9.4
69.49909	2.0
69.92568	14.4
71.04983	6.0
74.12990	2.4
79.05489	33.5
81.07053	30.2
83.04958	8.3
83.08585	3.9
85.06524	6.5
91.05473	46.8
93.07038	100.0
94.07393	2.8
95.04958	35.5
95.08603	37.5
97.06533	13.6
103.05441	5.9
105.07023	91.7
107.04919	4.1
107.08587	48.7
109.06514	27.2
109.10158	22.0
111.08072	9.4
111.57659	2.2
115.05441	6.4
116.06242	3.4
117.07003	10.2
119.08577	67.7
120.09337	3.3
121.06492	19.4
121.10141	47.7
122.07253	3.1
123.08074	39.4
125.09539	2.7
128.06210	9.6
129.07039	11.4
131.08571	34.3
133.06459	8.5
133.10115	31.0
135.08049	24.8
135.11667	7.9
137.05939	3.3
137.09593	14.8
141.06964	5.1
142.07799	21.2
143.08565	32.7
144.09297	4.4
145.06496	4.1
145.10118	43.9
146.67735	2.1
147.08060	26.4
147.11682	20.9
149.09627	27.0
151.07535	43.8
153.09108	4.3
154.77164	2.2
155.08530	9.7
156.09344	7.6
157.10132	46.0
158.10786	2.2
159.08035	6.4
159.11671	21.1
160.08817	3.5
161.09615	22.4
161.13255	5.9
163.11208	6.0
165.09103	48.6
168.09210	2.5
169.10118	7.9
170.10927	6.1
171.11678	10.5
172.08765	2.9
173.09644	10.1
173.13242	9.6
175.11174	28.5
175.14809	9.2
177.09137	12.9
178.09961	2.9
181.09988	2.4
183.11687	6.7
185.13252	22.3
187.11176	7.5
187.14789	5.3
188.11961	3.7
189.12714	15.2
191.14369	3.6
192.11450	2.2
195.11696	5.1
197.13271	6.2
199.11200	6.1
201.12733	9.1
203.14316	34.4
207.11848	5.3
207.13808	17.8
209.13235	6.0
209.15353	7.8
211.14886	3.1
213.12677	5.6
215.14345	9.5
216.14890	2.5
219.13777	6.2
221.13496	3.2
221.15353	80.5
221.17546	4.4
222.15663	3.4
223.14880	6.0
225.16431	3.7
227.14378	5.3
231.13881	5.2
233.15395	9.6
234.16151	13.0
243.13741	6.6
249.16362	2.8
265.19348	2.6
271.16870	3.6
281.18881	2.9
286.19318	7.9
287.20068	11.5
299.20041	8.4
303.19543	8.5
347.23630	3.1
358.29874	2.5
365.24771	17.5
383.20847	5.0
383.25763	88.7
384.26306	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	383.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01871	3.1
55.05508	15.5
57.03424	3.1
57.07069	13.7
58.04510	1.9
59.04996	7.6
65.03921	2.8
67.05499	46.4
69.03424	14.5
69.07065	5.6
69.71089	13.4
71.04976	5.3
71.11278	1.7
77.03907	2.4
79.05485	29.9
81.03428	3.6
81.07051	41.6
83.04981	3.5
83.08604	2.8
85.06541	8.0
87.31050	1.7
87.62849	1.8
89.06042	2.6
91.05475	45.5
93.07034	100.0
95.04963	26.1
95.08034	1.4
95.08594	39.1
96.07462	2.0
97.06525	11.4
103.05502	2.6
105.07023	77.3
106.07343	3.3
107.04950	3.1
107.08582	43.3
109.06506	20.8
109.10139	30.2
111.08024	9.5
115.05435	4.4
116.06222	2.6
117.07027	10.1
118.19069	1.9
119.08564	52.3
120.09378	2.6
120.13844	2.3
121.06487	17.9
121.10138	45.1
122.09632	3.9
122.76620	1.9
123.08069	32.7
123.11679	2.7
128.06221	6.5
129.07014	10.2
130.07805	3.7
131.08565	31.5
131.48323	1.8
133.06483	7.4
133.10115	25.7
135.08047	23.8
135.11723	3.7
137.06044	2.8
137.09605	15.0
141.06975	3.5
142.07773	19.4
143.08543	23.7
144.09296	3.9
145.06470	3.8
145.10117	38.8
146.07217	2.2
147.08028	29.6
147.11685	16.5
148.08783	4.7
149.09602	29.2
151.07533	40.2
153.09088	3.0
155.08533	7.6
156.09357	8.7
157.10117	38.3
159.08040	8.3
159.11703	11.9
160.08815	3.7
161.09612	18.4
161.13237	5.3
163.11186	7.9
165.09099	49.1
167.08450	2.0
167.10612	2.0
168.09334	4.1
169.10127	8.2
170.10904	7.3
171.11708	9.3
173.09622	10.8
173.11661	5.7
173.13060	9.3
175.11145	24.2
175.14810	4.8
177.09085	10.3
178.07922	2.0
178.09792	3.5
179.08609	5.1
179.10684	2.9
180.09224	1.8
181.10104	2.5
183.11693	3.7
185.09561	4.6
185.13222	15.6
187.11163	6.4
187.14807	3.8
189.12697	11.7
191.10815	1.8
191.14267	3.3
195.11665	3.8
197.13289	4.2
199.11153	4.5
199.14732	1.9
200.11766	2.1
201.12709	9.3
203.12445	2.9
203.14299	34.2
204.14603	2.2
207.11952	3.3
207.13815	13.2
209.13226	4.8
209.15253	3.4
211.11253	3.4
211.14700	2.8
213.12811	4.6
215.14282	7.6
216.15147	3.5
217.12276	2.6
219.11719	3.4
219.13808	8.8
221.15338	77.7
222.15729	3.4
225.12802	3.2
225.16336	4.4
227.14215	3.0
231.13905	3.0
233.15382	6.6
234.16162	13.3
239.17841	3.0
263.18039	2.7
274.19357	3.7
286.19278	3.6
287.20026	8.1
299.20020	3.5
303.19601	8.2
309.18417	2.4
327.21619	3.6
347.23492	4.7
365.24646	9.5
366.25073	2.6
383.25745	58.8
384.26440	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.0
55.01855	3.7
55.05293	1.4
55.05503	14.3
57.03421	2.3
57.07072	13.2
59.04977	4.6
61.53437	1.4
65.03927	2.8
67.05499	39.3
69.03421	16.3
69.07059	9.4
71.04983	8.8
79.05483	28.2
81.03384	2.6
81.07044	34.4
83.04955	6.6
83.08600	4.6
85.06522	7.0
91.05473	44.3
93.07036	100.0
95.04962	29.4
95.08598	39.7
97.06522	13.5
98.20739	5.0
103.05405	2.5
105.04516	1.6
105.07018	78.9
107.04943	3.2
107.08585	43.7
109.06508	28.8
109.10144	29.6
111.08068	11.3
115.05433	2.6
117.07009	11.0
119.08569	55.6
120.09360	3.8
121.06495	13.8
121.09316	2.6
121.10138	40.8
122.07258	3.3
123.08055	33.4
123.11658	2.4
128.06181	6.8
129.07016	12.8
129.17670	1.5
130.07762	4.3
131.08557	27.4
133.06522	7.5
133.10110	34.0
135.08043	21.4
135.11694	5.8
137.05931	4.5
137.09576	14.6
141.06956	5.0
142.07765	23.5
143.08533	19.8
144.09280	5.0
145.06483	2.7
145.10110	30.0
146.07248	2.8
147.08020	26.0
147.11652	17.8
148.08826	2.9
149.09615	22.2
151.07530	44.4
153.09079	2.9
155.08551	9.3
156.09334	11.5
157.10106	37.6
159.08057	8.6
159.11690	16.2
160.08818	3.7
161.09604	21.4
161.13258	7.9
163.11209	7.9
165.06978	2.8
165.09097	45.2
167.08546	3.0
168.09227	1.9
169.10063	7.3
170.10858	6.6
171.08095	1.8
171.11667	7.1
173.09581	10.4
173.11775	3.7
173.13161	8.4
174.10452	2.5
175.11169	20.2
175.14833	11.3
177.09096	11.6
179.08452	2.8
180.09369	2.2
181.10081	3.2
182.10892	2.7
183.11668	7.2
183.13268	1.6
185.09583	3.9
185.13272	17.1
187.11156	5.6
187.14816	5.1
188.11986	2.0
189.12704	13.3
191.14272	3.1
193.10100	3.1
194.10838	2.1
195.11617	4.9
197.13246	5.4
199.11139	4.1
199.14810	2.9
200.11891	1.6
201.12779	10.1
203.14323	33.2
206.71477	1.5
207.11862	3.8
207.13771	15.6
208.12355	2.1
209.13231	3.5
209.15289	4.5
211.11115	2.5
211.14894	3.6
213.12769	4.8
215.14296	5.5
216.15080	2.3
217.12296	2.2
217.15848	1.9
219.13773	6.0
221.13403	3.3
221.15331	80.0
222.15759	1.9
223.14792	1.8
225.12614	2.2
225.16313	2.9
227.14233	3.9
231.13748	2.5
233.15369	6.3
234.16039	8.8
234.18243	1.8
235.16917	2.0
237.14746	2.5
241.15938	1.9
243.13782	3.0
265.15936	2.4
269.18982	1.6
271.16907	1.9
281.18985	2.4
286.19281	4.9
287.20184	9.5
299.20059	6.2
303.19617	7.4
309.18607	3.0
347.23480	1.8
365.24750	11.4
383.20428	4.0
383.25699	57.9
384.26120	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	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03933	5.5
53.86777	2.4
55.05511	16.8
57.07081	14.1
59.04996	5.1
65.03925	5.7
67.05166	2.6
67.05503	32.6
69.03420	14.5
69.07043	8.8
69.90131	4.8
69.90538	10.9
71.04985	6.2
79.05486	27.1
81.07056	33.5
83.04956	5.8
83.08604	4.9
85.06536	3.4
91.05473	44.8
93.07035	100.0
95.04964	27.8
95.08596	37.8
97.06530	12.4
103.05480	2.9
105.07025	75.3
107.08592	39.1
109.06509	21.7
109.10162	24.0
111.08062	13.0
112.55627	2.6
115.05436	5.5
117.07040	12.6
119.08569	54.8
120.64657	2.7
121.06506	15.7
121.10141	38.1
123.08067	28.9
123.11680	4.7
128.06215	8.9
129.07039	14.2
130.07756	3.9
131.08549	29.0
133.06459	7.9
133.10112	32.5
135.08054	19.4
135.11650	6.9
137.09599	14.5
141.06924	5.5
142.07758	19.8
143.08578	22.8
144.09309	3.9
145.06459	2.8
145.09045	3.7
145.10118	40.9
146.10593	2.6
147.08043	28.1
147.11687	16.2
149.09586	17.0
151.07538	41.9
155.08505	8.9
156.09355	6.2
157.10129	39.3
159.08028	10.4
159.11684	18.1
160.08777	4.5
161.09593	22.7
161.13213	8.6
163.11205	8.4
165.09097	42.0
169.10069	5.4
170.10855	5.0
171.11630	9.5
173.09579	8.0
173.11847	3.4
173.13252	8.2
175.11166	18.9
175.14810	7.6
177.09081	10.3
179.08482	3.7
179.10583	3.3
182.10957	3.8
183.11671	8.4
185.13240	17.7
187.11194	5.0
187.14764	3.6
189.12709	10.4
191.14302	4.8
197.13274	3.3
199.11176	4.5
201.12735	6.7
203.14307	31.0
207.11754	2.8
207.13828	8.2
209.13301	5.1
209.15288	5.5
213.12704	5.1
215.14272	4.1
219.13954	3.1
221.15338	79.0
222.15723	4.7
223.14787	2.8
227.14285	5.3
231.13766	3.7
233.15378	4.2
234.16107	10.2
243.13795	4.6
286.19122	6.7
287.20074	8.5
299.19983	5.7
303.19543	7.9
309.18301	4.2
317.66342	2.9
347.23532	4.4
359.11530	2.9
365.24655	8.8
383.20322	30.3
383.25671	59.3
384.20581	3.6
384.25809	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	383.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01870	4.7
55.05511	14.1
57.03410	2.5
57.07070	11.5
57.07304	1.8
59.04992	8.7
62.15428	1.6
65.03939	4.3
65.81006	1.9
67.05497	58.0
69.03426	14.7
69.07063	9.2
71.04971	5.8
74.17089	1.7
79.05484	32.9
81.03411	2.5
81.07053	36.5
83.04970	5.9
83.08585	4.0
85.06522	10.1
85.41197	1.6
91.05472	51.0
93.07036	100.0
95.04968	31.3
95.08598	41.2
97.06530	12.9
103.05480	3.5
105.07023	79.8
107.04980	3.3
107.08588	43.1
109.06519	30.4
109.10148	36.6
109.10893	1.7
111.08077	11.7
115.05424	5.0
117.07015	15.3
119.08570	59.7
120.09361	3.1
121.06496	16.1
121.10138	45.6
121.11002	2.8
123.08054	32.6
123.11647	2.5
125.09574	2.3
128.06219	7.0
129.06995	11.9
130.07805	4.6
131.08568	29.0
133.06487	6.9
133.10117	30.7
135.08037	25.5
135.11682	7.6
137.05991	3.3
137.09607	12.1
141.07024	4.2
142.07785	21.5
143.08559	24.1
144.09340	3.2
145.06451	2.7
145.10115	36.9
146.07256	2.5
147.08034	30.4
147.11685	15.3
148.08784	5.1
149.09598	30.0
150.10320	2.6
151.07539	39.9
153.07111	1.9
153.09108	4.2
155.08548	6.2
155.10678	1.8
156.09349	9.5
157.10115	44.1
159.08078	8.7
159.11646	17.8
160.08856	4.2
161.09624	23.1
161.13242	9.3
163.07632	2.0
163.11171	10.1
165.09096	52.0
167.08571	3.4
168.09300	2.8
169.10143	8.5
170.10930	5.6
171.11661	9.6
173.09625	10.3
173.11725	7.5
173.13289	10.2
174.10301	2.0
175.11160	20.9
175.14803	10.9
177.09091	14.7
178.09871	2.2
179.08553	3.1
181.10117	2.9
181.12230	2.5
183.11693	5.4
185.09557	3.7
185.13234	20.9
186.10356	2.0
187.11191	3.6
187.14778	4.4
189.12723	13.3
191.14249	2.8
193.10239	3.0
195.11632	3.8
197.13257	5.2
199.11162	4.2
201.12694	9.0
203.14310	33.1
207.11850	3.5
207.13823	14.3
209.09531	2.1
209.13295	3.8
209.15321	5.0
211.11186	4.1
213.12752	4.3
215.10593	2.1
215.14334	7.3
216.15112	4.0
219.13873	5.6
221.15338	90.1
222.15732	2.8
223.14757	2.5
225.12823	3.6
227.14345	4.3
229.12402	2.0
231.13829	4.4
233.15433	6.3
234.16161	16.1
239.14319	2.2
239.17912	2.6
243.13847	3.2
249.16431	2.0
256.64941	1.7
257.15457	2.6
269.18939	2.0
274.19244	2.0
279.17365	2.4
281.19040	4.8
286.19308	4.6
287.20074	7.2
299.20038	8.0
303.19547	11.3
309.18637	3.6
347.23615	2.9
365.24622	12.0
383.25748	76.6
384.26154	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	383.2576
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.02364	3.5
53.03929	5.0
55.01861	3.4
55.05506	20.5
55.58074	2.2
57.07062	11.1
58.38908	2.3
58.67938	2.3
59.05011	4.8
62.19246	2.6
65.03944	6.0
67.05499	46.1
69.03423	15.1
69.07066	8.0
70.86537	6.2
71.04982	6.5
72.71603	2.8
79.05489	32.9
81.07040	36.4
83.04967	9.2
83.08607	5.6
84.50768	2.6
85.06504	6.3
91.05467	51.1
93.07032	100.0
94.07373	3.4
95.04946	36.1
95.08600	40.8
97.06541	15.3
103.05471	3.0
105.07024	91.2
107.08587	42.4
109.06513	26.5
109.10135	32.3
111.08083	11.1
113.09698	3.2
115.05492	3.2
116.06268	4.3
117.07011	16.1
119.08569	57.1
120.09319	3.0
121.06491	12.8
121.10127	48.5
123.08060	36.2
128.06227	9.5
129.07039	13.2
130.07758	3.9
131.08546	35.4
133.06490	7.5
133.10129	33.8
135.08049	24.0
135.11678	7.8
137.05952	3.9
137.09615	11.4
141.07056	6.4
142.07771	21.0
143.08563	24.6
144.09337	7.1
145.06566	2.9
145.10101	50.7
146.07379	4.1
147.08028	29.0
147.11674	21.3
148.08801	6.2
149.09619	24.9
151.07541	40.3
153.09016	3.4
155.08556	6.3
156.09323	11.1
157.10114	41.8
159.08092	9.8
159.11671	16.7
160.08917	3.3
161.09610	25.1
161.13268	9.6
163.11200	7.7
165.07069	4.4
165.09108	38.6
168.09366	3.6
169.10069	6.4
170.10956	7.0
171.11679	11.8
173.09621	14.2
173.11830	5.7
173.13268	11.9
175.11182	26.1
175.14882	8.5
177.09109	16.4
179.08514	3.3
181.10072	3.8
182.11102	3.6
183.11745	7.4
185.09572	2.8
185.13255	21.0
187.11200	6.5
187.14828	3.6
189.12711	14.1
191.14291	4.2
195.11780	7.8
197.13354	7.6
199.11214	4.8
199.14885	4.2
201.12746	9.1
203.14336	31.1
204.14851	2.6
207.11838	5.1
207.13840	15.3
209.13261	6.9
209.15404	5.4
213.12769	4.3
215.14348	9.4
219.11916	3.3
219.13885	6.0
221.13319	3.4
221.15329	65.4
223.14766	4.6
227.14273	8.0
231.13828	6.7
233.15396	7.8
234.16193	9.8
241.15756	2.8
243.13969	2.9
269.18948	3.3
278.84323	2.8
281.18997	6.4
286.19373	6.4
287.19955	15.1
299.20123	6.2
303.19604	6.6
309.18427	6.1
347.23544	3.7
365.24756	12.8
383.25818	93.1
384.26270	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	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.05508	11.8
56.78093	2.0
57.07069	11.7
59.04991	7.6
65.03939	3.3
67.05161	3.5
67.05502	39.4
67.05866	2.5
69.03428	13.8
69.07066	6.7
69.34864	18.0
71.04984	8.4
79.05485	28.4
81.07053	36.0
83.04967	7.1
83.08613	5.2
85.06544	5.1
91.05470	39.2
93.07035	100.0
95.04951	25.3
95.08597	42.0
97.06518	13.3
97.07050	2.0
97.10228	2.1
103.05480	3.1
105.07022	78.3
107.04968	4.9
107.08578	40.7
108.05720	2.4
109.06498	25.9
109.10150	30.8
109.59077	1.7
111.08082	11.6
115.05479	3.0
117.07001	10.5
119.06004	2.4
119.08568	57.4
120.09418	2.4
121.06493	13.5
121.10129	41.9
122.07263	2.6
123.08060	31.5
123.11671	2.6
128.06175	8.8
129.06995	11.7
130.07808	5.2
131.08571	26.8
133.06500	6.3
133.10121	31.4
135.08047	26.3
135.11694	4.7
137.09610	11.7
141.07011	6.0
142.07767	22.9
143.08553	24.2
144.09261	3.0
145.06523	3.0
145.10118	33.2
146.07280	3.5
147.08047	29.0
147.11667	13.3
148.08849	3.7
149.09605	22.9
151.07533	40.0
151.08649	3.2
153.06950	1.9
153.09177	3.1
155.08575	8.2
155.10680	2.7
156.09351	9.3
157.10115	39.2
158.10732	2.3
159.08067	6.5
159.11702	19.3
160.08705	4.3
161.09610	18.9
161.13252	9.2
163.11122	9.4
165.09106	33.4
167.08597	2.6
169.10127	7.1
170.10928	6.6
171.11656	9.4
173.09605	10.5
173.11746	5.1
173.13293	7.4
175.11172	24.3
175.14821	4.5
177.09155	7.1
177.12936	2.0
179.10794	2.2
181.10083	3.0
183.11707	6.6
185.13234	22.1
187.11177	6.1
187.14842	3.9
189.12712	8.9
191.14372	4.0
195.11723	6.0
197.13213	6.1
199.11334	3.1
199.14827	2.6
201.12810	6.4
203.14305	30.2
204.14629	1.8
207.11987	3.1
207.13762	12.9
209.13356	3.9
209.15350	6.5
211.11174	2.2
211.14809	3.6
213.12814	5.8
215.14346	7.6
216.15050	2.3
217.12247	1.9
219.13857	4.9
221.13255	2.4
221.15334	68.4
222.15871	2.1
225.12804	5.2
225.16348	2.7
226.16992	2.2
227.14328	4.4
231.13887	2.9
233.15355	5.5
234.16132	11.5
239.14207	2.2
247.80281	2.2
263.17920	2.4
269.18781	2.4
281.18896	2.3
285.18436	2.4
286.19250	5.9
287.20154	10.0
299.20184	4.5
303.19662	5.4
309.18448	2.5
347.23810	4.7
360.20294	2.1
365.24652	12.2
383.25797	70.7
384.26364	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	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
53.78679	1.7
55.01867	14.7
55.05508	60.6
56.96552	7.2
57.03439	19.9
57.07073	3.4
59.04979	3.2
61.02925	4.2
65.03924	6.0
67.05502	100.0
69.03422	7.0
69.07066	29.8
70.06590	4.4
70.95861	2.0
71.04979	7.4
72.08147	2.1
72.93785	4.3
79.05489	61.8
81.03407	18.1
81.07052	86.2
82.06547	2.7
83.04973	24.4
83.08615	29.7
85.02906	10.1
85.06533	9.1
88.00090	1.8
90.94808	3.4
91.03934	2.0
91.05476	31.8
93.07043	45.5
95.04413	3.1
95.04961	22.3
95.08601	32.0
97.02863	5.3
97.06522	12.6
97.10165	36.3
99.04438	6.1
100.07608	2.7
100.11244	17.3
105.07027	28.2
107.04942	9.0
107.08587	31.5
109.02863	2.3
109.06511	11.3
109.09449	3.9
109.10155	51.3
111.04446	22.8
111.08099	12.2
115.05449	1.9
116.98659	2.0
117.07018	10.7
119.08570	25.9
121.06470	5.8
121.10155	17.2
123.08068	38.9
123.11705	5.2
125.06007	2.9
125.09621	34.9
129.05484	2.6
129.06963	4.6
131.08542	10.6
133.06526	2.1
133.10161	9.7
135.08086	10.8
135.08957	2.1
135.11699	11.8
137.09634	9.5
139.11189	3.1
141.11475	6.4
143.08549	4.0
143.10683	5.2
144.99414	1.9
145.10141	17.7
147.08034	7.1
147.11674	8.7
149.09587	8.5
149.13254	10.5
151.11143	2.0
153.09122	6.4
153.12729	9.7
157.10121	6.8
159.11661	5.8
161.09619	5.4
161.13242	2.2
163.11172	19.1
165.09109	5.7
165.12715	2.1
171.10245	2.1
171.11693	3.4
173.09601	4.2
173.11754	15.6
173.13147	3.3
175.11217	5.9
177.05386	1.9
179.41302	1.8
181.12212	12.2
182.15367	6.8
183.05077	2.4
184.17026	11.4
185.13280	2.9
187.11320	1.9
189.11220	38.2
189.12833	2.0
191.10635	5.0
193.12227	7.8
210.14900	10.2
211.13208	3.0
211.15108	3.1
227.12723	10.8
227.17758	4.2
229.05283	2.6
245.04741	5.8
245.18950	4.7
247.08656	2.4
266.21362	3.7
266.88882	1.8
267.06720	8.5
273.18552	17.9
285.07773	6.8
291.19528	38.6
294.20703	3.9
307.09528	2.1
308.60684	2.0
310.24426	6.4
310.74548	3.3
326.27847	2.5
347.12823	5.4
347.22159	3.6
365.14072	4.1
365.23096	7.4
380.64273	2.1
383.24048	25.3
383.28564	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20630	1.9
53.03940	7.9
55.01876	16.3
55.05507	62.5
56.96564	8.0
57.03435	30.1
59.05000	1.9
61.02924	5.5
65.03918	3.4
67.05498	76.6
69.03440	13.0
69.07063	38.3
70.06586	4.8
71.04990	13.7
71.60681	2.2
72.08159	2.4
73.02901	4.7
75.84458	2.1
79.05485	64.8
81.03416	27.6
81.07051	100.0
82.07417	2.1
83.04970	24.6
83.08613	26.1
84.04514	3.1
85.02915	15.3
85.06540	5.6
88.57273	1.9
88.88251	1.9
91.05476	38.1
93.07039	50.2
95.04963	30.4
95.08590	34.3
96.51787	1.8
97.02882	9.7
97.06524	18.9
97.10166	43.4
98.97557	1.9
99.04454	7.3
99.08079	6.0
105.03361	10.7
105.07021	29.2
107.04943	11.0
107.08588	39.2
109.06523	16.5
109.10146	31.1
111.04447	19.8
111.08069	15.0
113.05992	2.1
115.05433	2.4
115.07545	3.1
116.98573	2.5
117.07010	14.8
119.04996	2.2
119.08575	26.3
120.08069	2.4
121.06498	9.7
121.10143	22.0
123.04399	3.4
123.08051	41.6
123.11768	3.4
125.05998	2.6
125.09626	48.4
128.92473	1.9
129.06989	8.2
131.08585	19.7
133.06488	2.8
133.10127	12.4
135.08055	13.9
135.11673	15.7
137.06006	3.2
137.09621	13.4
139.11183	3.6
142.07759	2.3
143.08565	6.8
143.10663	3.4
145.06517	3.0
145.10091	19.5
146.06032	4.5
147.08054	7.0
147.11678	8.9
149.09581	12.5
149.13275	5.8
151.11179	4.5
153.01814	2.8
153.09106	7.1
153.12726	7.9
157.10133	9.3
159.08006	3.0
159.11702	8.1
161.09624	6.8
163.11188	23.0
165.09082	13.8
165.12767	2.8
171.10190	3.3
171.11649	4.8
172.07524	3.9
173.09631	7.2
173.11713	4.5
173.13141	2.2
175.11177	7.4
176.07065	2.7
177.12756	4.1
181.12202	10.4
185.09612	3.6
185.13274	4.5
187.11118	4.7
189.11201	51.7
189.12842	2.4
191.10660	10.3
193.12204	10.4
209.11725	3.1
211.13179	4.6
213.12645	2.9
221.15305	3.1
223.13298	6.0
227.12735	14.2
229.14348	2.4
245.19223	3.9
259.08453	2.0
260.09146	23.1
261.09760	4.4
263.20135	2.9
273.18469	25.3
285.10019	3.3
291.19522	54.1
297.12387	2.2
299.13925	3.0
303.11041	2.6
309.20599	3.2
327.98233	2.1
365.15689	2.3
365.23703	9.5
377.10074	2.4
383.10764	5.5
383.15826	2.6
383.24115	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	383.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39209	1.2
53.67150	1.2
57.03419	2.7
59.80348	1.3
61.02912	3.8
61.55534	1.3
69.03430	7.0
70.06586	1.9
71.58791	1.8
73.02894	2.0
81.03408	6.6
82.02927	2.1
84.08176	1.7
85.02895	25.6
87.74412	1.1
88.05901	1.2
94.06565	2.1
97.02899	7.6
99.04458	1.4
103.03943	1.9
109.02878	3.3
110.07161	3.5
114.14802	1.5
118.06546	5.7
120.08102	1.5
127.03899	3.3
130.06516	55.0
132.04448	15.3
132.08102	3.9
144.06912	1.7
144.08060	22.8
145.05135	2.1
145.07600	20.9
146.06004	10.6
148.07552	4.0
154.06512	4.3
156.08008	3.6
157.07602	54.7
158.06004	45.2
158.08249	2.1
159.09149	8.1
160.07603	3.1
167.07309	2.0
168.08102	1.8
169.07578	9.0
170.06006	3.4
170.08438	1.7
171.09178	7.5
172.07561	6.9
174.05525	6.1
175.08659	51.5
176.07109	2.3
181.07576	3.1
182.08392	3.6
183.09167	14.8
184.07591	2.0
185.07112	9.9
186.05502	3.7
186.07901	3.1
187.08633	2.8
188.07062	1.9
196.07538	1.5
197.07118	1.4
198.05522	2.3
199.08636	9.9
200.07062	15.4
203.08136	100.0
204.06554	4.1
204.08458	2.9
207.09253	1.4
209.07036	6.5
215.08188	2.0
216.06758	1.8
216.08897	3.3
217.09708	33.9
220.18532	1.2
221.09177	48.5
224.06905	1.6
227.08189	10.5
228.06567	3.9
231.07623	5.8
238.08690	2.1
245.09178	27.6
246.07613	1.6
263.10254	40.9
264.10739	1.3
269.09155	3.1
283.10681	2.1
287.10336	2.2
299.10275	6.4
329.11285	2.9
347.12320	10.8
348.10849	9.8
349.10742	1.6
365.13434	29.5
366.13596	2.1
383.14410	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	383.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62325	2.1
56.21078	2.3
56.96556	3.2
57.03434	3.0
61.02924	5.3
69.03419	10.9
69.07055	3.6
70.06583	16.1
71.58897	3.7
72.04509	3.4
72.08133	4.8
72.93797	2.7
81.03410	6.2
83.04991	3.0
84.04484	3.1
84.08141	3.9
85.02895	31.7
86.34537	2.5
91.03959	2.8
93.04482	2.6
97.02884	9.3
98.97624	4.0
99.04455	5.0
109.02892	4.0
110.07153	13.5
111.04491	2.8
115.05436	4.5
116.72791	2.8
119.04918	5.6
120.08089	4.7
127.03918	7.2
129.07040	2.9
130.06506	23.6
132.04468	7.4
132.08089	5.6
132.95847	2.8
134.06013	13.8
134.99657	2.4
136.07561	2.8
144.08076	5.6
146.05986	11.9
146.97456	2.7
147.04402	10.6
148.07588	13.3
149.01244	3.1
156.08028	3.9
157.07607	10.8
158.05991	43.2
159.06750	3.4
159.09206	3.7
160.07552	20.3
162.05493	47.7
162.07654	3.5
163.46390	2.6
164.98526	2.9
167.55283	2.5
170.06093	2.8
172.07558	12.6
174.05548	4.9
175.08682	62.8
176.07016	5.3
176.96710	3.7
184.07501	4.2
185.07071	6.6
186.05486	21.9
187.08684	2.9
188.07127	2.5
190.99988	3.1
198.05699	2.4
199.08736	3.4
200.07033	14.7
200.66316	2.9
202.08669	2.8
203.08153	8.8
204.06558	91.3
209.01135	4.1
217.09682	12.5
218.08209	3.2
218.49269	2.7
220.11821	3.2
221.09187	100.0
222.03973	7.2
228.06596	4.2
231.07707	6.0
233.09053	2.9
236.99005	2.9
239.00412	4.3
240.75624	2.5
245.09279	3.1
246.07544	19.6
252.07246	7.4
254.99947	3.2
256.99973	3.8
263.10355	16.9
299.10223	7.7
329.11252	5.4
337.13889	3.5
347.12421	8.3
348.10608	3.9
365.13535	10.1
365.18280	10.6
366.11646	12.6
383.14282	22.1
383.18762	4.1
404.43204	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	382.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98654	0.4
56.08162	0.2
56.96287	0.4
56.96563	7.8
63.12340	0.2
70.02687	0.9
70.40622	0.2
71.95274	1.1
78.49438	0.2
80.46612	0.2
87.23466	0.2
88.76191	0.2
91.09310	0.2
98.21415	0.4
98.97574	35.8
116.98611	53.8
119.01910	0.4
131.56348	0.2
134.99646	59.6
136.00011	0.4
140.00166	0.9
153.00700	15.2
158.01247	1.9
176.02313	0.5
177.00928	1.2
178.01108	0.4
179.00554	0.2
181.97379	0.5
187.44698	0.2
192.98729	0.4
216.98779	0.9
219.01958	2.7
220.02046	1.3
221.01848	0.4
222.97913	0.4
234.99889	4.3
235.99968	0.8
236.99767	0.3
240.98637	5.0
241.98737	0.3
253.00978	0.9
254.01038	0.5
258.03235	0.5
258.99768	48.9
260.00049	3.2
260.99844	0.6
261.03070	1.6
262.03061	0.6
263.02771	1.1
264.98804	0.6
267.88449	0.2
274.97739	0.4
275.97931	0.2
276.02112	0.2
277.00812	100.0
278.01019	6.4
278.04126	0.4
279.01047	1.0
282.01334	2.1
282.99927	8.1
284.00085	2.9
284.99841	0.6
286.99701	0.2
291.02194	0.3
292.99048	0.2
294.99042	0.2
295.01901	1.7
298.97653	0.3
300.02371	4.4
301.01016	21.9
301.97726	0.4
302.01151	7.4
303.00861	2.3
316.98929	0.7
317.98767	0.3
318.98856	0.3
319.02020	1.7
320.02142	0.6
323.07367	0.3
324.02628	0.5
340.02042	0.3
341.01724	0.7
359.01511	5.0
360.00134	0.4
360.99908	0.3
377.02551	2.2
378.02811	0.3
382.99719	0.8
383.03378	0.8
401.00925	7.6
402.01205	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	382.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
55.05503	3.3
56.05034	3.3
59.79748	1.3
60.04526	29.4
62.06086	1.4
65.03941	2.8
67.05504	7.9
69.03435	3.2
69.07054	3.0
69.50143	5.1
69.50574	5.2
70.02929	1.4
70.06588	19.7
71.04980	2.7
72.08158	6.4
74.06082	3.5
79.05505	6.2
81.03401	2.7
81.07050	6.2
82.06604	1.6
83.04984	11.4
83.06119	1.5
84.04507	11.3
84.08155	7.9
85.02901	4.4
86.09702	8.0
88.04030	1.4
91.05470	22.1
93.03402	1.9
93.07051	4.5
95.04975	10.0
95.06041	2.1
95.08610	4.2
96.04459	2.3
97.02906	2.3
98.06075	1.7
98.20702	1.6
101.07147	1.5
102.05504	1.5
103.05436	2.8
105.07030	1.8
107.04955	31.0
107.08609	2.5
108.05461	1.3
109.06522	1.7
109.10154	1.8
110.07170	7.0
111.04440	5.4
116.07127	1.7
116.98551	1.7
117.07001	4.2
119.04932	21.2
119.08564	10.5
120.05296	1.6
120.08094	6.8
121.02796	1.4
121.06525	4.5
123.04429	7.6
123.08111	2.2
124.03845	1.3
126.05547	3.0
127.03910	5.0
128.06169	1.3
129.05452	2.4
129.10245	3.4
130.04976	1.1
131.04926	1.9
132.05693	3.5
133.05273	1.4
133.06482	1.7
134.05998	2.3
134.09636	1.6
135.04434	1.6
136.06180	12.8
136.07553	7.6
138.10211	1.8
139.03903	2.9
145.06517	11.4
146.06026	1.8
147.04404	100.0
147.06819	6.4
147.08023	48.0
147.09219	2.3
148.04741	3.8
148.07553	7.7
149.05974	1.6
152.07100	1.4
160.07568	1.8
161.01224	1.4
162.05469	1.3
162.09135	22.8
163.03946	3.2
165.05481	1.6
166.08714	1.9
167.10597	2.3
168.97949	1.7
173.06017	5.2
175.06212	1.6
185.11711	3.1
188.07108	1.4
189.08725	2.5
190.08627	80.7
191.03429	3.0
191.07033	2.6
191.08888	2.5
203.12885	1.4
207.11258	1.3
208.09676	16.5
217.08183	2.4
220.06039	1.7
220.11830	8.9
237.12424	1.7
240.76384	1.4
250.12997	2.9
292.22678	1.7
310.23764	2.9
328.24796	2.3
346.25824	5.3
364.13907	4.4
364.26871	13.8
382.10870	2.3
382.15073	19.0
382.23175	2.0
382.28006	19.6
383.08759	1.5
383.12781	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	382.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01857	3.0
55.05503	4.5
56.05031	3.1
56.96551	2.8
57.03418	1.3
58.47025	1.0
59.09167	0.9
60.04524	10.2
61.08928	0.9
65.03944	2.4
66.12293	0.9
67.05492	3.6
68.05015	1.5
69.03417	3.0
69.07054	2.4
69.96423	5.2
70.02950	0.9
70.06590	14.8
71.04991	1.2
72.08153	7.3
73.75328	0.9
74.06100	1.4
79.05477	3.5
80.42524	0.9
81.03397	1.4
81.07040	3.2
83.04964	4.3
83.06077	4.5
84.04494	7.9
84.08134	6.6
85.02900	4.1
85.06549	1.0
86.06084	0.9
86.09696	8.4
87.00806	1.0
87.05570	1.6
87.10034	1.0
88.03995	0.8
89.03904	1.1
91.05475	17.0
93.04509	2.0
93.07049	3.8
93.64338	1.0
94.06496	1.0
95.04956	3.1
95.06078	9.3
95.08602	2.2
96.04482	2.3
97.02883	2.8
97.06508	1.3
98.06064	1.7
99.08078	1.2
100.42042	1.0
103.05469	1.3
105.07024	3.2
107.04948	24.4
107.08566	4.4
109.02859	1.5
109.06509	2.0
110.07159	54.8
111.04440	4.0
113.07116	3.3
115.05417	1.2
116.98624	1.5
117.03367	1.7
117.07009	2.9
117.09132	1.5
119.04938	22.3
119.08595	8.4
120.05311	1.2
120.08114	8.7
121.06490	3.5
121.10122	2.0
123.04408	2.5
127.03896	1.9
129.10205	2.7
130.06490	1.5
131.04942	1.1
132.05705	3.2
133.05235	1.1
133.06488	2.1
134.06010	1.2
134.09593	1.2
135.04359	1.2
136.06238	2.6
136.07561	9.7
137.05959	1.3
138.06624	1.7
141.43529	1.0
144.08073	1.2
145.02802	4.6
145.04778	1.2
145.06490	9.7
145.10139	1.5
147.04401	100.0
147.06825	5.6
147.08022	41.1
147.09207	2.3
148.04732	3.8
148.07527	9.1
149.05980	1.1
156.07683	15.7
158.99605	1.0
160.07579	2.5
161.01242	1.4
162.05486	2.6
162.09131	16.9
163.11107	1.6
164.07050	1.7
165.05434	2.0
165.06691	1.2
167.10583	1.2
169.08620	1.7
172.07562	2.1
173.05994	3.9
177.00726	1.4
177.05476	2.9
178.05815	2.9
178.08614	1.8
178.13472	2.2
188.06956	1.5
190.05064	2.5
190.08621	76.2
191.03435	2.3
191.06972	2.1
191.08754	1.0
197.38354	1.0
207.11359	1.7
208.06094	0.9
208.09679	18.7
220.09673	1.6
223.10748	6.4
223.15511	3.8
227.12704	0.9
235.10803	2.4
237.02791	1.0
251.15167	4.7
263.10126	1.3
305.18610	1.1
318.18195	1.2
320.19522	2.4
323.19675	2.7
328.16425	1.2
336.14468	2.2
336.19202	3.1
346.13702	1.2
364.14929	4.9
364.18686	2.1
364.26883	1.5
382.14948	38.5
382.19678	9.8
382.27432	9.6
383.07135	1.1
383.16415	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	381.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24867	0.7
55.05398	2.2
55.05674	1.3
55.93435	1.5
56.94205	1.5
56.96490	1.1
57.03344	1.4
59.04894	1.5
60.04418	1.7
61.02805	3.4
61.03146	0.9
65.03869	0.9
67.98177	0.7
69.03319	1.6
69.06984	0.8
69.47085	4.8
69.47491	1.3
70.06456	38.9
70.06888	9.1
70.95779	0.7
71.04850	5.3
71.05276	1.3
72.93652	5.8
72.94093	1.3
73.06432	1.2
79.05349	3.0
81.03297	1.6
81.04397	5.5
81.06906	11.9
81.07428	1.9
84.04367	0.7
84.07997	2.5
85.02747	2.9
86.09570	1.6
87.07964	1.1
90.94668	4.3
91.05331	8.5
92.05718	0.8
93.04401	0.7
97.02729	4.1
97.03854	3.2
97.07515	1.1
98.97457	1.4
101.05841	0.8
108.05442	26.8
108.06254	2.3
108.95732	1.8
109.02742	1.1
109.03902	1.5
110.07091	1.2
113.09524	1.0
114.05414	1.1
116.98482	0.9
119.04774	23.0
119.05746	2.7
120.05404	10.7
120.07972	1.2
121.07494	1.1
125.06948	3.4
127.03822	1.1
128.96342	4.6
131.04790	0.8
132.95670	5.4
136.05054	31.8
136.05983	1.9
136.07382	1.3
140.96231	0.9
142.97746	0.8
144.95636	2.8
145.02718	1.2
146.06976	1.8
146.97382	3.7
147.04401	53.6
148.04578	3.9
148.05727	1.2
150.10207	1.3
150.96910	3.7
151.12151	1.4
152.96304	3.9
154.06015	0.9
158.97394	7.0
160.08533	3.1
161.10638	1.4
162.10168	1.2
162.96898	4.0
164.04521	5.9
168.95805	3.4
170.97218	2.8
171.04201	0.8
173.10580	1.1
176.04573	4.1
176.98491	4.2
177.00639	1.1
177.05307	0.9
177.11351	19.4
177.98451	0.7
186.96814	3.4
187.09688	0.9
188.04411	1.2
188.11795	8.3
188.98326	1.0
189.05322	3.1
189.06955	0.7
190.13249	1.0
190.97798	1.3
192.99347	1.3
195.11168	1.2
196.06642	1.9
198.96771	1.9
202.97781	2.9
204.97720	1.2
205.10826	22.3
206.12917	5.0
206.97246	1.2
208.98708	0.9
209.98352	0.9
215.09288	9.3
216.11328	3.8
216.97792	3.2
216.99898	1.0
218.06148	1.3
218.12810	1.7
218.97380	6.9
220.98985	5.7
227.13730	2.5
233.10316	32.4
234.12350	3.4
234.96910	1.1
234.98965	12.4
236.98462	9.0
237.00630	1.7
237.02771	1.3
237.98671	0.8
239.13640	0.9
244.10648	3.1
245.10271	1.3
246.96884	1.0
251.11169	0.9
252.99925	1.9
257.17728	0.9
259.00482	1.0
260.98441	12.9
261.98663	0.9
264.97772	2.5
266.14862	1.4
271.00662	3.6
271.11844	1.1
271.32047	0.8
272.98434	4.4
278.99454	3.8
285.17123	8.1
286.99887	4.3
290.99390	3.4
293.92511	0.8
294.14453	0.9
302.99460	1.5
303.17996	2.2
305.01010	2.5
313.16556	61.7
314.16782	2.6
314.99475	3.4
321.00412	2.9
323.02106	0.9
331.17624	26.9
332.17770	0.8
333.00500	5.9
345.00574	5.5
347.60574	0.8
349.18646	2.2
363.01593	18.1
363.20227	100.0
364.01871	1.9
364.20438	5.1
381.02695	6.6
381.21320	32.3
381.26312	1.7
382.03085	1.1
382.21616	1.7
399.04041	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	381.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.01858	5.3
55.05513	10.2
55.93516	8.3
56.94298	5.0
56.96553	4.2
57.03432	4.9
57.07082	2.2
61.02929	2.0
65.03935	1.4
67.05218	1.4
67.05508	16.3
69.03420	3.1
69.07066	14.4
70.06572	3.8
70.50552	4.6
70.50906	1.8
70.95861	10.0
71.04974	3.8
71.92994	3.0
72.93784	27.6
79.05491	12.3
81.03400	11.5
81.07048	13.0
83.04958	3.8
83.08619	3.7
85.02891	4.9
85.06555	2.1
88.96889	8.7
90.94820	20.0
91.05484	12.8
93.07024	9.4
95.04955	10.0
95.08586	6.7
97.02863	2.7
97.06522	3.4
97.10181	3.3
103.05451	2.9
105.07018	11.7
106.97940	1.8
107.04935	5.0
107.08558	7.5
108.95844	9.6
109.06499	6.6
109.10136	6.3
111.04464	1.8
113.96426	2.6
116.96389	2.9
116.98573	1.9
117.07011	3.8
119.04955	1.8
119.08557	8.1
120.08096	1.5
121.06492	5.8
121.10126	4.7
123.08035	4.6
125.09621	2.5
126.98392	2.9
128.96346	5.7
129.06976	3.5
130.97894	2.9
131.04979	1.9
131.08542	5.3
132.95853	1.8
133.06430	1.8
133.10094	5.1
134.97415	3.9
134.99722	1.8
135.08034	2.7
135.11636	2.0
137.09615	2.8
138.98395	4.8
141.07007	1.6
142.97870	3.7
143.08504	4.1
144.95847	3.2
144.99452	5.9
145.10097	5.4
146.97401	5.6
147.08052	3.5
147.11688	2.6
148.98944	6.7
149.09576	2.8
149.13220	1.7
150.96896	3.1
151.07494	2.2
154.97824	3.9
156.99454	4.3
157.10123	3.5
158.97423	4.4
159.00912	2.1
159.08049	3.6
160.98907	3.5
161.09659	2.5
162.96922	6.5
163.00536	1.6
163.07491	2.0
163.11191	2.6
164.98524	2.8
164.99991	6.8
166.97969	3.4
168.99419	2.4
169.98997	1.9
170.97369	3.4
171.01041	1.9
171.11705	2.1
172.98959	5.7
173.09618	3.7
175.00533	2.4
176.98395	2.1
177.12772	2.1
178.97902	4.4
180.99512	4.1
182.97433	2.3
183.00891	2.8
183.98154	2.5
184.98926	5.7
187.00560	4.8
188.35591	1.6
188.92603	2.1
188.98465	2.0
189.11160	2.4
192.99461	5.4
193.03011	2.1
196.99002	2.2
199.00504	2.3
199.02176	2.4
200.98569	2.9
201.02052	2.1
201.03654	3.3
201.63318	1.6
206.22142	1.6
207.01021	4.6
208.98799	1.8
209.02693	2.1
213.02055	2.1
215.03729	1.6
217.03093	2.0
219.13850	1.8
220.98962	3.2
221.02519	3.6
223.00621	1.8
225.02029	2.4
225.10254	1.6
227.03589	2.1
229.05206	2.1
229.07385	2.3
235.00488	4.8
235.04160	3.7
238.99919	2.6
239.03687	4.1
245.04701	3.0
247.00462	1.9
249.01984	2.1
251.03525	1.7
253.05301	3.8
255.06555	2.6
257.04749	4.4
259.06268	7.0
265.04877	9.4
266.10498	1.7
267.11276	1.9
269.04550	2.5
269.09988	2.5
271.06238	24.9
275.05630	1.9
283.06213	44.0
284.06473	1.9
285.07736	3.7
289.17947	4.2
293.04691	2.1
294.08075	2.5
295.06082	2.8
297.09415	3.4
299.05737	4.5
299.10928	6.4
306.07816	4.8
311.05685	5.0
312.06335	1.8
313.07248	2.7
313.11731	4.6
327.10379	3.5
339.04886	5.9
343.09991	2.4
345.11475	26.5
363.12521	100.0
363.16641	3.6
364.12802	4.3
381.09460	7.2
381.13559	37.1
381.18109	9.3
381.23883	15.1
386.14163	4.6
404.15125	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	381.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.01858	5.3
55.05513	10.2
55.93516	8.3
56.94298	5.0
56.96553	4.2
57.03432	4.9
57.07082	2.2
61.02929	2.0
65.03935	1.4
67.05218	1.4
67.05508	16.3
69.03420	3.1
69.07066	14.4
70.06572	3.8
70.50552	4.6
70.50906	1.8
70.95861	10.0
71.04974	3.8
71.92994	3.0
72.93784	27.6
79.05491	12.3
81.03400	11.5
81.07048	13.0
83.04958	3.8
83.08619	3.7
85.02891	4.9
85.06555	2.1
88.96889	8.7
90.94820	20.0
91.05484	12.8
93.07024	9.4
95.04955	10.0
95.08586	6.7
97.02863	2.7
97.06522	3.4
97.10181	3.3
103.05451	2.9
105.07018	11.7
106.97940	1.8
107.04935	5.0
107.08558	7.5
108.95844	9.6
109.06499	6.6
109.10136	6.3
111.04464	1.8
113.96426	2.6
116.96389	2.9
116.98573	1.9
117.07011	3.8
119.04955	1.8
119.08557	8.1
120.08096	1.5
121.06492	5.8
121.10126	4.7
123.08035	4.6
125.09621	2.5
126.98392	2.9
128.96346	5.7
129.06976	3.5
130.97894	2.9
131.04979	1.9
131.08542	5.3
132.95853	1.8
133.06430	1.8
133.10094	5.1
134.97415	3.9
134.99722	1.8
135.08034	2.7
135.11636	2.0
137.09615	2.8
138.98395	4.8
141.07007	1.6
142.97870	3.7
143.08504	4.1
144.95847	3.2
144.99452	5.9
145.10097	5.4
146.97401	5.6
147.08052	3.5
147.11688	2.6
148.98944	6.7
149.09576	2.8
149.13220	1.7
150.96896	3.1
151.07494	2.2
154.97824	3.9
156.99454	4.3
157.10123	3.5
158.97423	4.4
159.00912	2.1
159.08049	3.6
160.98907	3.5
161.09659	2.5
162.96922	6.5
163.00536	1.6
163.07491	2.0
163.11191	2.6
164.98524	2.8
164.99991	6.8
166.97969	3.4
168.99419	2.4
169.98997	1.9
170.97369	3.4
171.01041	1.9
171.11705	2.1
172.98959	5.7
173.09618	3.7
175.00533	2.4
176.98395	2.1
177.12772	2.1
178.97902	4.4
180.99512	4.1
182.97433	2.3
183.00891	2.8
183.98154	2.5
184.98926	5.7
187.00560	4.8
188.35591	1.6
188.92603	2.1
188.98465	2.0
189.11160	2.4
192.99461	5.4
193.03011	2.1
196.99002	2.2
199.00504	2.3
199.02176	2.4
200.98569	2.9
201.02052	2.1
201.03654	3.3
201.63318	1.6
206.22142	1.6
207.01021	4.6
208.98799	1.8
209.02693	2.1
213.02055	2.1
215.03729	1.6
217.03093	2.0
219.13850	1.8
220.98962	3.2
221.02519	3.6
223.00621	1.8
225.02029	2.4
225.10254	1.6
227.03589	2.1
229.05206	2.1
229.07385	2.3
235.00488	4.8
235.04160	3.7
238.99919	2.6
239.03687	4.1
245.04701	3.0
247.00462	1.9
249.01984	2.1
251.03525	1.7
253.05301	3.8
255.06555	2.6
257.04749	4.4
259.06268	7.0
265.04877	9.4
266.10498	1.7
267.11276	1.9
269.04550	2.5
269.09988	2.5
271.06238	24.9
275.05630	1.9
283.06213	44.0
284.06473	1.9
285.07736	3.7
289.17947	4.2
293.04691	2.1
294.08075	2.5
295.06082	2.8
297.09415	3.4
299.05737	4.5
299.10928	6.4
306.07816	4.8
311.05685	5.0
312.06335	1.8
313.07248	2.7
313.11731	4.6
327.10379	3.5
339.04886	5.9
343.09991	2.4
345.11475	26.5
363.12521	100.0
363.16641	3.6
364.12802	4.3
381.09460	7.2
381.13559	37.1
381.18109	9.3
381.23883	15.1
386.14163	4.6
404.15125	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	381.0964
Annotation	Chinensinaphthol
Peak:m/z	Relative Intensity
51.02346	0.2
53.03926	0.3
55.01862	0.7
55.05258	0.2
55.05508	3.4
56.96545	0.2
57.03429	0.8
62.92134	0.2
65.03935	0.3
67.01830	0.4
67.05210	0.1
67.05506	1.4
68.99785	2.7
69.03416	1.0
69.07043	0.6
70.06587	2.0
71.04979	0.2
72.08138	0.2
73.78687	0.1
79.05483	1.0
81.03410	0.8
81.07053	1.4
83.04971	2.3
83.08603	0.4
84.08130	0.4
85.02875	0.6
85.06529	0.3
86.09673	0.3
91.05476	1.9
93.07025	1.2
93.58355	0.1
95.04956	1.0
95.08595	0.8
97.02872	0.7
97.06502	0.5
97.10152	0.3
98.97584	0.2
99.04413	0.2
103.05446	0.3
105.07023	1.3
107.04938	0.4
107.08566	0.7
109.02879	0.8
109.06485	0.5
109.10138	0.5
111.00790	2.1
111.04418	0.5
111.08067	0.3
115.05451	0.5
115.07493	0.2
116.00748	0.1
116.06168	0.2
117.07003	0.9
118.04131	0.2
119.04913	0.4
119.08542	0.7
120.08102	0.2
121.02809	0.2
121.06465	0.7
121.10124	0.5
123.04401	0.5
123.08022	0.4
124.01513	0.3
127.03919	0.3
128.06219	1.2
129.06993	0.7
131.04915	0.8
131.08575	1.0
133.06438	0.4
133.10092	0.6
134.99721	0.2
135.08026	0.5
135.11636	0.2
137.02327	1.5
137.05969	0.3
137.09608	0.2
139.03908	0.9
141.06981	0.9
142.07724	0.2
143.04953	0.2
143.08530	0.7
144.05667	0.6
145.02824	0.2
145.06471	1.7
145.10112	0.9
147.04388	2.5
147.07954	0.2
149.02319	0.2
149.05827	0.2
152.06203	0.5
153.01810	21.5
153.06964	1.5
153.12723	0.2
154.02209	0.2
155.06030	0.2
155.08559	0.7
157.06482	0.9
157.10095	0.3
158.03632	0.2
158.07202	0.3
159.04367	0.5
159.08052	0.8
159.11674	0.2
160.05193	0.3
160.08806	0.2
161.01077	0.2
161.02333	0.4
161.05966	0.5
161.13239	0.2
163.03896	0.3
163.11150	0.6
165.01842	5.0
165.06979	0.5
166.02548	0.2
167.08571	0.3
168.05659	0.3
169.02771	0.3
169.06465	0.6
169.10060	0.2
170.02029	0.3
171.02965	0.3
171.04391	1.3
171.08032	1.6
172.05138	0.4
173.02332	0.2
173.05975	1.9
173.09584	0.7
173.13199	0.2
175.03897	0.6
175.07521	0.2
177.05444	0.2
179.03380	0.4
179.10602	0.2
181.01338	0.7
181.06444	1.7
181.12021	0.2
182.07144	0.2
183.02892	0.9
183.07980	0.7
184.05177	1.2
185.05948	1.2
186.06657	0.2
187.03943	1.2
187.07503	1.0
188.08307	1.3
189.08987	0.3
191.03401	0.2
193.01366	0.2
195.07967	0.4
195.52272	0.1
197.05962	0.7
197.09433	0.2
198.06657	0.4
199.03899	2.3
199.07506	3.5
200.04622	0.5
200.07896	0.3
201.01834	0.2
201.05411	0.5
201.09114	0.9
204.04117	0.2
205.04564	0.2
205.08546	0.5
207.02899	0.2
209.05974	0.7
209.11600	0.3
210.06740	0.2
211.04036	0.2
211.07536	0.3
212.04636	0.5
213.01830	0.7
213.05446	0.7
213.09085	0.8
214.02409	0.2
214.06078	0.2
214.17992	0.8
215.06992	2.5
215.10568	0.3
217.04941	0.7
219.02904	0.2
221.06134	0.2
223.04062	0.2
223.07500	0.6
224.04547	0.2
225.05388	0.6
225.09045	0.3
227.03484	1.4
227.06970	4.2
227.12726	0.2
228.04102	0.3
228.07378	0.3
229.04971	0.4
229.08647	0.7
237.03203	0.2
237.05432	1.1
237.09117	0.3
239.10606	0.2
240.04152	0.4
241.04903	0.6
241.08607	1.3
242.05716	1.4
243.06412	0.3
245.04396	0.3
249.05411	0.2
250.06331	0.3
251.06923	0.6
253.04881	1.0
255.06509	3.9
256.06738	0.2
261.09158	0.2
263.06973	0.3
264.07849	0.3
265.04977	0.7
265.08478	0.4
266.05576	0.3
267.06418	0.3
268.03827	0.2
269.04413	4.8
269.07983	1.2
270.05170	2.6
271.05899	0.7
271.16992	0.2
273.03976	0.3
275.07263	0.2
277.04913	0.2
278.05670	0.5
279.06488	0.6
279.10010	0.5
281.04425	0.6
282.05157	0.5
283.06027	1.7
283.15445	0.3
285.03860	0.7
289.08478	0.3
289.17966	0.4
291.06448	0.4
292.07169	0.5
293.04507	0.3
293.07990	0.4
294.05048	0.2
295.05939	1.2
296.03311	0.2
296.06650	0.4
297.03864	1.9
297.07507	0.8
298.04703	2.0
299.05466	0.7
303.06506	0.3
306.05145	0.7
307.05927	1.1
307.09570	1.7
309.04126	0.3
309.07568	0.5
311.05490	3.6
311.08835	0.2
313.03360	1.2
317.08115	0.5
319.05902	0.4
320.06680	0.4
321.03909	0.4
321.07501	0.4
323.05414	0.8
323.08972	0.3
324.06192	1.5
324.09717	0.3
325.03381	0.7
325.07016	0.3
325.10574	0.9
326.04205	1.3
327.04977	3.7
334.04868	0.8
335.05386	0.2
335.09125	2.6
337.03281	0.3
337.07004	2.1
338.04041	0.4
338.07648	0.3
339.04950	5.6
339.08511	0.2
340.05496	0.5
348.06076	0.5
349.06909	0.2
351.04990	0.2
352.05533	0.2
352.09451	0.7
353.10199	2.1
363.08612	1.5
365.06512	0.3
366.07318	2.0
381.09637	100.0
382.10034	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	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91362	4.4
66.06340	4.0
71.50403	10.4
107.70942	4.3
142.84709	5.2
188.92947	4.1
195.74106	4.6
381.03421	7.2
381.07932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0965
Annotation	Preussomerin EG3
Peak:m/z	Relative Intensity
53.03929	0.6
55.01869	1.2
55.05498	1.9
56.96547	0.9
57.03412	1.4
67.01852	1.9
67.05508	2.5
68.99781	4.9
69.03414	3.2
69.07056	1.8
70.06576	2.0
71.04972	1.1
72.08175	0.5
79.05489	2.0
81.03394	1.6
81.07053	2.7
83.04964	1.2
83.08601	1.0
84.08137	0.7
85.02895	1.7
85.06534	0.6
86.06050	0.5
86.09685	0.6
89.80447	0.4
91.05478	2.0
93.07038	2.6
95.04948	1.4
95.08626	2.0
97.02881	1.8
97.06527	1.5
97.10170	0.5
98.20717	1.3
99.04452	0.6
103.05438	0.4
105.07037	2.5
107.04915	0.7
107.08578	1.6
109.02878	1.2
109.06503	1.2
109.10136	0.9
110.07191	0.5
111.00768	1.4
115.05440	0.9
117.07030	1.0
119.08562	2.0
120.08108	1.3
121.02779	0.6
121.06529	0.7
121.10128	1.0
123.04425	1.0
123.08037	0.9
125.09575	0.6
127.03912	0.9
128.06192	0.9
129.06998	1.2
131.04883	0.7
131.08568	1.0
133.06494	0.6
133.10121	0.9
135.08066	0.6
136.06247	0.5
137.02298	0.5
137.05951	1.0
137.09599	0.7
139.03918	0.5
141.06993	0.9
143.08546	1.1
145.06491	1.1
145.10161	1.2
147.04396	1.7
147.08040	0.5
149.05922	0.4
149.09608	1.0
152.06158	0.9
153.01816	100.0
153.06949	4.3
154.02151	1.0
155.04916	0.8
155.08545	1.7
157.06439	1.0
157.10103	1.1
159.08054	0.7
160.05185	0.5
161.06010	0.7
165.01781	3.0
165.06970	0.8
165.09152	0.7
169.06500	0.7
171.02995	2.1
171.04315	0.8
171.08093	1.0
173.06009	2.9
173.09587	1.0
173.13142	0.8
175.03880	0.8
175.07556	0.5
177.05531	0.7
179.03360	0.6
181.06491	4.2
181.10233	0.5
183.02834	0.6
183.04456	0.6
183.08022	1.6
184.05176	1.5
185.05968	1.2
186.06813	0.6
187.03851	0.8
187.07584	1.7
188.08203	0.8
189.05331	0.4
193.93326	0.4
195.07999	0.7
197.05916	0.8
199.03889	1.0
199.07478	3.3
200.04675	2.9
201.05486	1.3
201.09032	2.1
203.03456	1.0
203.06998	1.1
209.05936	1.3
211.07536	1.7
212.04652	1.2
213.05505	1.3
213.09035	0.6
215.03583	0.7
215.07004	1.2
216.07603	0.5
217.04868	0.6
221.06055	0.4
223.07489	0.9
225.05367	0.8
227.03441	1.2
227.06976	6.0
228.07742	0.7
229.05026	0.8
229.08551	6.7
229.10585	0.7
231.06529	0.5
237.00726	0.7
237.05399	2.1
240.04276	0.7
241.05008	0.7
241.08633	1.3
243.06601	1.0
250.06203	1.0
251.06993	1.5
253.04822	0.9
255.06503	25.9
256.06985	1.0
265.04938	1.7
266.05695	0.6
267.06543	1.4
269.04480	1.1
269.08179	2.0
270.05231	0.7
273.03986	2.5
277.04929	1.0
278.05615	1.6
279.06567	3.2
279.09369	0.5
281.04376	0.8
281.07947	0.8
282.05264	3.2
283.06067	2.0
283.09219	0.4
285.03931	6.9
289.08722	0.5
289.17828	0.8
291.06470	2.2
292.07230	1.1
293.04504	1.1
293.07861	0.6
294.05252	0.8
295.05981	4.8
296.06754	1.0
297.04181	0.9
297.07596	1.8
298.04761	3.4
299.05423	0.8
303.06613	0.7
305.04700	0.6
305.08023	0.5
306.05270	2.0
306.08273	0.5
307.05997	2.2
307.09680	2.4
309.07471	1.4
310.04742	2.1
311.05548	13.9
311.09131	2.0
313.03452	1.3
313.07062	5.8
317.08066	1.5
319.06073	1.7
320.06738	1.3
323.05533	7.5
323.08981	0.7
324.06244	5.8
325.03400	0.4
325.07047	8.5
325.10641	1.5
326.04126	0.5
327.04929	1.8
334.04712	2.3
335.05444	2.5
335.09189	5.1
337.07022	10.7
337.11050	0.7
338.07785	1.2
339.04962	3.3
339.08661	1.3
348.06213	1.9
351.04922	1.3
351.08743	0.9
352.05521	1.8
352.09473	3.9
353.06409	1.4
353.10144	12.4
358.98560	0.8
363.08682	7.0
376.99323	0.5
380.15106	0.5
381.09659	77.1
382.10144	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	380.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73370	0.8
63.00804	0.8
67.05483	2.5
69.07072	1.2
69.97748	3.8
69.98167	1.6
70.06597	2.3
70.23894	0.8
72.08160	1.5
76.64169	0.9
79.05476	2.0
81.03403	2.9
81.07043	3.6
83.04981	0.9
84.08118	1.3
85.02898	2.9
86.06059	1.0
86.09695	3.3
88.85880	1.0
91.05477	1.7
93.07059	1.0
95.08620	1.8
97.02892	1.6
97.06508	1.1
98.21394	1.4
105.07028	1.4
107.08542	1.0
109.10143	2.9
110.03485	0.9
111.04482	1.1
119.08556	1.5
120.08113	1.5
121.10102	1.4
128.04565	1.1
128.14388	1.0
131.08531	1.1
135.03030	2.7
136.07553	4.7
137.05765	3.5
137.09631	4.2
138.08894	5.3
138.10249	1.5
152.05659	71.6
153.04079	9.7
159.26236	0.9
165.09123	3.7
167.10448	5.3
181.08351	2.9
182.15279	1.0
190.07230	2.3
193.12262	1.2
207.11205	1.3
211.94437	0.8
248.12605	3.5
252.15691	69.5
253.16194	2.4
266.13626	19.2
295.15250	2.1
300.96793	0.9
334.04810	1.0
362.18353	9.6
380.20392	100.0
381.09827	1.5
381.20889	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44239	0.7
55.05495	2.5
55.93513	3.0
56.94288	3.8
59.04984	1.5
60.04505	2.7
61.02917	2.9
62.94330	0.6
65.03912	1.2
69.03420	3.6
69.92352	1.1
69.92757	3.7
70.06586	24.9
70.95851	2.1
71.04995	3.6
72.08148	1.4
72.42941	0.7
72.93779	11.4
74.95337	0.8
77.20454	0.7
79.05484	1.9
81.03406	3.2
81.04536	2.4
81.07043	6.2
84.08136	1.9
85.02890	3.4
86.09682	2.1
88.96877	1.2
89.03905	0.8
90.94817	7.4
91.05476	15.3
93.07016	1.0
97.02890	7.1
97.04000	2.1
97.26865	0.7
98.20729	1.1
98.97547	1.1
99.04453	0.8
102.51429	0.7
103.05505	0.8
106.08520	0.7
108.05593	12.7
108.95867	1.5
109.02873	1.1
109.03996	0.9
110.07114	1.4
116.96357	0.6
116.98627	0.8
119.04939	37.9
120.05618	5.8
120.08078	1.2
124.04213	0.7
125.07121	1.7
128.96338	9.6
129.10236	0.8
130.97856	0.7
131.04921	1.3
132.95822	7.0
134.97404	1.0
136.05049	12.9
136.07616	1.0
136.95314	1.1
137.05898	0.7
140.96368	0.8
142.97862	1.3
144.95799	5.7
145.26738	0.7
146.97359	5.2
147.04398	100.0
148.04771	2.5
150.96893	5.1
152.96315	7.1
155.04689	1.0
155.97414	0.7
156.95753	1.0
158.97401	10.5
160.08737	1.4
160.27534	0.6
162.96854	6.1
164.04581	2.4
166.97868	0.9
168.95818	5.6
170.97386	5.9
171.04440	0.9
174.96960	1.6
174.98421	1.5
176.04610	1.3
176.98436	7.3
177.11320	7.0
178.97818	0.9
186.96910	5.2
188.11804	3.5
188.98361	1.1
189.05490	3.2
190.97884	2.2
192.99460	2.3
194.97379	1.0
196.06706	0.9
196.99037	1.0
198.96933	3.2
201.10298	0.8
202.96387	0.6
202.97928	5.3
204.97885	1.1
205.10832	10.3
206.12836	2.1
206.97314	1.7
208.98996	2.4
211.00479	1.2
212.98392	0.9
215.09244	3.2
216.11354	1.3
216.97940	5.5
218.06255	2.1
218.97369	13.3
219.11298	0.8
219.97697	0.8
220.98959	9.4
222.96832	1.0
224.98442	1.9
227.13857	1.1
233.10329	13.8
234.12399	1.8
234.96625	1.2
234.98959	22.6
236.98431	16.3
237.00519	0.7
244.10797	1.5
244.98962	0.9
246.96857	2.1
252.97862	1.5
253.00058	4.2
256.98935	1.3
259.00540	1.6
260.98438	20.4
262.99933	0.7
264.97833	4.8
271.00522	7.4
272.98383	8.8
278.99533	8.9
285.17075	2.9
287.00049	7.6
287.85931	0.9
290.99451	5.3
302.99515	4.3
305.01086	6.1
313.16605	26.3
314.99460	6.1
321.00461	4.8
323.02042	1.2
331.17609	12.0
333.00540	10.0
345.00467	8.4
362.96970	1.6
363.01593	31.3
363.20218	49.7
364.02014	1.1
381.02631	13.8
381.21338	13.6
399.04123	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	380.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91505	0.9
53.03930	1.2
55.01858	1.6
55.05489	1.0
57.03417	1.2
60.04540	1.0
66.69288	0.9
67.05481	4.1
69.03414	2.5
69.07057	2.0
69.47938	2.8
69.48349	5.0
70.06575	6.0
71.04984	1.7
72.08141	3.3
79.05478	1.2
81.03403	4.9
81.07037	4.8
83.04960	1.0
84.08153	2.4
85.02917	1.1
85.06542	1.1
86.06039	1.1
86.09695	4.0
91.05452	3.7
92.61752	1.2
93.07022	2.4
95.08586	2.9
97.02898	5.5
97.06519	2.1
98.20688	1.1
99.04436	2.3
103.05480	1.5
107.08597	1.3
109.02853	8.7
109.10133	12.7
119.08557	2.2
120.08099	3.0
122.05997	1.4
125.06024	1.1
127.03914	6.5
131.04913	1.7
136.07555	2.7
137.04100	1.1
137.05826	3.5
137.09595	23.4
138.05537	1.1
138.08904	4.3
145.04970	1.2
152.05652	1.6
153.01830	1.3
155.10651	2.4
164.06969	1.2
165.09105	20.6
167.10428	5.0
181.08308	4.9
183.10202	3.1
201.11227	4.4
207.11163	1.5
234.14481	1.1
248.12598	6.7
252.15685	54.0
253.15945	1.5
259.05685	1.0
266.13663	24.2
270.05029	0.9
295.15216	2.3
309.13190	1.4
326.02393	1.2
327.14264	4.7
345.15549	2.2
362.19553	1.4
380.20407	100.0
381.09775	4.0
381.20645	5.7
383.26392	1.1
393.08209	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	380.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14977	0.7
53.03939	1.2
55.01859	2.7
55.05480	1.2
55.93518	1.0
56.05014	1.1
56.94294	1.0
56.96545	1.2
57.03421	0.9
60.04517	5.6
65.03931	1.2
67.05487	1.4
69.03401	2.3
69.07064	1.7
69.81194	3.6
69.81602	1.3
70.06584	8.7
70.95836	0.7
71.04979	0.9
72.08149	8.3
72.93781	3.7
74.06071	1.2
79.05466	2.6
81.03408	2.0
81.07047	10.0
84.04508	1.8
84.08144	5.4
85.02883	4.9
86.09695	3.0
87.05502	0.8
88.93214	0.8
90.94825	3.1
91.05471	8.2
93.07034	1.7
95.04975	1.8
96.05562	1.0
97.02875	3.1
97.06501	0.9
103.05440	1.3
105.07047	1.0
107.04962	2.0
108.95823	1.0
109.02890	1.2
109.06511	5.8
110.07143	3.2
111.04425	0.8
115.05413	0.9
117.03391	0.8
117.06931	0.9
119.04922	14.8
120.05238	0.8
120.08094	17.2
126.09225	0.7
127.03848	1.3
128.96339	1.8
129.10223	1.9
132.04480	0.9
132.95837	2.1
133.06447	1.0
134.99677	1.2
135.08012	0.7
136.07584	2.2
137.05963	100.0
138.06303	1.9
138.10214	2.7
144.95822	2.8
145.06447	1.0
146.05998	2.4
146.97383	2.7
147.03206	1.9
147.04391	38.7
148.04723	1.8
150.96883	1.9
152.96326	1.5
157.06619	0.8
158.97385	2.9
160.07503	4.0
162.05391	1.0
162.09167	2.3
162.96890	2.5
163.03882	1.2
168.95842	1.9
170.97400	1.6
171.04408	1.5
176.98463	3.0
183.06506	47.6
183.10088	1.7
184.06856	1.5
186.96899	1.3
188.07040	9.2
189.05495	1.2
190.97937	0.9
202.97949	1.4
206.08096	5.5
208.99037	1.2
216.97914	2.1
218.97418	2.7
219.14920	6.2
220.98923	1.7
221.05615	1.4
233.02657	1.6
234.03140	1.1
234.98990	7.0
236.98457	4.6
237.02747	0.8
247.14513	1.9
253.00076	2.1
259.97748	0.9
260.98453	5.5
264.97986	1.4
271.00516	1.1
272.98441	3.0
278.99512	3.2
281.13666	0.7
286.99973	2.8
290.99442	2.0
301.01416	0.8
305.00919	2.0
314.99432	2.2
321.00507	1.3
333.00558	3.2
344.23944	1.2
345.00494	2.3
362.18170	1.8
362.25449	2.0
363.01559	10.5
380.13425	4.4
381.02600	5.2
399.03735	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.0
55.05511	3.7
56.05016	2.1
56.96549	1.2
58.06550	0.9
60.04517	7.5
65.03929	1.5
67.05482	3.1
68.99763	0.9
69.03413	2.8
69.07044	0.9
70.06248	1.1
70.06590	16.5
71.00235	1.6
71.00576	0.9
72.08149	15.5
72.32024	0.7
72.97791	0.7
73.06521	1.1
73.97644	0.7
74.06061	1.1
79.05476	1.9
81.03395	0.7
81.07036	1.0
82.06575	0.9
82.91193	0.6
83.04974	5.9
84.04501	3.7
84.08136	11.7
85.02894	2.8
85.08492	0.7
85.56407	0.7
86.09711	4.4
89.03895	1.6
91.05456	7.1
93.03378	1.2
93.07030	1.2
95.04967	6.2
95.08612	1.3
96.08138	0.9
97.02884	1.7
99.05688	0.7
101.05978	1.4
102.05534	1.2
103.05437	2.2
105.06997	2.3
107.04932	4.1
110.07153	1.9
110.64283	0.6
111.04408	5.2
112.08736	0.8
115.05425	4.0
116.07055	1.4
117.03387	4.0
117.05779	0.8
117.07037	2.6
118.06537	2.1
119.04932	7.8
119.07310	0.8
119.08530	0.8
120.04434	0.7
120.08118	7.6
121.02826	0.8
121.06512	1.1
127.03886	1.7
129.05464	2.0
129.10249	5.0
132.08055	3.2
133.06493	1.3
134.05998	1.0
134.09567	1.2
135.04396	2.8
136.07573	5.1
138.10249	1.2
139.03883	2.2
143.04929	2.3
144.04422	3.0
145.02834	6.8
145.06462	8.8
146.05995	24.3
146.99785	0.8
147.04398	27.5
147.06677	1.0
148.04745	1.1
152.05775	1.0
155.05945	1.0
157.04926	1.8
160.07567	23.7
161.05939	1.6
162.05501	3.1
162.09131	14.7
163.03818	3.6
163.30370	0.7
164.07256	1.7
170.06003	5.4
171.04393	13.5
171.07643	0.8
171.14900	2.8
173.04733	1.6
177.05469	1.0
178.08611	1.7
182.08081	1.2
188.07050	100.0
189.05440	1.9
189.07288	0.9
190.08604	1.0
199.14363	0.9
206.08105	23.8
210.45181	0.8
213.12186	0.7
219.14920	1.7
221.05537	1.4
234.09807	1.4
294.08807	1.1
325.19577	1.0
326.23264	0.8
334.12671	1.1
336.17230	0.8
344.24268	1.0
362.12521	5.3
362.25333	2.3
363.01691	1.1
380.13385	22.3
380.17810	1.5
380.26431	2.1
398.60889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	1.4
56.96560	1.9
57.03434	0.9
67.05493	4.5
69.03415	1.1
69.37509	7.8
75.07983	0.9
77.74327	0.7
77.93407	0.9
79.05476	1.7
81.07045	3.3
85.02902	1.0
91.05470	2.1
93.07025	2.3
95.04937	1.5
95.08648	1.5
97.06433	0.7
105.07000	1.7
107.08566	1.9
109.10164	2.2
117.07019	1.3
119.08545	1.3
121.10175	1.6
133.10123	1.1
138.10236	1.1
145.10208	1.0
229.14328	0.9
247.08446	1.1
285.10071	1.5
289.27890	0.9
379.24509	100.0
380.17371	1.2
380.24817	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	379.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
55.05499	1.3
56.96537	0.9
61.02910	0.6
64.85715	0.5
67.05508	3.0
67.21597	0.5
69.03400	0.7
69.07046	1.8
71.46310	0.6
79.05478	1.3
81.03374	0.5
81.07039	1.9
83.08615	0.9
85.06545	0.7
85.85857	0.6
91.05469	1.2
93.07062	1.1
95.04973	0.9
95.08583	1.4
97.02876	0.7
98.21524	1.1
107.08577	1.2
108.64314	0.6
109.10149	1.9
119.08580	1.0
121.93080	0.6
131.08537	0.7
135.52835	0.6
143.08513	0.7
145.17957	0.5
181.08389	0.6
189.00577	0.6
192.30659	0.6
222.14055	0.5
229.07486	0.9
229.14409	0.7
239.04086	0.6
245.04735	0.8
247.08580	0.6
349.23563	0.7
379.24518	100.0
380.24960	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	379.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.6
55.01862	4.5
55.05505	26.5
56.05016	5.3
56.96555	2.7
57.03420	5.7
57.82600	1.8
59.04985	1.7
59.56787	2.0
60.04504	5.9
61.02921	3.0
67.05495	3.3
69.03426	31.2
69.07076	2.7
70.06597	22.4
71.05009	11.3
71.59243	1.8
72.08153	13.0
72.93781	4.4
73.02905	3.6
73.06549	69.4
74.06057	4.2
79.05483	2.9
81.02983	2.7
81.03415	30.4
81.07018	3.4
82.06583	1.7
83.01308	1.9
83.04990	2.4
83.08602	2.7
84.04494	5.1
84.08143	24.2
85.02898	67.0
85.06509	2.7
85.07682	1.8
86.09697	11.6
88.03977	2.5
88.96875	2.4
91.05476	15.3
93.07029	2.4
95.04974	2.5
95.08604	2.4
97.02276	3.3
97.02886	63.3
97.06522	2.8
98.97575	3.7
99.04448	37.9
101.06014	60.9
102.05547	2.3
103.03933	35.9
103.05443	2.8
105.07009	2.3
107.08564	2.5
109.02872	25.8
109.06498	1.9
110.07163	3.7
111.04407	2.3
112.08752	1.9
115.07551	3.6
116.98598	3.0
117.05508	2.1
119.04939	22.9
120.08099	12.6
127.03905	69.6
127.07561	2.5
129.10243	9.0
130.05028	2.0
130.97954	2.4
131.04945	2.0
134.97350	5.1
134.99673	3.3
136.07539	3.6
145.02835	1.9
145.04955	16.9
146.06105	2.1
147.04398	64.5
148.04805	4.2
148.98946	10.1
151.76184	1.9
153.09087	3.7
157.08614	8.0
158.97412	2.1
158.99561	2.7
161.01251	2.0
163.05963	2.4
165.19983	1.8
169.08653	4.2
176.98416	2.9
177.00481	2.2
181.04898	2.2
181.08591	4.6
187.06053	5.0
190.08633	4.1
199.09628	17.2
201.06616	2.1
202.07156	2.1
203.07985	4.4
204.08849	9.3
216.08791	100.0
216.97807	2.3
217.09105	4.2
217.10783	5.2
218.10226	9.0
225.06450	2.6
230.10297	11.9
232.99330	2.7
233.02597	2.4
234.98982	11.9
235.06139	2.6
240.08823	24.7
241.09412	3.0
242.10292	6.3
246.09796	13.8
253.00006	3.2
253.07120	2.9
258.09824	7.0
259.08939	2.6
259.11755	16.5
261.00296	2.7
268.08286	2.2
277.12769	2.5
279.01892	3.1
283.09058	2.2
286.06317	1.6
286.09299	31.9
295.06116	2.7
361.01895	3.2
361.12488	6.7
361.18622	3.1
379.09634	25.2
379.13617	36.1
379.19299	3.6
380.13428	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	379.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15191	0.3
54.03434	0.9
55.01850	0.7
55.05477	0.6
55.08659	0.3
56.04997	1.3
56.96537	0.7
57.03413	0.3
60.04506	0.8
61.86572	0.4
67.05482	0.6
68.04980	0.6
69.03391	0.6
69.07040	0.7
70.06587	8.4
70.92673	1.0
71.06918	0.4
72.08150	3.5
73.06545	0.5
74.06056	0.6
76.03899	0.4
79.05503	0.6
81.03381	0.7
81.07020	0.6
83.04921	0.4
83.06072	0.5
84.04496	2.0
84.07700	0.5
84.08135	5.9
85.02864	1.1
85.08453	0.5
86.09701	4.3
87.05536	0.5
87.09999	0.4
88.03919	0.6
91.05452	1.0
93.07031	0.4
94.06532	0.5
96.06845	0.4
97.02827	0.6
98.06080	0.4
98.97537	0.5
101.05985	0.5
102.05524	0.7
105.07040	0.5
107.04929	0.5
107.08562	0.5
109.02874	0.5
110.07126	1.4
112.08722	0.7
113.12482	0.4
116.07084	0.6
116.98595	0.4
119.04924	0.6
119.08533	0.6
120.08056	1.6
123.07984	0.4
124.05042	1.4
127.03879	0.8
129.10213	3.5
130.04970	0.9
132.04437	0.4
135.08139	0.4
136.07515	0.7
143.08461	0.4
147.04338	1.2
148.05023	0.4
149.04564	1.1
166.07246	1.5
175.08679	0.5
177.05472	0.6
189.06442	1.1
189.10068	0.6
201.06371	2.0
202.07242	2.9
203.08011	2.6
204.08788	10.7
214.07187	0.5
215.07993	2.0
216.08788	100.0
217.09491	5.3
218.10374	8.7
219.10858	0.4
225.06444	4.5
226.07149	2.3
227.08054	2.0
228.08795	0.8
229.09579	1.2
230.10344	9.8
234.99039	0.5
237.78293	0.4
240.08786	22.0
241.09470	0.8
242.10361	4.7
244.08247	2.5
245.06636	0.6
246.09845	14.8
251.11232	0.5
255.10034	0.5
256.08279	0.4
257.03064	0.5
258.09851	6.6
267.22592	0.5
268.08267	1.0
283.09351	2.5
284.17093	0.4
285.11047	0.7
286.09335	30.6
311.08881	0.5
315.12045	2.2
329.09982	1.2
333.13016	3.2
343.11603	1.0
347.10843	3.4
361.12503	4.6
379.13644	32.6
380.13776	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	379.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12083	1.3
52.44824	1.3
56.05024	1.8
56.94307	1.4
56.96576	1.8
60.04533	1.6
68.05017	1.5
69.03436	3.7
69.95020	5.4
70.06598	11.7
70.30876	1.2
70.95870	2.5
72.08142	2.1
72.93787	7.0
73.94579	1.4
74.06079	6.7
77.48651	1.2
77.99519	1.3
84.04491	2.0
84.08133	3.9
85.02898	3.9
86.09702	6.0
88.96908	2.0
90.94819	8.2
94.20206	1.3
97.02875	2.0
98.06058	1.8
98.20672	1.4
108.95872	1.7
113.24702	1.4
116.07102	1.5
116.98608	2.0
119.04942	3.0
127.03943	3.1
131.01848	1.4
132.10229	2.4
132.95837	4.7
136.95302	1.5
140.96320	1.8
144.08084	1.5
144.95859	4.3
146.97433	1.5
147.04401	9.2
150.96898	3.3
156.99498	1.4
158.97394	22.0
162.96901	5.1
168.95850	2.1
169.02605	2.0
175.74028	1.3
176.98450	16.1
177.00737	1.7
186.96834	6.6
188.98372	1.6
198.96924	2.9
204.97984	4.0
216.97937	16.5
233.02676	9.1
233.14944	8.4
234.98979	100.0
237.02840	1.7
243.03342	1.2
253.00049	24.7
258.00647	4.2
270.72583	1.5
301.03647	38.4
319.04654	27.6
343.01019	2.0
370.39752	1.5
379.06186	8.7
379.10693	3.0
379.15558	2.6
379.20377	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	379.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93523	5.5
56.94299	2.7
56.96561	5.1
63.34710	2.2
67.05503	2.6
67.34982	2.2
69.03448	3.6
69.07063	4.1
70.06571	3.4
70.94641	5.2
70.95868	7.3
71.04999	3.3
72.93783	9.1
73.06564	3.1
79.05481	2.8
81.03393	3.5
81.07032	3.4
84.08150	3.7
85.02912	3.9
88.96915	3.8
90.94838	3.8
91.05486	15.1
93.07021	6.2
95.04946	10.8
95.08606	4.3
97.02908	4.0
98.97557	5.7
99.04455	2.4
101.06005	4.5
105.07022	26.1
107.08562	5.8
110.97595	3.2
116.96437	2.7
116.98628	4.5
117.06976	2.7
119.04942	20.8
119.08591	19.4
121.10123	15.4
123.08084	5.1
127.03896	4.5
130.06477	2.6
131.08583	6.1
133.10156	16.2
134.97412	3.1
142.97864	3.2
145.10138	6.7
146.97412	2.3
147.04401	58.1
147.10663	1.5
147.11671	44.0
158.97371	4.6
160.99020	2.7
164.98535	2.8
169.02605	22.9
173.13281	10.4
175.08656	7.7
176.98445	3.2
180.99490	5.0
184.98996	2.8
190.27689	2.5
191.05151	5.1
191.14336	8.8
192.99580	4.4
203.01764	2.4
207.00990	3.1
209.15273	2.7
211.00557	3.4
211.04199	3.1
217.02985	3.0
217.09677	2.7
219.01823	3.0
219.04733	3.2
221.02576	16.4
223.00568	3.4
223.04509	4.4
225.02115	6.1
233.02672	100.0
234.98877	5.7
235.04208	7.8
237.03043	4.9
237.05782	20.3
239.03731	5.9
247.04433	5.0
248.04803	2.5
251.03642	7.2
255.06763	25.3
263.07291	27.3
263.76477	2.3
265.05420	7.0
278.47290	2.4
281.08334	70.1
299.09360	26.2
317.01443	10.2
319.10574	6.5
335.02536	12.2
337.11627	6.8
343.03061	4.6
361.04300	7.4
379.06052	27.8
379.10086	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	378.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01861	2.0
55.05506	5.2
55.49823	1.1
56.96552	3.0
57.03420	1.6
61.14754	1.3
67.05165	2.1
67.05499	28.3
68.39548	1.1
69.03415	3.0
69.07059	4.4
70.04724	2.9
70.05132	4.3
70.06591	4.6
72.08125	1.6
75.16982	1.2
79.05486	4.1
81.07053	20.1
83.04977	2.3
84.08144	1.4
85.02911	1.9
91.05466	12.7
93.07029	7.0
95.04955	7.3
95.08602	8.3
97.02866	2.1
97.06500	1.8
105.07043	3.1
107.08569	5.9
109.02849	2.5
109.06513	4.2
109.10146	54.0
110.10497	1.2
111.04443	1.2
111.08125	1.1
116.98622	1.3
117.07014	1.9
119.04934	7.8
119.08566	5.5
120.08092	1.9
121.06470	2.5
121.10146	2.4
124.15352	1.5
125.06018	1.9
125.09568	1.6
127.03931	2.0
129.07043	2.9
130.04977	1.2
131.08525	2.2
133.10130	2.8
136.07570	44.3
137.05981	13.8
137.09604	100.0
137.31487	1.2
145.10094	2.4
147.04449	3.4
147.08052	1.4
153.01880	1.5
155.10658	5.4
159.11690	3.6
165.09105	82.6
171.08038	1.5
172.08841	1.7
173.09502	1.3
173.13206	2.0
178.05295	1.2
179.07047	13.6
183.10159	2.2
186.10446	2.4
187.11169	5.3
196.09743	12.4
201.12743	4.4
201.63351	1.4
229.12170	8.2
285.06891	2.9
300.15887	7.3
318.16995	21.4
332.18463	2.0
360.18085	6.9
378.17215	12.7
378.26315	3.0
402.41101	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	378.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
55.93512	4.5
56.05022	3.7
56.96549	6.0
57.03428	3.0
58.24710	1.7
60.04504	2.3
69.03408	4.9
69.07057	5.6
70.06590	10.2
70.44810	3.6
70.45211	5.0
72.08131	7.9
72.93768	4.2
74.06077	2.3
81.03397	3.9
84.04488	4.8
84.08110	6.7
85.02898	16.9
86.09691	8.9
90.94807	4.5
91.05460	4.9
93.07041	3.0
94.30679	2.0
95.04974	2.9
97.02889	4.2
98.21420	2.0
103.05454	9.9
104.05307	2.2
107.04945	51.5
109.02858	2.5
109.44858	1.9
116.98567	2.7
117.51935	1.9
119.04926	8.0
120.08060	3.1
121.06513	10.6
127.03928	11.5
127.04682	1.9
128.04236	2.3
129.10239	3.7
131.04912	4.8
132.95827	3.0
135.08052	7.4
139.24985	2.2
144.95815	2.6
147.04407	13.6
148.05142	4.5
149.05991	7.2
150.96883	4.2
153.05429	2.3
158.97398	7.9
163.07542	17.9
166.05348	6.9
170.02695	6.5
176.98448	5.0
181.08580	100.0
185.16481	2.8
197.07115	2.4
216.03262	27.5
216.97916	6.2
233.02673	5.8
234.98976	27.0
253.00133	5.8
301.03671	9.8
313.47958	2.2
319.04745	7.0
378.08533	2.6
379.10260	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	377.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47710	2.1
55.05495	9.4
57.07071	16.2
65.12711	2.2
65.74149	2.1
67.05485	7.5
69.07060	80.5
71.34297	4.3
79.05483	5.7
81.07047	20.1
83.08614	17.1
89.06010	4.5
91.05500	3.4
93.07030	8.5
95.08590	10.6
97.10124	2.7
104.23524	2.1
105.07035	7.0
107.08586	13.7
109.06520	2.4
109.10136	6.6
111.11733	4.7
121.10133	8.8
121.42587	2.4
123.11673	2.5
125.13264	7.0
129.06972	4.1
133.08664	2.6
133.10036	2.3
135.11658	2.7
141.07074	3.2
142.07796	10.6
143.08524	5.6
144.09389	3.0
149.13242	5.9
155.08565	5.5
157.10112	60.4
159.11668	36.1
169.09995	2.7
171.11661	8.5
181.10075	3.1
183.11626	5.6
186.96782	2.3
195.11984	2.5
197.13326	6.0
209.13298	2.4
211.14789	5.3
213.16190	2.9
214.59596	2.1
223.14874	2.9
225.16399	2.6
237.16370	4.2
239.11079	2.6
251.17902	11.6
252.18694	7.2
253.19559	7.0
293.22614	5.1
377.32004	100.0
378.32333	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	377.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36380	0.5
54.61928	0.5
55.01859	0.6
55.05489	0.8
56.96548	1.4
66.34773	0.5
67.05483	0.9
69.03425	0.7
69.07044	0.8
72.08147	0.5
79.05499	1.1
81.03416	1.0
81.07042	1.8
85.02915	0.6
91.05474	1.1
93.07019	1.1
95.04923	1.1
95.08601	0.8
97.02860	0.6
97.06500	0.9
104.76517	0.4
105.07014	1.4
107.04954	0.5
107.08584	1.0
109.06515	0.5
109.10144	1.3
116.98615	0.7
119.08587	0.9
121.06461	0.6
121.10132	0.5
127.03928	0.5
131.08505	0.7
134.99576	0.5
135.78064	0.4
145.10080	0.6
151.07550	0.8
309.96793	0.5
359.16895	0.5
359.21539	0.9
368.56644	0.5
377.22961	100.0
378.23151	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	377.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68450	1.6
53.03940	3.7
55.01863	5.8
55.05510	21.2
57.03428	5.0
57.07059	6.8
59.04994	3.1
61.01120	1.8
65.03944	5.3
67.05503	34.4
69.03416	13.4
69.07062	28.0
70.06603	16.7
71.04987	11.3
71.59617	1.8
72.08149	4.5
72.93741	2.0
73.02942	1.7
77.03958	2.1
79.05491	21.6
80.72328	2.2
81.03399	6.7
81.07052	100.0
82.03726	1.8
83.04984	10.6
83.08599	7.3
84.08133	9.8
85.02891	6.4
85.06525	19.7
86.06089	2.5
86.09702	8.7
90.94851	2.5
91.05471	21.3
93.06462	3.7
93.07040	51.4
95.04963	17.8
95.08602	60.9
97.02898	2.3
97.06535	13.9
97.10165	7.1
99.04449	5.2
99.08089	7.2
100.07574	2.1
101.06021	5.8
103.05473	3.3
105.07020	31.6
107.04978	3.3
107.08594	57.1
109.02843	5.2
109.06526	10.2
109.10143	37.3
110.07123	2.2
111.04440	2.5
111.08083	23.6
111.11692	3.5
113.06026	2.7
116.01660	3.7
117.07013	4.5
119.04897	2.2
119.08562	21.4
120.08112	11.7
121.06510	3.8
121.10133	41.6
123.04472	2.1
123.08048	8.5
123.11703	50.6
124.07549	2.4
125.09630	28.1
127.03896	5.4
127.07510	1.9
131.08560	8.0
132.95804	6.7
133.10110	19.5
135.08038	5.1
135.11684	13.9
136.07515	9.3
137.06012	2.1
137.07913	2.4
137.09570	6.3
137.13252	7.0
139.11153	14.2
143.08495	2.3
145.06400	2.4
145.10152	9.7
147.04366	2.6
147.07999	3.4
147.11671	14.7
149.09604	7.4
149.13283	12.1
150.96884	10.9
151.11147	17.3
153.12741	4.0
153.85521	2.2
157.10031	3.8
158.97404	7.2
159.11642	9.5
161.13220	14.4
162.02211	3.7
163.07532	5.7
163.11151	3.6
163.14792	5.7
164.07002	2.0
165.05461	2.7
165.12743	8.0
167.10664	4.9
169.12228	25.8
171.11642	3.3
173.13249	8.1
174.05435	2.0
175.14789	5.7
176.98505	10.5
180.35652	1.8
181.08563	2.3
181.12210	2.9
185.13171	2.5
187.14804	3.8
189.12782	2.8
189.16371	4.1
191.03596	2.6
191.18016	2.3
199.09718	3.5
199.14908	2.9
200.98450	4.1
201.16315	2.2
213.16391	4.4
215.17946	4.7
217.19704	2.3
233.04640	10.3
243.08871	3.1
251.05801	2.1
251.20157	5.3
257.22543	2.7
259.91238	1.9
269.22806	3.2
277.00137	5.2
279.06824	2.5
287.23703	3.6
297.07819	2.8
303.16019	2.2
305.24667	12.7
315.08954	3.5
317.02509	2.2
323.25708	4.7
341.18124	2.0
359.18997	2.1
377.14355	2.1
377.19327	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	377.1455
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03932	1.9
54.52001	0.7
56.27723	0.7
57.03433	8.5
59.04984	1.2
61.02929	4.0
69.03429	12.4
70.75125	1.3
70.75452	1.2
71.01342	2.7
71.04968	2.9
73.02907	2.0
75.04464	2.4
81.03407	3.6
87.04426	1.2
99.04456	4.8
117.05441	1.2
125.10996	0.9
139.63733	0.7
145.07553	2.1
147.04399	0.9
157.06277	0.7
170.07051	2.2
172.07217	1.6
172.08684	28.0
190.09715	1.2
198.06589	6.6
200.08150	4.6
215.62285	0.8
216.07664	17.0
216.09679	1.2
218.09251	1.2
231.04843	0.8
243.08762	69.9
244.06947	1.1
244.09125	1.2
294.88495	0.8
359.13458	3.4
377.14523	100.0
378.14865	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	377.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
54.26656	2.9
55.01862	5.2
55.05499	10.3
56.39953	3.1
57.03425	4.6
57.11443	3.3
60.09415	3.2
60.71596	3.1
67.05477	8.5
69.03423	7.4
69.07057	9.1
69.73045	10.3
69.73460	13.6
70.06573	3.4
71.04975	12.2
72.08149	6.1
79.05493	25.5
81.03425	4.9
81.07052	79.1
83.08584	4.4
84.34804	3.8
85.06520	4.5
85.47263	3.0
86.09716	3.7
91.05470	15.9
93.07040	31.9
95.04961	8.0
95.08595	29.4
97.02900	4.0
97.06515	8.6
98.21469	4.6
105.07008	37.8
107.08580	45.6
109.02892	9.2
109.06525	5.2
109.10149	30.5
111.08099	3.8
111.69464	3.8
115.75617	3.8
117.07050	6.9
118.06554	4.0
119.08582	46.0
119.09374	5.7
120.08178	4.0
121.10133	12.8
123.11703	11.7
125.09663	5.3
127.03929	5.5
127.11166	11.9
131.08615	9.0
133.10117	29.6
135.11685	100.0
137.05943	4.1
137.09624	6.5
138.44295	4.2
145.10092	8.5
146.05968	5.6
147.07991	4.8
147.11661	18.5
149.13257	6.9
153.12714	6.7
159.11583	6.5
161.13263	13.6
163.14790	4.1
184.07156	3.9
184.41255	3.3
190.12221	11.9
203.17944	47.7
221.03279	4.3
221.19055	19.4
256.08939	3.8
291.99512	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	376.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.0
55.05497	7.3
60.04522	74.5
62.63135	1.8
67.05503	13.1
69.03410	3.3
69.07062	15.0
70.02940	1.8
70.06570	6.6
71.04679	3.2
71.04993	4.2
74.06065	1.9
79.05493	16.2
81.03404	2.3
81.07054	31.6
83.04961	15.3
83.08612	2.2
84.04483	3.6
84.08121	4.1
85.02902	2.8
85.06524	4.2
86.06084	1.9
86.09690	11.3
88.03981	31.8
88.04475	3.4
91.05458	13.0
93.07037	37.7
95.04960	14.2
95.08588	19.4
97.06512	18.2
99.04442	6.3
101.05925	1.8
105.07020	31.8
106.05019	100.0
107.04871	2.1
107.08590	19.9
109.06493	12.4
109.10123	8.3
111.08072	18.7
117.07005	2.5
119.08562	17.6
120.08097	6.2
120.54922	1.7
121.06497	23.1
121.10137	5.8
123.04407	2.9
123.08077	4.8
123.11694	8.1
123.57948	1.7
125.05955	8.9
125.09551	2.0
127.07529	5.5
129.06952	4.1
130.04971	11.0
131.08513	4.1
133.06499	3.2
133.10112	18.7
135.04352	2.2
135.08052	10.6
137.05983	4.2
139.07518	13.8
142.07773	2.7
143.07024	7.6
143.08559	3.8
145.10092	4.0
147.08038	4.9
147.11681	32.8
149.13248	4.9
151.07590	1.9
151.11176	5.1
152.48352	1.9
156.09332	1.9
157.08594	4.9
157.10098	9.5
159.06517	2.9
161.13235	5.9
165.12746	10.6
169.12216	14.3
171.11670	6.8
173.13223	2.1
175.11153	24.9
189.12755	14.3
191.14313	2.1
193.12259	25.3
199.11148	8.1
202.10699	3.3
207.13751	4.6
211.13300	23.4
217.12212	36.2
229.14285	10.8
235.13251	21.8
244.48352	1.8
253.14362	12.9
268.19086	2.2
276.15921	7.0
285.73904	2.1
294.16986	20.2
296.18658	3.3
298.16498	6.2
304.15454	6.0
312.18088	8.6
316.17487	3.2
322.16449	15.7
340.13339	2.5
340.17532	41.2
349.87964	1.9
358.18506	28.7
358.22543	2.0
387.19986	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	375.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.3
57.07079	11.7
58.26473	1.5
67.05499	8.7
69.07067	56.7
71.40654	1.5
71.61440	2.0
79.05491	4.8
81.07063	11.8
83.08611	15.0
89.03874	1.6
91.05462	5.9
93.07047	7.4
95.04957	3.0
95.08630	6.3
105.07034	10.6
107.08584	6.0
109.10155	4.1
117.03370	4.7
117.06999	2.3
119.08592	6.5
121.06444	2.4
121.10141	6.6
123.11636	1.9
129.06949	2.8
131.08540	4.7
133.10120	4.0
133.94022	1.7
135.11655	2.1
142.07762	4.5
143.08543	3.0
145.02835	13.3
145.10153	5.4
146.14127	1.5
147.11649	2.7
149.05862	2.1
155.08582	3.8
157.10143	16.6
159.11740	5.3
165.07016	2.0
167.08548	2.3
169.07861	1.6
169.10201	3.0
171.11763	2.1
173.39810	1.7
177.05476	21.9
179.08551	6.4
180.09267	1.9
181.10141	3.1
182.10944	3.0
183.11696	4.1
193.10153	6.6
194.10884	3.9
195.11696	13.4
196.12344	2.1
197.13231	3.2
206.10997	2.5
207.11731	7.5
208.12454	4.1
209.13272	12.9
211.14848	4.0
219.11726	3.1
220.12468	2.4
221.13322	7.2
222.14073	4.0
223.14803	9.4
224.15356	2.3
234.14040	6.7
235.14830	21.6
238.61400	1.7
249.16409	28.9
250.17206	13.4
251.17932	18.9
263.18039	2.3
277.19604	2.6
291.21051	2.0
355.97519	1.8
375.26767	3.9
375.30496	100.0
376.30978	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	375.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37429	4.0
53.03937	7.0
53.06834	4.5
55.05510	25.9
56.96551	11.4
65.03947	4.0
67.05499	40.6
69.07055	17.0
70.19083	18.8
79.05480	46.7
81.07059	70.1
83.04972	5.4
83.08613	7.1
91.05475	60.3
93.07043	78.3
95.04966	47.3
95.08603	48.5
97.06490	6.6
105.07030	100.0
107.08580	44.8
109.06528	10.6
109.10131	28.5
115.05453	5.7
117.07052	21.4
119.08578	76.5
119.10940	4.2
121.06490	14.9
121.10131	65.7
123.08102	10.8
123.11726	10.7
128.06268	7.7
129.06976	11.1
130.07744	7.4
130.90601	4.1
131.08591	42.3
133.10133	46.8
135.08034	8.2
135.11667	20.3
142.07791	19.7
143.08575	30.3
144.09351	7.1
145.10123	58.0
147.11671	17.7
149.01199	16.2
155.08504	13.7
156.09326	12.2
157.10129	39.3
158.41096	4.7
159.07985	5.3
159.11710	30.6
161.09639	10.2
161.13237	7.7
167.02264	7.3
167.08566	8.3
168.09438	5.5
169.10110	15.7
171.11713	13.9
173.13234	16.3
175.11160	4.9
175.14844	11.6
179.08569	4.7
180.09401	5.6
181.10086	9.1
183.11658	14.1
185.13249	9.7
187.11165	6.8
187.14812	14.5
193.10127	11.2
194.10934	4.9
195.11703	13.5
196.12590	4.7
197.13271	8.8
197.62099	4.7
199.14818	5.8
201.16345	7.7
207.11650	6.2
209.13176	11.9
211.14851	8.0
211.68623	4.5
217.76312	4.4
223.14856	7.6
225.16438	5.5
233.13217	5.3
235.14845	6.5
243.14328	5.1
243.64587	4.8
275.20145	5.9
337.20377	6.3
374.76184	4.7
375.26749	30.0
387.21378	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	375.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	17.9
55.05506	73.2
56.96552	16.5
65.03925	8.3
67.05501	57.3
69.03424	22.7
69.07043	38.7
69.39150	85.2
70.06584	55.5
71.04978	14.4
72.08157	20.4
73.68663	8.8
79.05485	26.4
81.03399	18.8
81.07045	89.5
81.19488	9.6
82.06566	22.3
83.04977	21.1
83.08598	29.3
84.04507	16.4
84.08160	49.9
85.02875	11.7
85.06540	44.2
86.06056	22.2
86.09705	28.0
91.05473	34.5
93.07040	66.5
95.04964	18.0
95.08606	95.1
96.08121	16.4
97.02879	12.1
97.06512	34.6
98.09677	39.5
98.20692	16.0
99.08064	10.6
100.07610	36.0
100.11240	70.5
102.92371	8.0
105.07033	56.2
107.04929	12.1
107.08592	59.7
109.02869	16.0
109.06528	17.7
109.10143	37.6
110.06054	10.8
111.04442	22.5
111.08043	28.4
114.09122	16.4
116.01651	19.8
116.98629	9.3
119.08596	30.7
120.08071	22.0
121.10102	45.0
123.07994	10.7
123.11682	37.2
125.09599	17.7
127.03881	39.0
130.08643	17.5
131.08601	11.2
133.10100	25.5
134.99661	10.2
135.08032	13.3
135.11659	17.1
136.07579	13.3
137.02391	15.5
137.03441	8.5
137.05942	22.6
137.09572	11.2
139.11243	11.2
142.08723	11.6
145.06508	9.4
145.10135	13.1
146.99646	11.5
147.11632	21.5
149.13249	18.6
151.07507	13.2
152.07008	12.3
153.01799	9.8
159.11765	13.6
161.13202	11.3
162.02197	17.5
165.09055	15.6
167.10677	12.1
173.09782	9.8
182.15459	14.7
182.59297	9.6
185.11734	10.0
194.08153	10.5
196.13345	8.5
201.16374	9.7
210.14803	26.6
288.92404	10.1
303.04996	46.1
303.23203	12.5
315.04745	23.0
324.66132	11.4
339.27271	12.9
357.21155	14.6
357.71851	12.3
358.22543	14.0
366.22000	100.0
366.72290	25.6
374.71130	29.2
374.98004	53.5
375.16721	11.0
375.21625	35.3
377.01834	21.5
388.95920	21.9
392.99008	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72448	3.0
53.03931	4.3
54.04205	3.1
54.59055	3.2
55.05506	17.6
57.07065	4.8
57.57298	3.1
65.03897	4.0
67.05499	30.8
69.03400	5.1
69.07046	15.7
79.05140	3.5
79.05495	38.4
81.07056	54.8
83.08574	5.2
84.59746	2.9
87.49091	3.0
91.05473	58.9
93.06458	6.1
93.07040	84.1
94.48630	3.0
95.04967	52.3
95.08603	44.1
96.08880	3.0
97.06509	9.1
98.20706	6.8
103.05453	5.2
105.07024	100.0
107.04964	3.4
107.08605	48.3
109.06496	13.7
109.10159	26.3
109.10779	4.3
115.05440	4.8
117.06991	21.9
119.07795	5.7
119.08582	92.0
121.06480	13.2
121.10137	71.2
123.08042	7.6
123.11706	5.8
128.06226	5.2
129.06998	17.2
130.07768	9.2
131.08559	47.3
133.06427	4.2
133.10129	50.7
135.11665	16.7
140.72012	3.6
142.07776	25.3
143.08577	28.2
144.09314	8.2
145.06429	4.4
145.10127	66.7
147.11705	19.2
147.14352	3.4
149.03525	3.8
149.09680	3.6
155.08553	11.6
156.09343	9.0
157.10118	48.9
158.10855	4.4
159.11678	30.7
161.09572	11.5
161.13255	5.3
163.11183	3.1
165.06873	4.0
167.08556	5.8
168.09341	4.0
169.10092	24.0
170.10951	4.1
171.11690	21.8
173.09581	4.5
173.13231	16.9
175.11165	7.0
175.14851	10.0
179.08501	5.5
180.09381	3.9
181.10092	10.2
182.10904	4.9
183.11671	12.3
185.13176	8.8
187.11220	9.2
187.14822	18.4
193.10068	6.6
194.10857	7.0
195.11662	8.3
196.12471	4.4
197.13213	10.3
199.14821	8.9
201.16298	5.0
206.10915	3.9
209.13245	14.1
211.07111	3.5
211.14760	10.7
213.16478	4.5
221.13329	4.2
223.14914	7.7
235.14853	4.2
239.17671	3.5
253.15872	4.5
253.19417	6.6
261.89044	3.2
291.20813	4.3
357.25800	7.3
375.26819	31.4
375.36935	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	375.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01875	0.6
55.05503	8.9
55.84961	0.5
56.05016	2.7
56.96555	2.7
57.03427	1.0
57.05805	1.0
60.04520	18.4
61.02914	0.6
65.03932	1.0
67.05509	1.0
68.38054	0.5
69.03424	1.9
69.07068	5.7
70.02953	1.2
70.06585	8.6
71.04993	0.8
71.59026	1.0
72.08147	100.0
72.93781	0.8
74.06060	1.1
79.05505	0.8
81.03397	2.6
81.07037	1.7
83.13731	0.5
84.04493	2.9
84.08134	16.2
84.96023	1.0
85.02895	3.5
85.06530	0.9
85.08443	1.0
86.09698	84.1
87.00835	0.8
87.05581	10.9
88.03970	1.3
91.05461	6.0
92.05798	1.4
93.07043	1.2
95.04958	1.1
96.04490	0.5
97.02872	1.7
97.06485	0.6
98.97567	2.1
99.04441	0.6
100.11217	0.7
102.05519	1.3
105.01845	0.8
105.06563	2.7
106.02898	3.4
107.03259	1.4
107.04949	0.9
107.08579	1.7
109.02859	2.0
109.06507	0.9
109.10124	0.6
110.07137	2.0
110.09658	1.5
114.01198	0.5
114.09148	0.9
115.08628	0.5
116.07084	0.8
116.98604	1.6
117.03415	0.5
119.04922	8.2
119.08535	0.8
120.05285	1.5
120.08099	4.8
121.08444	0.6
123.08067	0.7
124.03976	4.3
125.04278	2.3
127.03904	20.6
128.04202	0.8
128.06300	0.5
128.10704	10.3
129.10245	4.3
130.06522	0.6
130.08629	3.0
133.10081	0.6
133.24594	0.5
134.99611	1.7
135.04350	0.9
135.08066	0.9
136.07533	0.9
137.05963	2.5
143.00137	0.7
143.10683	0.8
143.11763	5.1
144.95753	0.6
147.04391	20.0
147.11293	1.9
148.04741	4.2
148.06029	1.3
153.05469	0.9
155.08192	0.6
155.11711	0.7
158.99622	1.0
159.02966	0.7
159.11278	2.9
161.01196	1.0
162.05412	0.7
163.03899	1.3
167.07069	0.6
171.11301	2.3
173.12845	74.9
174.13297	0.6
175.10760	40.5
176.11012	0.8
177.00685	2.3
177.05463	2.0
177.10309	0.7
178.05891	1.1
181.15790	0.5
185.16426	0.8
187.10739	1.4
189.12331	2.4
197.12903	0.7
201.00696	0.8
201.12317	35.1
205.11760	2.5
213.01559	0.8
213.11179	3.0
213.15979	1.0
219.01724	1.5
228.13441	0.8
234.98964	1.2
237.00542	0.6
237.02722	1.8
247.01375	0.6
251.07469	0.6
255.17027	1.6
257.03391	0.7
265.02252	0.8
268.08157	0.7
269.08569	3.1
269.10886	0.6
283.03278	1.0
287.68887	1.1
291.07462	0.6
300.19147	2.8
309.08505	1.9
331.04535	0.8
331.13629	2.9
343.09796	2.0
348.58380	0.6
374.73779	1.7
375.07388	1.0
375.12396	8.7
375.16196	1.6
375.23276	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	375.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
54.38649	0.1
55.01865	0.8
56.05030	0.1
56.96550	0.3
57.03426	0.5
60.05643	0.1
60.95831	0.2
61.02914	0.3
68.99783	0.3
69.03426	2.5
69.07059	0.1
70.06589	1.2
71.04980	0.5
71.58539	0.2
72.08147	0.9
73.02911	0.7
81.03410	3.0
84.04500	0.9
84.08142	2.0
85.02901	4.2
86.09704	1.6
87.00825	1.9
88.03978	0.2
91.03973	0.2
97.02876	1.7
98.97571	0.3
99.04452	0.8
100.18816	0.1
102.05534	0.3
105.01870	0.8
109.02869	2.9
112.08714	0.4
116.07103	0.2
116.98472	0.5
117.01833	0.4
117.10251	0.1
119.01932	0.7
127.03907	100.0
128.04256	0.9
129.01788	0.3
129.10220	1.2
130.08627	0.4
131.00151	0.2
133.03459	0.5
133.06064	0.2
134.99442	1.0
137.02986	0.1
141.10172	0.1
144.99780	0.2
145.03793	0.2
145.04933	1.2
147.02936	0.1
147.04349	0.1
147.07631	0.2
147.11253	0.3
149.01189	0.3
153.00508	1.1
159.02893	1.3
159.04968	0.2
161.01328	0.1
161.02937	0.3
171.01544	0.2
173.02930	0.2
173.12936	0.2
175.11974	0.1
177.02475	0.1
179.02200	0.2
183.11357	0.2
187.00832	0.3
197.03175	0.3
201.00671	0.2
201.12343	0.3
203.04141	0.1
213.03949	0.1
215.00331	0.2
215.04083	0.1
217.02011	0.2
219.07207	0.2
228.13609	0.1
231.05049	0.3
237.02866	0.1
239.04175	0.7
243.13351	0.1
247.02943	0.2
257.05276	0.4
275.71286	0.1
287.06613	0.1
315.09454	0.5
331.13467	0.1
333.02826	0.2
375.13522	0.2
375.23553	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	375.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	19.2
70.81374	11.9
84.04499	9.4
97.02889	6.0
98.97579	18.5
100.07620	11.7
109.02932	5.5
116.98607	23.9
117.10259	12.8
119.01926	13.6
122.14484	5.2
128.98491	5.1
134.99675	22.3
146.99664	9.0
148.06012	6.3
157.01817	5.7
161.01189	7.2
176.97476	11.3
177.00940	73.9
187.46635	6.2
189.53171	5.7
190.02460	6.5
194.98515	19.9
203.02510	6.6
203.52832	7.2
205.00368	5.7
212.53294	7.1
215.02567	6.8
217.04120	28.6
218.98582	8.5
219.02013	66.9
220.03525	12.6
221.01714	6.4
224.05536	5.2
229.00406	12.9
229.04042	13.4
236.99579	16.6
239.06125	8.8
243.02097	8.7
245.00047	13.6
245.03598	43.2
246.03592	6.0
247.01573	19.7
249.53261	6.6
257.52094	6.6
257.99832	6.3
261.03101	20.2
263.01141	16.7
264.99185	7.6
269.03610	20.9
271.01447	21.4
272.99387	8.2
277.00903	9.7
279.00607	6.4
284.55701	15.9
286.01840	8.0
287.01233	19.0
288.99454	8.2
289.02533	35.6
290.02640	6.0
291.00516	28.5
301.01746	7.3
315.00372	58.8
315.99039	7.2
332.98193	12.4
333.01630	100.0
333.05316	14.5
333.52161	6.7
337.00027	8.1
342.98349	6.6
350.98987	20.0
351.98843	7.4
357.04929	9.2
374.54321	7.9
375.02002	8.7
375.06812	27.5
375.15054	10.5
375.22339	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	375.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01858	0.6
57.03419	0.4
61.02906	0.4
68.99781	0.3
69.03424	2.2
70.11316	0.8
71.01351	0.2
71.04996	0.3
72.08127	0.2
73.02902	0.7
81.03413	3.0
85.02412	0.4
85.02895	3.8
87.00817	1.9
95.17258	0.2
97.02877	1.5
99.04462	0.8
105.01849	0.7
109.02874	2.8
117.01814	0.3
127.03901	100.0
128.04277	0.9
129.01819	0.2
145.04922	1.2
157.17845	0.2
159.02892	1.3
163.78998	0.2
166.26859	0.2
221.69109	0.2
231.04906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	35.5
61.21288	8.8
67.05502	63.9
69.07058	22.3
69.32271	100.0
71.04972	40.8
79.05478	25.2
81.07036	52.3
83.04955	18.9
83.08591	15.3
91.05473	23.3
93.07015	40.3
95.08595	21.8
97.10146	13.7
98.21561	18.4
105.07021	22.9
107.08574	41.2
109.10124	39.4
119.08594	13.2
121.10100	11.1
123.08001	11.3
125.09570	14.1
131.08534	10.6
133.10062	18.2
135.11719	13.0
140.21667	9.0
173.11740	36.7
177.12610	11.0
187.13245	31.1
187.58496	10.1
203.12766	18.6
209.97771	10.5
241.18010	28.3
275.20047	27.9
319.31262	10.3
333.18924	14.8
350.94601	14.9
351.19888	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	44.9
56.96545	32.2
57.03440	22.4
67.05504	100.0
69.07058	47.1
70.05780	40.1
70.06199	53.5
71.04986	94.1
79.05485	64.2
81.07043	86.1
83.08645	24.1
83.63252	15.4
85.75060	15.1
91.05453	46.5
93.07028	65.5
95.08587	42.8
97.10158	23.7
98.20808	20.0
105.07005	46.0
107.08579	51.9
109.10146	68.0
119.08570	34.0
121.10133	26.5
125.09579	31.1
133.10069	45.6
135.11674	30.2
138.53159	15.4
159.11713	20.7
173.11699	73.8
177.05455	33.4
177.12740	36.0
178.05803	25.8
184.50243	19.2
185.26068	17.3
187.13284	50.0
191.21036	17.8
191.85922	17.2
203.12839	36.3
233.13161	16.6
241.18005	61.4
242.68510	18.7
275.20038	26.6
350.94699	22.9
351.14655	54.3
361.61542	20.4
369.15787	66.0
374.36230	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	374.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36493	0.3
53.03930	1.0
55.01858	0.8
55.05488	1.1
55.93524	1.4
56.05030	0.8
56.96549	0.8
57.03412	0.7
58.68589	0.3
60.04518	0.5
61.02911	0.9
67.05487	0.9
69.03418	3.5
69.07064	6.2
70.06587	4.8
70.27289	0.3
70.95863	0.4
71.04981	0.5
71.06927	0.5
71.58931	0.6
72.08150	2.5
72.93785	1.8
73.02889	0.5
74.06069	1.1
78.03455	1.0
79.05484	0.4
81.03408	3.9
81.07059	0.7
83.04984	0.7
84.04498	3.9
84.08141	4.4
85.02903	5.7
85.06560	0.3
86.09698	100.0
87.00821	0.5
87.10035	1.6
90.94818	1.4
91.05468	1.4
93.07050	0.4
95.04991	0.6
95.08595	1.2
96.04485	1.5
97.02881	2.6
97.06492	0.5
98.97598	0.7
99.04459	0.9
102.05554	1.3
105.01885	0.6
105.03410	0.4
105.07034	0.6
106.02911	7.1
107.08595	1.1
108.95870	0.6
109.02873	2.5
110.07156	1.0
116.07078	0.5
116.98631	0.4
117.03407	0.6
119.04934	1.5
120.08126	0.8
121.10129	0.7
123.08052	0.6
124.03942	13.7
125.06037	0.4
127.03906	28.8
127.07573	0.5
128.96312	0.6
129.10237	1.8
130.05013	3.0
130.08611	0.4
132.95853	1.3
135.04436	0.5
135.08080	0.4
136.07570	0.8
137.05937	0.4
144.06561	0.7
144.95825	1.1
145.02859	1.7
145.04984	0.8
146.97449	0.4
147.04379	2.6
147.07684	0.8
148.06041	6.7
149.05981	0.9
149.09625	0.4
149.96040	0.6
150.96849	0.8
151.07570	0.5
153.05446	0.9
158.97414	1.5
159.02876	0.5
162.96924	1.2
163.03889	0.5
165.09157	0.5
166.55867	0.4
169.79778	0.4
176.98506	1.4
177.00682	0.7
177.05464	4.7
177.09035	0.5
180.08734	0.5
186.96899	0.6
187.00664	0.4
188.98398	0.5
194.11917	0.4
195.06499	3.2
195.10196	1.3
199.18051	26.0
200.13907	0.5
200.18355	0.7
213.02090	0.4
213.11264	1.4
216.98000	1.1
227.17513	11.7
228.00926	0.5
229.01488	0.4
231.03166	0.7
234.98955	3.1
250.07083	2.9
253.00157	0.6
257.78748	0.4
261.14413	8.4
265.01691	0.4
268.08105	4.9
269.08392	0.5
272.03329	0.6
283.02896	0.7
286.89615	0.4
330.04678	0.4
331.04721	6.4
331.13715	0.7
350.94745	0.9
357.06573	0.5
374.07047	0.6
374.14932	0.7
375.07513	1.4
375.12601	4.2
375.16287	0.7
394.90869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.05492	0.4
56.05020	1.0
60.04512	0.6
61.01140	1.4
66.33360	0.3
67.05499	0.6
68.05041	0.4
68.35159	0.4
69.03419	0.7
69.07064	0.7
70.06585	33.8
71.05704	0.8
71.06066	0.4
71.06279	0.3
71.06926	4.3
72.08138	3.0
72.89595	0.3
73.02903	0.4
73.08479	0.6
74.06049	0.6
79.05462	0.6
81.03401	1.0
83.06099	0.6
84.04491	4.0
84.08133	7.9
85.02892	1.7
85.08469	0.9
86.09696	100.0
87.05619	0.5
87.10023	1.3
88.03983	0.4
91.05476	0.7
93.07011	0.5
95.06110	0.5
97.02899	0.7
97.07638	0.5
98.06041	0.5
98.97575	0.5
101.07069	0.3
101.23383	0.4
102.05533	1.9
102.09245	0.4
105.25777	0.3
106.02917	1.3
107.04971	0.6
110.07171	1.4
112.08710	1.1
113.07098	0.7
114.05560	0.5
116.07072	0.8
116.84866	0.4
117.03628	0.7
118.06861	4.4
119.04912	0.6
119.07239	0.9
120.06480	0.5
120.08118	0.8
121.06502	0.5
124.03930	1.6
125.07095	0.4
127.03951	1.8
129.10223	3.5
130.04980	2.3
130.08577	0.5
130.10583	0.7
136.07564	0.7
137.05971	0.9
138.09138	0.3
145.02818	1.0
147.04448	0.6
148.06038	6.6
148.07164	0.6
161.05968	0.4
166.08597	0.5
177.05466	2.1
185.10338	0.4
195.06512	1.1
199.18037	28.9
200.18394	0.5
213.01591	1.1
213.11266	1.0
217.11855	1.5
218.12149	0.4
227.17502	13.2
237.02803	0.6
261.14438	7.3
268.08240	0.5
271.12350	1.8
272.12692	0.9
289.12344	0.4
302.16318	0.6
302.85504	0.4
309.08545	0.4
331.13620	3.1
364.70377	0.5
374.11227	0.5
374.18192	0.5
374.22708	0.5
375.07474	0.8
375.12509	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	374.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
55.05495	1.8
56.05028	2.0
57.03422	0.5
60.04513	0.5
67.05502	3.1
69.03419	1.3
69.06717	0.5
69.07065	6.3
70.06586	4.9
70.33626	1.9
71.04981	0.5
72.08150	2.1
72.74505	0.4
78.61767	0.3
79.05476	1.0
80.05018	0.4
81.03374	0.4
81.07056	1.5
83.04971	1.7
83.06089	1.2
84.04495	19.6
84.08147	2.7
85.02907	1.4
85.04877	0.4
85.06546	1.4
86.06069	2.9
86.09696	100.0
87.10023	3.4
88.03992	1.2
91.05480	2.1
93.07045	1.0
95.04969	1.3
95.08591	0.7
96.08134	1.6
97.02876	0.6
97.06537	0.7
98.06017	0.5
98.09688	0.9
99.04444	0.5
100.07590	0.4
101.06005	1.3
101.07082	0.4
102.05533	10.2
103.05451	0.4
105.07056	0.9
107.04936	0.5
107.08566	0.5
107.66513	0.4
109.02913	0.5
109.06486	0.5
109.10158	0.5
110.07158	1.1
110.09637	0.5
111.04459	0.9
113.06023	0.6
113.07099	0.4
114.09189	0.4
116.08681	0.4
116.10738	4.4
119.08563	1.2
120.08089	0.9
121.06490	0.4
121.10184	0.5
122.02720	0.7
127.03915	0.9
129.05597	0.8
129.06577	8.9
129.10231	1.1
130.05057	0.9
130.06519	0.4
131.11729	0.5
132.10191	19.4
135.08176	0.8
135.09157	4.8
136.07573	1.1
137.05951	0.6
141.06595	0.6
142.08627	2.2
147.04343	0.4
147.11757	0.4
148.05956	2.2
149.02383	0.5
152.10686	0.6
154.08629	0.7
155.06989	0.5
157.13354	0.5
159.04288	0.5
164.10631	0.4
169.13298	0.9
170.11751	3.0
176.11404	0.4
182.15445	0.5
197.10950	0.7
197.12833	14.4
197.14684	0.9
199.18048	13.6
208.13423	0.6
215.13893	23.1
220.16962	1.5
225.12329	3.6
226.14413	2.2
227.17500	4.8
228.15916	2.7
237.00728	0.8
243.13341	4.5
244.15433	7.3
244.17815	0.6
245.18608	0.5
246.16980	2.2
261.14368	2.6
356.20953	0.8
374.17987	1.5
374.21930	0.7
375.15784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.3
56.96567	30.3
60.62107	1.6
67.05495	2.5
69.07066	2.3
71.43300	3.3
71.95253	3.7
79.05476	4.8
81.07047	9.2
84.96014	2.2
91.05461	4.3
93.07034	4.6
94.07388	3.1
95.04976	4.4
95.08625	2.1
96.05304	2.3
97.06483	2.3
105.07018	7.9
106.07347	2.1
107.08529	3.7
109.06503	2.0
110.97561	3.3
115.97871	2.4
119.08568	6.1
123.32480	1.9
128.98582	10.6
129.09114	5.7
131.08560	2.8
133.10098	4.7
134.10474	2.8
142.07707	1.9
143.08524	3.7
144.08984	2.4
145.10188	3.3
146.10399	3.0
146.99670	17.7
158.10524	2.6
161.01286	4.1
165.00697	5.5
169.09976	2.1
170.01204	2.6
172.12064	2.3
179.02249	1.9
189.04266	4.7
196.12033	1.8
201.04271	1.8
203.05859	2.5
207.11580	2.1
208.12198	2.3
209.13202	2.3
234.13942	2.1
250.16382	1.8
259.12152	2.5
263.09607	5.7
272.98285	2.0
278.19910	2.1
303.12723	3.9
314.30048	2.2
315.16245	36.3
316.16577	2.0
331.15836	2.6
333.17352	100.0
334.17703	3.9
351.18420	38.4
356.19006	16.7
374.19730	7.1
374.25494	7.7
392.21085	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	374.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.05494	5.3
56.05027	6.8
57.03437	2.1
60.04509	0.8
60.13206	0.8
65.03948	1.0
67.05496	3.7
69.03416	4.5
69.07068	3.2
70.06591	2.6
71.04987	6.1
71.60017	1.1
72.08142	2.9
74.06078	1.5
79.05486	13.3
81.03424	1.0
81.07046	11.9
83.04968	2.3
84.04497	100.0
85.02895	3.0
85.06520	2.0
86.06100	1.0
86.09703	2.3
91.05479	9.4
93.07037	37.4
95.04967	5.0
95.08607	3.7
97.06523	5.3
99.04426	2.3
102.05534	51.0
105.07021	31.5
107.04932	0.9
107.08586	37.9
109.06501	9.3
109.10175	1.1
111.08069	2.9
113.06008	1.4
117.07012	3.8
119.08569	9.1
121.06495	18.7
121.10131	18.1
127.07574	2.0
129.07002	1.4
130.04991	53.5
130.07750	1.5
130.08649	2.6
131.08565	3.5
135.08052	7.4
135.11681	8.1
137.05959	1.4
137.09586	1.4
142.08681	1.0
143.08446	0.9
145.10118	28.7
145.11269	1.6
147.08067	1.1
147.11664	4.9
148.06032	45.9
149.05986	1.5
149.09612	23.5
149.10732	1.7
151.07535	1.5
151.09450	1.0
158.07228	1.1
163.11169	53.5
167.10655	14.3
169.08583	2.3
172.06111	1.6
173.09592	7.5
181.12212	9.0
181.13515	1.1
185.11748	2.4
191.10652	42.6
208.13365	4.1
209.11751	9.2
212.09247	1.0
216.51778	0.9
226.14371	7.6
227.12764	17.1
227.14882	1.2
230.10257	3.0
237.14514	0.9
240.12105	2.4
252.12367	3.9
254.09991	1.0
264.15952	2.4
268.11539	1.4
274.14322	2.3
292.15399	15.6
298.12903	1.7
310.16434	20.0
314.12268	4.1
320.14929	2.1
328.17490	3.6
338.15979	9.2
356.13766	0.8
356.17041	20.8
356.20764	0.8
374.14191	9.9
374.18289	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	374.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05469	0.3
57.83769	0.2
59.23439	0.2
67.05448	0.2
69.07044	0.4
69.63437	0.9
69.63862	0.5
70.06586	0.9
70.17027	0.2
71.04930	0.2
72.08114	0.3
79.05470	0.3
81.06986	0.5
84.04448	0.3
84.08111	0.4
85.02876	0.3
85.06488	0.2
86.05995	0.2
86.09684	1.3
87.09964	0.4
91.05416	0.3
93.07013	0.3
95.04932	0.4
95.08547	0.3
97.06470	0.3
98.98455	2.3
105.07081	0.2
106.06516	0.2
109.10098	0.2
110.07114	0.2
116.10748	0.3
117.06994	0.3
118.06536	4.4
119.07269	0.2
119.08528	0.3
120.08038	0.5
124.99993	9.0
126.88368	0.2
131.08524	0.2
132.08058	1.5
132.10182	0.3
133.08818	0.6
134.09579	0.4
137.09566	0.2
144.08073	7.9
144.09204	0.4
145.08757	0.3
146.03062	0.2
146.09596	1.2
151.03857	0.2
158.09645	3.4
159.10437	1.1
159.11494	0.2
159.17267	0.2
160.11142	0.6
162.09137	2.4
165.05605	0.2
172.11162	2.2
173.11946	0.3
176.10779	1.8
176.14330	18.3
177.11411	0.6
177.14648	0.6
181.98944	0.2
186.12686	0.2
190.12189	1.3
193.04936	0.3
200.00102	0.4
202.15886	48.3
203.16257	1.1
208.00540	0.3
220.16940	100.0
221.17284	2.6
226.10405	0.2
228.03264	0.3
243.13269	0.3
258.68903	0.2
271.14215	0.2
296.11197	0.2
300.13565	9.1
314.12161	0.6
331.07458	0.7
356.16309	0.5
357.05692	0.3
359.68353	0.2
374.17374	14.6
375.06467	0.4
375.17691	0.2
393.07410	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	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01856	3.4
55.05519	1.5
56.05035	2.1
57.03426	2.9
58.09564	1.0
61.02928	3.2
65.03947	2.7
67.05509	1.5
68.04980	1.0
69.03426	17.1
69.07071	2.3
70.06591	5.2
70.75838	3.7
71.04991	2.4
72.08157	1.5
73.02908	3.7
81.03419	11.9
84.04492	16.5
84.08145	2.7
85.02899	48.5
86.09702	60.6
87.00827	18.3
91.05475	100.0
92.05800	2.4
93.07037	1.1
95.04984	1.3
96.04510	1.1
97.02885	17.3
99.04429	7.0
102.05549	7.1
105.01855	25.6
105.07027	2.5
108.04475	3.0
109.02864	14.8
109.67344	1.1
113.07179	1.3
115.03933	1.0
120.08099	1.5
121.06502	1.5
121.86143	1.1
127.03908	34.1
129.01833	2.0
129.06604	2.2
130.06548	1.7
130.08623	1.2
131.06833	1.1
132.10197	18.4
136.07495	1.5
137.05963	1.4
141.06575	1.8
143.03473	1.5
145.04953	14.9
145.06230	1.4
151.03947	1.2
153.01787	1.3
157.07629	2.8
158.07980	4.1
159.02890	7.1
170.11742	2.7
189.03964	1.7
193.05067	1.1
195.06540	1.4
195.10133	2.5
197.12849	11.1
199.07538	1.6
215.10236	1.2
215.13889	19.6
217.08505	2.0
225.12317	2.6
231.04997	6.5
243.13446	4.1
245.18494	1.4
249.06004	1.5
316.77072	1.1
374.18729	3.3
374.25299	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	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03938	2.9
55.01862	1.2
55.05495	1.4
55.93513	0.7
56.05015	1.5
56.96555	2.4
57.03421	1.9
60.04522	1.4
61.02912	0.7
67.05507	1.1
69.03425	10.2
69.07054	1.4
69.94607	2.4
69.95010	0.8
70.06589	8.9
71.04991	2.4
71.06925	0.7
72.08150	5.2
72.93772	0.7
73.02910	0.9
74.06069	0.8
78.03448	9.5
79.05516	0.7
80.05016	2.4
81.03413	16.9
81.07030	0.6
84.04498	1.4
84.07626	0.6
84.08138	11.1
84.96034	0.8
85.02898	13.2
85.06515	0.7
86.09705	13.3
87.04461	0.8
87.10030	0.8
88.03981	0.6
89.03931	1.0
90.94812	0.8
91.03952	0.5
91.05475	4.0
91.43936	0.6
95.04889	0.6
95.08620	0.6
96.04499	6.6
97.02884	6.4
98.97580	1.5
99.04420	2.8
102.09115	0.5
106.02910	59.6
107.03193	0.9
107.04929	0.7
107.08597	0.6
109.02871	10.4
110.07127	1.2
111.04438	0.7
116.07058	1.1
116.98610	1.4
117.03390	2.5
119.04951	5.1
119.05811	0.6
119.06128	0.5
119.08549	0.7
120.08108	2.5
123.08070	0.5
124.03945	100.0
125.04276	1.0
126.09190	0.6
127.03913	18.1
129.10213	3.2
130.08612	1.5
134.99622	1.2
136.07668	0.6
141.09084	0.6
143.11781	0.7
145.02811	4.8
145.04938	1.1
147.04407	13.8
147.11259	0.8
148.04713	1.7
148.05997	0.6
148.07462	0.6
149.05980	0.9
158.99785	0.6
161.01227	0.8
163.03883	1.1
166.05008	1.6
173.12897	1.8
173.62553	0.5
175.10822	0.8
177.00703	2.1
177.05455	10.7
177.06876	0.9
195.06485	5.1
198.01132	0.5
199.18117	1.3
201.00583	0.6
201.12267	0.6
202.51836	0.5
203.07535	2.5
212.03781	1.0
214.99957	0.8
216.97917	0.6
219.01849	0.9
227.08510	0.9
227.17584	0.6
232.06017	4.4
234.98888	0.7
250.07069	17.7
254.02357	0.5
262.89481	0.7
265.02219	0.7
268.08145	42.4
269.08575	0.8
286.89618	0.9
333.35751	0.6
350.94861	1.0
356.12164	0.5
374.14346	2.0
374.73706	0.7
375.12628	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	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
56.05021	1.1
56.96558	0.7
57.03424	1.1
60.04525	0.9
60.05618	0.7
61.02906	2.6
66.93349	0.7
67.05501	0.9
69.03425	5.9
69.73383	1.7
69.73805	3.4
70.06581	5.2
71.04977	1.2
72.08170	3.6
76.51493	0.9
81.03409	2.4
81.07058	1.3
84.04491	2.8
84.08141	10.1
85.02905	17.6
85.06535	1.1
85.08436	1.6
85.11646	0.8
86.09706	7.1
89.03903	5.4
91.05475	2.8
91.67969	0.7
95.04935	0.9
97.02870	5.5
98.21468	1.4
98.97594	1.0
99.04469	1.2
100.36497	0.8
105.56149	0.7
107.04919	1.0
109.02856	1.3
110.07158	1.1
114.32330	0.7
116.07098	0.9
117.03376	14.7
119.04922	3.0
119.81213	0.8
120.08099	1.4
124.07621	1.1
127.03899	5.6
129.10249	3.7
130.06551	0.8
130.10599	0.8
133.02954	0.7
134.03656	1.7
135.04405	2.5
143.00208	0.9
145.02847	44.7
145.04744	4.7
147.04396	10.2
149.05984	7.1
153.05453	1.9
158.06055	0.8
160.42899	0.8
162.07591	0.9
163.03905	3.2
177.05469	100.0
178.05786	2.5
180.08775	1.2
186.05486	0.9
195.06523	46.9
196.06807	1.2
227.08530	2.3
310.15875	1.8
374.12997	1.6
374.17627	3.0
374.28387	1.4
375.20117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02368	0.9
53.03930	2.4
55.01868	0.7
55.05515	0.6
56.05022	1.2
56.96558	0.7
57.03429	1.1
60.04520	0.5
61.02932	0.7
69.03423	10.5
69.07058	4.0
70.06583	5.9
70.40031	1.2
71.04981	2.4
72.08143	2.3
72.63395	0.5
73.02920	0.7
78.03445	11.8
79.03811	0.5
80.05006	2.9
81.03413	20.9
83.45588	0.4
84.04488	3.5
84.08144	5.3
85.02899	13.4
86.09698	88.8
87.00799	0.5
87.10036	1.1
88.03985	0.5
89.03922	0.8
89.06037	0.8
91.05475	1.5
96.04488	5.6
97.02868	5.3
99.04468	2.9
102.05524	1.4
106.02907	59.8
107.04987	0.4
107.08589	1.2
109.02877	12.4
110.07162	1.9
119.04930	1.1
120.08108	0.6
124.03942	100.0
125.04295	0.8
127.03905	43.5
129.10223	2.2
130.05008	2.7
135.04420	1.1
136.07571	0.9
145.02820	0.9
145.04883	0.9
145.86806	0.5
147.04399	3.3
147.07661	1.7
148.04868	0.7
148.06021	6.0
148.07898	0.7
149.05998	0.7
149.09619	0.7
153.05405	0.7
157.39752	0.4
159.02916	0.5
161.01273	0.6
162.96954	0.5
163.03896	2.7
166.05011	1.6
177.05446	2.1
195.06522	1.6
195.10281	0.6
199.18040	27.6
210.86603	0.5
213.11177	1.0
227.17522	9.7
232.06036	4.5
234.98940	0.9
250.07085	19.6
255.01666	0.6
261.14413	6.9
268.08130	42.4
269.08298	0.6
273.02774	0.6
329.78131	0.4
331.04559	0.8
374.14435	2.8
375.12534	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	373.2808
Annotation	Lys Ile Leu
Peak:m/z	Relative Intensity
53.03943	0.5
55.01857	0.5
55.05515	1.8
56.05029	2.9
56.96561	1.0
57.03425	0.5
59.04979	0.3
59.90326	0.3
60.04504	0.6
67.05503	1.2
69.03423	1.7
69.07063	0.8
69.24165	0.2
70.06588	6.5
71.04984	0.7
71.06918	0.4
71.59091	0.5
72.08149	6.1
78.03435	0.4
79.05477	0.6
80.04994	0.3
81.03402	2.0
81.07050	1.0
82.03743	0.6
82.06580	0.6
83.04985	0.5
83.06095	0.4
84.04491	0.8
84.08135	100.0
85.02892	2.1
85.06529	1.5
85.08463	0.9
86.09695	18.1
87.04479	0.4
87.05569	0.3
87.10041	0.3
88.03947	0.3
89.03887	0.3
91.05464	1.1
93.07025	0.7
95.04961	0.9
95.08606	0.5
96.04496	0.5
96.08129	1.0
97.02879	1.1
97.04863	0.3
97.06573	0.5
98.09686	0.3
99.04450	0.4
101.02367	0.2
101.10770	4.9
102.05529	0.5
102.09186	0.8
105.03356	1.6
105.07054	0.5
106.02904	2.9
107.03226	1.7
107.08574	0.8
109.02866	1.6
109.10156	0.3
110.07172	0.4
110.09653	0.4
111.04455	0.5
111.09200	1.0
112.07595	0.5
112.08710	0.4
115.08667	0.4
116.07095	0.7
117.03367	0.6
118.06891	0.7
119.04915	1.0
120.08088	0.6
124.03944	4.8
125.04280	2.4
126.12763	0.5
127.03905	0.9
127.08656	0.4
129.10228	60.5
130.04973	0.3
130.08670	0.4
130.10620	0.4
134.99780	0.2
135.08025	0.7
136.07643	0.7
137.05980	0.9
141.10190	0.7
144.06549	0.4
145.02803	1.5
145.04932	0.4
145.59334	0.3
146.06018	0.3
147.04422	2.6
147.07677	0.7
149.06042	0.8
152.14339	2.2
153.05557	0.4
154.04886	0.3
157.07617	0.3
157.09723	0.4
157.13341	0.5
161.01189	0.4
161.06027	0.3
165.05562	0.3
165.06967	0.5
177.05441	3.5
179.07054	0.5
179.15408	0.6
181.17056	0.4
183.14877	0.3
185.13010	0.4
193.12198	0.3
195.06525	1.0
197.07947	0.3
197.16475	5.7
197.18176	0.5
199.18047	0.6
214.19125	0.7
224.17563	2.1
225.09079	0.4
225.15947	1.6
237.02834	0.3
242.18607	7.3
245.18588	2.7
250.06932	0.7
251.07491	1.5
260.19543	1.7
268.08163	1.0
269.08511	2.0
327.27328	0.3
337.26138	0.5
350.94568	0.5
355.26675	0.7
356.25079	1.3
358.27496	0.3
373.14352	2.0
373.18396	3.0
373.28064	23.0
373.67773	0.3
374.18103	0.4
374.28366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2219
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03925	6.0
55.01868	5.6
55.05491	10.3
56.05006	3.4
56.96567	8.5
57.03426	10.7
67.05501	18.7
69.03410	14.5
69.07066	19.9
70.06574	12.7
70.21490	6.8
70.21902	12.1
71.04998	18.9
72.08140	11.0
73.02932	3.8
79.05489	7.9
81.03403	14.2
81.07039	22.9
81.83508	3.3
83.04976	12.2
83.08608	5.2
84.08134	10.0
85.02909	34.5
85.06539	6.6
86.09699	100.0
86.10217	6.3
87.05577	4.7
91.05463	10.6
93.07039	19.7
95.04973	22.4
95.08569	16.7
97.02868	12.3
97.06535	25.2
97.10140	3.3
98.02402	4.9
98.09711	3.2
99.04443	4.0
102.05618	3.3
103.05463	4.5
105.07018	11.2
107.04959	5.0
107.08586	17.2
108.04450	4.4
109.02847	7.4
109.06505	9.8
109.10152	37.5
111.04456	7.2
111.40779	4.2
113.10747	5.2
116.98637	4.0
117.06985	5.6
119.08565	18.7
120.08086	4.3
121.06464	5.3
121.10155	8.1
123.08109	5.2
127.03902	8.6
129.05432	3.0
129.07030	3.9
131.08551	3.8
133.06461	5.5
133.10103	12.1
134.99684	3.9
135.07985	3.2
135.11647	22.1
136.07552	3.5
137.05974	9.5
137.09596	8.6
138.09129	6.8
139.03864	5.5
140.10602	3.5
141.10201	9.5
143.11806	5.2
145.10080	4.7
146.11763	13.3
147.11658	5.3
149.09586	6.0
149.13307	5.2
153.01779	4.6
155.11794	13.6
157.10062	3.3
161.05904	8.1
167.07053	4.3
175.07562	5.5
175.14824	9.0
183.11308	12.3
193.15891	13.1
199.07509	5.3
200.13904	53.1
201.05389	3.4
201.12384	14.9
211.08684	3.8
211.16891	16.8
212.16438	3.3
213.08960	3.4
228.13443	15.5
228.15686	3.9
229.16183	3.7
237.09064	4.0
239.06863	4.1
241.12082	5.1
265.08582	5.5
265.12100	4.1
267.11194	8.7
283.13135	5.3
295.10730	5.2
297.10947	5.8
300.05704	11.7
303.04846	4.3
309.06229	4.7
311.12726	9.0
313.11795	19.9
317.06888	3.9
343.11850	16.7
350.94720	6.1
355.15485	5.8
373.13492	42.4
376.01059	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	373.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.3
55.05512	11.5
56.64201	1.6
57.03437	23.6
59.04981	2.4
64.55169	1.4
64.81433	1.9
67.05505	69.8
69.03076	3.2
69.03428	48.2
69.07085	1.5
71.01363	2.0
71.04984	10.5
71.16155	4.2
72.89445	1.8
73.02910	3.5
78.16611	1.5
79.05511	2.5
81.03413	50.9
81.07063	12.4
83.01332	3.0
83.04988	16.2
83.08607	6.7
85.02908	16.6
85.06539	2.0
87.04465	2.6
91.05469	5.6
93.07037	4.1
95.08602	5.7
97.02896	25.5
97.10144	3.2
99.04469	9.0
101.02366	3.2
107.08550	1.9
109.02863	10.3
109.10155	65.8
111.04446	11.1
111.08025	1.8
116.73232	1.5
117.06989	1.9
119.08562	8.2
125.09618	4.7
127.03901	21.2
129.05482	6.6
135.07990	1.9
137.09604	5.6
145.04945	3.2
155.10660	4.8
173.04422	2.0
173.11740	50.1
189.11209	6.7
209.11768	3.7
222.83339	1.6
229.14409	9.4
244.78482	1.7
299.14862	11.1
326.30499	1.9
355.17346	3.6
373.18561	100.0
391.53384	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	373.1834
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
54.37476	0.3
55.05497	1.2
56.05025	0.7
56.96574	0.5
57.03428	0.4
65.03877	0.3
66.49056	0.3
67.05489	0.9
69.03406	1.0
69.07047	0.9
70.06588	5.8
71.04990	0.6
71.20298	0.8
72.08147	4.5
79.05482	1.0
81.03400	1.0
81.07046	1.3
83.04983	0.7
84.04486	0.8
84.08138	8.0
85.02890	1.1
85.06525	0.5
86.06060	1.1
86.09698	10.2
87.05599	0.4
87.25105	0.3
89.06026	0.4
91.05463	1.5
93.07019	1.0
95.04972	1.1
95.08601	0.7
96.08101	0.5
97.02911	0.6
97.06537	0.7
99.04438	0.5
102.05521	0.5
103.05463	0.4
105.07010	0.9
107.08573	1.0
109.02860	0.7
109.10153	0.4
110.07143	0.5
111.04446	0.5
115.08649	0.4
119.04906	0.9
119.08557	0.9
120.08095	0.7
121.10181	0.8
127.03889	0.7
129.10231	5.8
133.10115	0.5
135.08029	0.7
136.07579	0.5
137.05978	1.5
142.08653	0.4
143.11790	0.4
145.02890	0.6
147.04381	1.5
147.08017	0.5
147.11642	0.5
151.03896	0.5
157.07437	0.4
157.13329	1.7
177.00658	0.4
177.05435	1.2
183.14821	0.4
185.12801	0.6
189.12335	1.2
193.12216	0.8
201.05481	0.6
203.13911	0.5
204.06589	0.3
230.12863	0.4
299.10208	1.1
301.12592	2.8
329.15701	23.8
330.16074	0.4
331.12979	0.7
345.28903	0.5
350.94818	0.5
373.18295	100.0
374.10611	0.6
374.18533	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	373.1129
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
53.03941	2.4
55.01873	1.7
55.05499	2.3
56.05009	1.0
56.96547	0.9
57.03430	1.9
60.94340	0.7
67.05496	2.0
69.03424	2.4
69.07061	2.9
70.06589	5.9
70.13304	0.6
71.59209	0.6
71.59654	1.1
72.08161	3.7
73.02886	0.7
77.03938	0.8
78.75458	0.6
79.05481	4.1
81.03413	1.7
81.07053	3.9
83.04977	2.4
83.06097	1.5
83.08611	0.7
84.04488	1.5
84.08136	16.5
85.02901	5.3
85.03403	0.8
85.06539	1.8
86.09698	18.5
91.05472	4.1
93.07037	3.7
95.01316	2.2
95.04974	6.0
95.08608	2.3
97.02878	0.9
97.06538	2.3
99.04446	0.8
99.86938	0.7
100.11240	1.4
101.07095	0.7
102.19097	0.7
105.03387	100.0
105.07030	2.3
106.03692	1.1
107.04956	1.0
107.08578	2.9
108.04488	1.6
109.06532	1.4
109.10159	1.5
111.04459	1.7
111.08083	2.2
113.02393	1.0
113.06031	0.8
119.08591	1.9
120.08092	1.3
120.60363	0.7
121.06468	1.2
121.10135	1.5
122.06042	0.9
122.78294	0.7
123.04424	3.5
123.08051	1.4
125.09622	1.5
129.05461	0.9
129.10217	7.1
130.08675	1.2
131.03313	0.8
133.06488	0.8
137.05978	2.5
141.01854	4.8
143.11795	1.5
145.10123	1.0
146.06018	4.0
147.11357	0.9
149.09679	1.3
157.13339	1.2
163.11205	0.8
164.07123	0.9
168.06572	1.8
169.08565	2.4
171.11311	0.8
179.03429	1.3
179.07030	28.2
180.07344	0.7
181.08627	0.7
181.12170	1.1
182.15378	1.3
183.15755	1.3
185.12961	1.4
188.09276	0.9
188.32886	0.6
189.09503	0.8
189.12346	1.9
191.05864	0.7
196.14508	1.1
197.08078	9.5
201.05527	1.6
203.13971	1.4
210.14946	1.2
211.13367	0.7
211.15344	1.9
221.89209	0.6
227.12799	1.0
228.16064	1.3
229.16342	0.8
299.10345	2.5
331.09363	1.2
331.12930	3.2
338.21506	1.2
373.13721	2.0
373.18411	11.1
373.23505	3.0
377.17609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
54.52293	0.3
56.05021	0.7
56.96538	0.5
57.03429	0.9
58.06598	0.8
60.57832	0.3
61.02901	0.6
69.03421	2.8
70.06594	1.8
70.26672	0.6
70.27054	0.8
71.04986	0.5
71.07352	1.6
72.08143	0.6
73.02872	0.4
81.03396	0.8
82.06498	0.3
83.04960	0.5
84.04491	0.8
84.08130	1.9
85.02892	4.5
86.09686	0.7
87.04423	0.5
91.05442	2.7
93.07014	1.1
94.06554	0.4
95.04971	2.0
97.02897	1.6
99.04434	0.8
102.05530	0.5
103.05465	0.5
106.06569	0.9
107.04942	2.7
108.05772	0.5
109.02847	0.5
111.04417	0.8
119.04930	7.4
121.06490	6.9
123.04422	7.8
124.07568	1.1
127.03931	1.8
129.10228	0.8
137.05946	1.2
145.04941	0.9
147.04398	5.1
148.07584	0.7
149.08347	13.2
150.05479	1.2
150.09068	0.6
151.05847	0.9
160.99533	0.3
162.09116	2.0
164.10699	100.0
165.05457	5.7
165.11055	1.3
173.01315	0.3
188.09210	0.4
208.09589	0.4
209.09212	0.5
210.09312	0.8
210.11240	10.9
225.17278	0.3
318.13425	0.7
336.14374	2.7
354.15503	6.0
354.19772	0.6
372.16498	32.8
373.17084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96422	5.4
56.96739	3.5
67.05365	0.8
67.05695	0.5
69.06942	0.6
71.60387	0.5
71.85438	0.4
77.94407	0.5
81.03301	0.4
83.63100	0.4
95.08452	0.9
98.97455	0.5
107.08447	0.5
109.09994	0.6
110.97410	1.1
116.98471	0.7
123.84251	0.5
128.98407	1.5
130.25101	0.4
134.99496	0.5
141.02094	0.5
144.49414	0.5
146.99435	3.4
149.01105	1.1
155.03703	0.4
157.01566	0.7
161.01057	0.7
165.00537	1.0
167.03520	0.4
169.01559	0.8
171.03160	1.0
175.02606	0.6
179.02197	0.5
185.04880	2.1
187.02617	1.0
189.04092	1.5
199.06436	2.9
203.05916	4.6
211.06258	1.0
213.07732	0.8
217.07478	7.9
221.06821	1.0
223.02817	2.1
223.08293	1.2
225.07713	0.6
226.04958	1.3
226.07140	0.6
229.07289	0.9
231.06703	0.8
231.08884	0.8
237.04332	3.2
237.07898	0.7
239.09444	0.6
240.08835	0.6
244.05991	0.5
253.10934	0.9
253.82280	0.4
255.05344	1.0
262.08591	0.9
267.09027	2.5
269.12296	0.6
279.08908	0.9
280.09766	2.7
281.10461	0.8
285.10001	2.0
297.09885	0.7
298.10648	1.7
307.15909	2.1
325.16861	0.8
331.15671	14.8
349.16824	100.0
350.17172	3.0
367.17902	5.3
372.18463	16.8
372.29034	0.6
373.18463	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	371.2062
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03936	3.1
55.01851	3.2
55.05518	4.9
56.67696	2.1
57.03433	3.0
61.02920	5.3
67.05489	7.0
69.03425	16.7
69.07063	6.5
69.46770	16.7
70.02955	2.1
70.06590	4.7
71.04961	3.7
72.08129	2.5
79.05475	8.2
81.03407	24.3
81.07053	12.8
83.04977	6.7
84.08124	3.7
85.02899	31.6
91.05473	8.9
93.07049	13.6
95.04967	6.6
95.08607	9.8
97.02904	12.7
97.06509	3.2
97.10165	2.3
99.04460	5.4
105.07015	11.0
107.08568	12.4
108.45898	2.6
109.02865	8.1
109.06512	11.6
109.10140	3.9
111.08147	2.3
115.83206	2.0
119.08558	6.6
121.06476	4.5
121.10123	12.7
123.08071	5.5
123.11715	3.4
126.10009	2.0
127.03905	10.5
135.08089	3.3
135.11667	2.6
137.09619	7.9
145.04930	7.1
145.10135	6.3
147.04395	3.4
147.11687	2.6
149.09625	11.3
149.13245	5.2
151.11163	26.0
163.03255	2.4
163.11200	9.5
165.12730	43.7
167.10693	6.1
173.52118	2.0
181.12148	4.2
187.05991	2.5
188.09172	2.7
191.10660	4.9
191.14363	6.3
209.15359	100.0
210.15652	2.4
228.16132	2.7
246.45641	2.2
300.09705	2.5
314.04059	2.3
371.12061	2.8
371.20569	5.1
372.10098	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.8
54.93554	1.1
55.01871	4.5
55.05510	34.1
56.96560	2.5
57.03438	2.7
59.04992	1.4
59.58274	0.9
61.02917	5.3
65.03927	1.8
65.08352	1.0
66.78679	1.1
67.05499	9.3
69.03428	14.4
69.07064	9.2
70.06587	14.6
70.89167	2.8
71.04983	7.7
72.08147	4.1
73.02905	2.4
75.06163	1.1
79.05482	12.7
81.03414	33.0
81.07052	20.1
82.06596	1.4
83.04974	100.0
83.08614	3.3
84.08124	3.2
84.45893	0.9
85.02885	7.6
85.06537	4.6
86.06080	2.0
86.09702	7.2
87.00829	1.1
87.04459	1.4
87.05587	1.3
88.03984	1.5
89.06029	4.6
91.05468	12.4
93.07034	26.2
94.59673	1.0
95.04951	8.5
95.08609	10.4
97.02872	5.7
97.06525	9.6
98.03084	1.1
98.97554	1.9
99.04452	7.9
101.06004	2.4
103.05476	3.6
105.07017	15.3
107.04933	4.2
107.08591	16.6
109.02859	13.3
109.06528	5.9
109.10158	3.7
111.04435	2.0
111.08076	15.7
113.06021	1.5
116.34921	1.2
117.03374	1.6
117.07024	3.2
119.04951	1.2
119.08561	7.8
120.08091	3.7
121.02890	1.2
121.06490	6.3
121.08464	1.5
121.10143	11.9
123.04421	1.6
123.08093	3.3
123.11700	6.5
125.05986	1.6
125.09596	2.5
127.03904	14.0
128.06187	1.4
129.06944	2.4
129.10280	1.5
131.04927	3.0
131.08586	3.0
132.05748	2.6
133.06483	1.5
133.08618	1.7
133.10121	6.2
134.10486	1.2
135.08052	4.6
135.11635	3.1
136.07545	2.1
137.05992	4.5
137.09598	4.8
139.11168	1.7
143.07027	80.0
144.07324	2.0
145.02885	1.4
145.10101	8.2
147.03351	2.0
147.04407	18.6
147.08003	1.8
147.11696	5.6
149.05945	1.7
149.09584	8.0
151.11201	4.7
152.07091	1.9
153.01855	1.3
155.06953	1.7
156.05673	1.9
159.07986	1.8
159.11673	1.2
160.05287	1.5
161.09616	2.6
163.03937	2.3
163.11177	14.0
165.12788	2.7
167.07037	8.4
167.10655	9.6
169.08635	6.0
169.12219	16.5
173.09657	1.4
175.07449	2.4
175.11179	2.5
177.05478	4.4
181.12267	3.2
187.04166	1.2
187.05997	1.9
187.07602	2.7
188.09204	4.0
189.09137	2.2
191.07027	2.3
191.09013	2.0
191.10625	11.5
191.14270	1.8
192.07864	5.0
193.04955	1.7
193.12283	3.6
207.04694	1.1
209.11674	4.0
209.15334	2.7
211.13303	12.3
217.08597	5.2
218.07152	1.4
218.69028	1.1
219.08148	1.5
227.12834	3.5
228.16023	3.6
229.14340	1.5
229.15479	1.0
235.07484	1.8
236.08252	2.1
247.07658	1.9
251.07153	1.5
264.07767	2.5
279.10190	3.0
293.08487	1.4
307.09729	2.0
309.11621	1.9
311.12756	1.8
339.12329	4.2
353.16119	1.8
368.04529	1.2
371.07913	2.0
371.12927	4.0
371.17319	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	371.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.4
55.01866	9.5
55.05504	12.8
56.06570	1.8
56.96562	4.8
57.03426	9.9
57.07066	2.7
61.02911	6.3
65.03916	3.2
66.00856	1.7
67.05497	22.0
69.03069	3.2
69.03421	38.8
69.07056	25.4
70.06578	4.8
71.04968	9.7
71.60339	2.6
72.08124	1.7
73.02928	2.8
79.05483	27.9
81.03411	100.0
81.07050	38.1
83.04975	8.5
83.08618	5.4
85.02892	32.1
85.06538	7.7
86.09731	2.5
87.00820	1.9
87.04427	2.2
89.05996	2.7
90.94802	2.3
91.03909	2.3
91.05460	22.3
93.07037	50.6
95.04954	11.2
95.08601	22.2
97.02880	16.4
97.06515	24.9
97.10168	3.7
98.97609	2.1
99.04437	15.4
101.06011	1.9
105.07021	33.5
107.04943	6.4
107.08588	33.4
109.02868	42.8
109.06499	13.9
109.10140	15.4
111.04471	2.0
111.08071	13.0
117.06997	5.2
119.04858	3.2
119.08540	14.4
120.08106	2.4
121.02882	4.9
121.06494	12.9
121.10132	35.6
123.04441	4.9
123.08076	13.2
123.11681	3.5
125.05941	2.3
125.09589	3.2
127.03912	39.0
129.07022	2.5
131.08553	6.4
133.06482	4.2
133.10123	8.8
135.08026	16.9
135.11690	12.5
136.07579	4.2
137.05966	5.8
139.07500	3.0
139.11172	3.9
143.08572	4.9
145.04936	10.8
145.06520	2.8
145.10112	26.2
147.08083	2.6
147.11766	9.7
149.09613	20.6
149.13179	2.1
151.07547	4.8
151.11163	4.1
153.01810	3.6
157.06404	2.4
159.08107	2.6
159.11612	2.3
161.05939	2.4
161.09650	3.3
161.13301	2.7
163.07489	2.7
163.11163	39.5
165.12735	18.2
167.07080	11.8
167.10672	29.1
169.08578	18.6
171.11671	2.4
173.09604	5.6
173.13245	2.5
175.07538	2.4
181.12209	9.6
185.11778	3.3
187.07524	4.5
189.12733	2.4
191.10660	33.2
191.14301	25.8
203.17952	4.2
209.11708	16.2
209.15256	2.3
213.16417	2.3
217.08632	2.3
217.12154	2.2
227.12828	13.7
249.08922	2.1
277.08698	2.2
285.07864	2.1
287.03641	2.8
289.71417	2.3
305.04620	4.0
309.16925	3.0
311.09717	2.6
311.14926	4.0
321.11154	5.2
349.03775	2.9
353.09894	2.9
353.15784	7.5
353.19708	2.2
371.11508	9.0
371.17245	11.3
371.20789	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	371.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.1
55.01871	13.4
55.05509	14.1
56.96565	2.6
57.03428	8.2
67.05503	17.5
67.12915	1.6
69.03426	51.2
69.07062	18.0
70.06592	19.8
70.61958	6.4
71.04990	17.0
72.08142	10.7
75.86002	1.7
79.05488	28.2
81.03413	100.0
81.07049	47.9
81.21444	1.9
82.06587	1.8
82.20400	2.0
83.04986	11.9
83.08622	2.6
84.04504	4.1
84.08142	10.5
85.02898	16.2
85.06559	6.1
86.06061	3.8
86.09698	21.5
90.94839	2.7
91.05454	22.6
93.07040	72.6
95.04961	17.0
95.08601	22.7
97.02884	19.3
97.06528	18.7
99.04449	28.4
99.08077	2.2
100.11256	5.4
101.06046	4.0
103.05488	2.7
105.07022	34.4
106.04080	2.1
107.04952	8.7
107.08588	49.8
109.02120	3.0
109.02876	54.3
109.06512	30.9
109.10159	8.0
110.07151	3.6
111.04437	3.8
111.08088	20.0
113.05980	3.1
117.07027	5.1
119.08569	19.3
120.08102	11.0
121.02879	2.9
121.06489	21.4
121.08415	5.4
121.10141	51.0
122.03616	2.5
123.04420	3.8
123.08040	9.6
124.07653	2.6
124.49502	1.8
125.05994	4.2
125.09631	3.7
127.03913	51.5
127.07497	3.5
128.06187	2.0
129.07005	3.5
129.10251	3.6
130.07738	2.8
131.04854	2.4
131.08539	7.5
133.06458	1.7
133.10136	7.8
135.04393	4.6
135.08046	13.5
135.11659	13.2
136.07597	5.0
137.05962	17.9
137.09625	8.3
139.07498	3.7
139.11163	5.7
140.62001	1.9
143.08507	3.3
145.04961	3.6
145.06488	3.7
145.10109	30.8
147.04341	2.1
147.07973	2.9
147.11668	8.4
149.05980	4.0
149.09607	26.4
151.03911	3.9
151.07565	6.7
153.05470	2.9
154.65321	1.8
155.08466	2.4
156.05666	2.2
157.06534	2.4
159.08015	4.4
159.11685	2.0
161.06012	3.2
161.09578	3.2
163.11168	67.8
164.07028	2.4
164.11580	2.2
165.09077	5.2
167.07098	9.5
167.10674	41.7
169.08598	32.1
169.58835	1.8
170.78571	1.9
173.09624	6.1
175.07591	3.4
177.05492	2.8
179.10680	2.3
181.12224	18.2
185.11797	3.6
187.05959	3.0
187.07539	3.0
189.09103	2.6
191.10677	44.1
191.14276	2.0
199.14821	2.1
203.08627	2.7
207.10246	2.2
209.11728	21.4
209.15161	2.0
212.10793	1.8
215.08655	2.2
217.04991	3.4
217.08600	10.6
218.07272	3.3
219.08076	2.8
227.12775	24.5
235.07681	2.8
239.07257	2.3
241.08693	2.6
247.09662	4.6
248.25308	1.8
249.09201	2.4
253.05101	3.8
257.04825	2.3
261.09232	5.8
263.07141	2.7
269.08093	2.9
278.09000	3.0
281.04599	4.3
285.07507	7.6
293.08218	3.5
293.11505	2.8
300.10013	5.1
306.08954	2.6
307.10019	2.5
309.11191	2.3
311.14911	5.2
313.12439	2.8
321.11182	6.0
335.09915	2.3
335.14490	2.5
339.12207	6.2
341.06683	4.2
348.99106	2.2
353.15802	6.9
362.27939	2.1
371.07678	3.2
371.12552	3.1
371.16925	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.1
55.01871	13.4
55.05509	14.1
56.96565	2.6
57.03428	8.2
67.05503	17.5
67.12915	1.6
69.03426	51.2
69.07062	18.0
70.06592	19.8
70.61958	6.4
71.04990	17.0
72.08142	10.7
75.86002	1.7
79.05488	28.2
81.03413	100.0
81.07049	47.9
81.21444	1.9
82.06587	1.8
82.20400	2.0
83.04986	11.9
83.08622	2.6
84.04504	4.1
84.08142	10.5
85.02898	16.2
85.06559	6.1
86.06061	3.8
86.09698	21.5
90.94839	2.7
91.05454	22.6
93.07040	72.6
95.04961	17.0
95.08601	22.7
97.02884	19.3
97.06528	18.7
99.04449	28.4
99.08077	2.2
100.11256	5.4
101.06046	4.0
103.05488	2.7
105.07022	34.4
106.04080	2.1
107.04952	8.7
107.08588	49.8
109.02120	3.0
109.02876	54.3
109.06512	30.9
109.10159	8.0
110.07151	3.6
111.04437	3.8
111.08088	20.0
113.05980	3.1
117.07027	5.1
119.08569	19.3
120.08102	11.0
121.02879	2.9
121.06489	21.4
121.08415	5.4
121.10141	51.0
122.03616	2.5
123.04420	3.8
123.08040	9.6
124.07653	2.6
124.49502	1.8
125.05994	4.2
125.09631	3.7
127.03913	51.5
127.07497	3.5
128.06187	2.0
129.07005	3.5
129.10251	3.6
130.07738	2.8
131.04854	2.4
131.08539	7.5
133.06458	1.7
133.10136	7.8
135.04393	4.6
135.08046	13.5
135.11659	13.2
136.07597	5.0
137.05962	17.9
137.09625	8.3
139.07498	3.7
139.11163	5.7
140.62001	1.9
143.08507	3.3
145.04961	3.6
145.06488	3.7
145.10109	30.8
147.04341	2.1
147.07973	2.9
147.11668	8.4
149.05980	4.0
149.09607	26.4
151.03911	3.9
151.07565	6.7
153.05470	2.9
154.65321	1.8
155.08466	2.4
156.05666	2.2
157.06534	2.4
159.08015	4.4
159.11685	2.0
161.06012	3.2
161.09578	3.2
163.11168	67.8
164.07028	2.4
164.11580	2.2
165.09077	5.2
167.07098	9.5
167.10674	41.7
169.08598	32.1
169.58835	1.8
170.78571	1.9
173.09624	6.1
175.07591	3.4
177.05492	2.8
179.10680	2.3
181.12224	18.2
185.11797	3.6
187.05959	3.0
187.07539	3.0
189.09103	2.6
191.10677	44.1
191.14276	2.0
199.14821	2.1
203.08627	2.7
207.10246	2.2
209.11728	21.4
209.15161	2.0
212.10793	1.8
215.08655	2.2
217.04991	3.4
217.08600	10.6
218.07272	3.3
219.08076	2.8
227.12775	24.5
235.07681	2.8
239.07257	2.3
241.08693	2.6
247.09662	4.6
248.25308	1.8
249.09201	2.4
253.05101	3.8
257.04825	2.3
261.09232	5.8
263.07141	2.7
269.08093	2.9
278.09000	3.0
281.04599	4.3
285.07507	7.6
293.08218	3.5
293.11505	2.8
300.10013	5.1
306.08954	2.6
307.10019	2.5
309.11191	2.3
311.14911	5.2
313.12439	2.8
321.11182	6.0
335.09915	2.3
335.14490	2.5
339.12207	6.2
341.06683	4.2
348.99106	2.2
353.15802	6.9
362.27939	2.1
371.07678	3.2
371.12552	3.1
371.16925	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61042	1.2
52.76108	1.0
53.03943	6.1
54.23820	1.3
55.01863	4.7
55.05502	6.4
57.03432	2.3
67.05492	7.5
69.03426	15.0
69.07068	7.4
70.06577	4.1
70.85521	3.6
70.85877	1.2
71.04984	5.1
71.30363	1.2
72.08143	2.5
72.93809	1.7
73.02926	1.5
78.04710	3.8
79.05489	13.1
80.28496	1.1
81.03412	37.7
81.07042	13.7
82.06577	2.9
83.04977	3.3
83.08595	2.5
84.04496	1.9
84.08141	2.2
85.02907	6.0
85.06541	1.6
86.09707	4.0
87.04446	1.2
91.05463	14.9
93.07031	24.2
95.04972	6.2
95.08607	6.8
97.02885	3.7
97.06527	4.7
99.04450	7.2
100.11250	9.1
103.05470	4.1
105.07018	16.4
106.04153	2.9
107.04958	15.2
107.08583	15.7
109.02874	17.9
109.06508	8.4
109.09310	1.0
109.10143	2.8
111.04433	2.8
111.08083	6.7
112.50256	1.3
115.05452	3.5
117.07011	4.9
117.66104	1.2
118.04144	2.3
119.04973	2.1
119.08558	8.6
120.86649	1.2
121.06486	7.5
121.10130	13.9
123.04413	5.4
123.08027	2.5
124.05219	3.0
125.06007	2.0
127.03913	18.3
127.07569	2.0
128.06200	5.7
128.07082	10.2
129.07050	8.3
130.36316	1.3
131.04898	7.3
131.08580	3.3
132.05714	5.1
133.06488	5.0
133.10136	1.7
135.08038	4.5
135.11714	3.3
137.05994	4.3
137.09612	2.3
139.05360	1.4
139.07509	2.8
139.11160	1.8
141.06990	1.5
143.07045	1.4
143.08401	1.2
144.05687	1.4
145.06499	3.0
145.10097	8.0
145.41173	1.4
147.04359	2.2
147.08044	5.6
147.11583	2.3
149.06027	2.5
149.09566	10.5
151.03902	1.5
151.07536	2.4
152.04695	2.5
153.05479	2.9
157.06503	2.2
159.08034	6.6
160.05174	3.9
161.06013	8.2
161.09547	1.8
163.11159	20.6
164.07088	1.6
167.07028	100.0
167.10651	10.7
168.07352	2.0
169.06598	1.3
169.07335	1.5
169.08615	9.5
172.05276	2.3
173.05995	1.6
175.07536	33.6
176.04544	1.5
177.05434	3.0
177.08998	1.4
178.07739	1.6
180.73331	1.3
181.06522	1.2
181.08537	1.8
181.12224	5.6
182.15428	2.2
185.05907	1.6
187.06013	2.4
187.07520	17.8
189.07042	1.6
189.09033	3.0
190.07785	2.9
190.88152	1.2
191.06990	11.5
191.08652	2.1
191.10641	11.2
199.07495	8.1
202.07738	3.7
203.08534	5.4
206.07188	3.4
207.08006	1.5
209.08073	2.0
209.11726	4.5
209.16623	1.6
210.14893	3.1
215.08635	1.8
217.08597	3.6
218.07240	2.7
219.08064	3.0
221.09621	4.1
227.12723	4.8
227.17650	2.0
231.08022	3.5
233.09561	3.4
234.06758	2.8
235.07535	3.3
245.05885	1.6
247.07516	2.8
249.09149	5.9
250.09871	1.3
251.07120	2.7
252.07852	1.5
261.09064	4.0
262.09937	1.3
263.06989	2.2
265.08759	1.6
277.08560	4.9
278.09293	2.8
281.11673	8.0
283.09766	1.5
289.08731	2.2
291.10266	2.3
293.11725	2.0
306.08868	1.2
307.09720	2.7
308.10526	1.6
309.11160	9.3
309.17007	1.3
310.11774	1.5
311.09247	2.5
314.46167	1.3
321.11276	6.1
323.09097	1.2
326.11551	1.9
335.14874	1.5
339.08438	1.9
339.12259	4.1
340.12683	1.5
341.13773	9.8
343.30695	1.7
353.13495	2.7
362.27164	1.5
371.17065	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	371.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13433	1.8
57.03439	3.5
61.02927	3.1
69.03412	11.8
70.06591	7.5
71.01356	2.4
71.58187	3.6
74.02437	13.1
74.60147	1.9
81.03403	6.1
84.04500	5.3
84.08145	9.9
85.02892	27.0
85.31175	1.9
86.09676	3.0
91.05844	4.5
94.06559	77.6
95.04951	2.4
97.02890	11.6
99.00812	8.5
99.04449	3.2
104.05009	4.0
106.06560	3.5
107.04942	3.1
109.02875	8.0
109.43568	2.0
110.07166	2.6
111.04431	2.0
118.06525	27.9
119.04938	6.8
120.04470	27.8
121.06489	6.9
123.04431	10.2
124.07590	5.1
127.03915	6.4
129.10223	5.0
130.02885	2.9
130.05028	2.4
130.06522	4.3
132.04453	4.6
132.08105	4.5
136.07567	35.5
136.95570	2.1
145.04974	2.8
146.05998	55.5
146.08055	2.5
147.04393	7.6
147.07608	3.5
149.08382	7.7
150.05518	16.0
156.04446	3.9
158.06006	3.7
160.07616	2.6
163.08656	6.0
164.07010	5.2
164.10707	100.0
165.05511	12.2
170.06033	7.0
172.07666	2.6
174.05496	23.3
184.07504	4.1
188.06999	3.6
190.04881	3.6
192.06540	78.9
196.07629	4.5
198.05452	2.9
198.09045	2.3
209.09190	55.1
209.11041	3.7
210.11266	12.8
214.08791	2.2
218.06598	3.2
224.07127	3.3
226.08708	2.6
236.07434	2.6
254.08180	3.0
262.10788	3.6
268.97784	3.4
269.08844	2.0
270.07608	9.8
282.07480	2.7
285.00955	4.1
298.12741	2.8
318.09680	7.5
335.12531	2.5
336.10684	3.8
337.32333	2.0
354.15482	4.8
355.06854	3.0
372.16513	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	371.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19804	0.9
56.96557	10.7
69.03445	0.9
69.93048	3.6
69.93457	1.8
70.06235	1.1
70.06580	5.2
72.08141	1.8
72.96043	1.2
80.67241	0.8
83.09982	0.9
84.08146	1.6
85.02869	2.3
98.20668	1.0
98.97552	3.5
112.99120	57.8
116.98594	2.5
119.00059	1.1
127.03893	1.8
131.00156	100.0
132.15765	1.0
134.99579	1.6
149.01202	74.8
154.01776	1.5
163.03024	1.1
164.10703	1.8
165.05504	1.0
167.02278	7.0
172.02748	1.6
175.02754	6.5
187.02773	1.7
192.24136	1.0
193.03828	17.1
194.01059	1.0
200.04340	1.2
211.04881	13.9
235.04863	61.2
236.05186	1.1
249.06396	7.0
253.05922	44.5
267.07373	2.3
311.10052	33.1
371.26639	2.2
372.16684	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	9.2
61.02942	0.8
69.03412	0.7
70.06609	1.3
70.40658	2.4
72.17014	0.5
82.98083	0.6
84.08148	1.1
85.02894	2.7
85.95585	0.6
86.09708	0.8
97.02908	1.3
98.97563	4.3
101.77200	0.6
112.99122	51.1
116.98583	2.8
119.00155	0.8
119.01873	1.0
124.07556	0.7
127.03922	2.4
131.00162	100.0
134.99570	1.5
149.01213	73.0
153.00439	0.6
154.01750	1.4
154.52133	0.7
167.02272	8.2
172.02867	1.6
175.02782	8.4
177.00810	0.7
180.19995	0.6
182.03322	0.6
187.02802	1.5
191.02283	1.2
191.03824	0.6
193.03839	16.6
205.03854	2.2
209.88542	0.8
211.04872	15.1
213.03452	0.8
229.06004	0.9
235.04878	68.9
236.05223	0.8
249.06429	8.5
253.05946	44.0
267.07526	2.0
276.07584	2.8
311.10110	37.2
371.26602	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	370.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01856	4.9
55.05508	8.0
55.93518	4.5
56.05021	6.2
56.96551	7.7
57.03436	7.8
57.07073	63.7
58.99575	5.4
59.97098	3.6
60.04516	6.1
61.01133	3.3
64.53628	4.0
67.05480	8.2
69.03407	12.2
69.06133	3.9
69.07050	8.6
70.06586	46.0
71.04968	4.2
71.17252	7.1
72.08150	19.8
73.02892	3.4
74.06062	4.8
74.27534	4.0
79.05489	11.6
79.21056	3.5
81.03399	12.2
81.07063	9.4
82.06557	6.1
83.04990	7.3
83.06113	3.8
84.04477	12.3
84.08138	27.0
85.02902	26.8
85.06535	87.4
86.06044	8.3
86.09703	24.7
87.00774	4.5
88.03972	5.7
91.05467	12.7
93.07047	7.3
95.01322	5.1
95.04961	17.0
95.08603	6.9
96.08092	5.8
97.02882	10.7
98.20697	4.1
99.04404	5.9
100.02476	6.2
102.87038	3.7
103.05466	3.9
103.07575	7.0
104.07073	8.8
105.01830	4.0
105.07037	11.4
106.06504	4.0
107.07369	7.1
107.08585	11.7
107.28882	3.5
109.02888	8.6
109.10194	3.9
110.06046	4.2
110.07150	15.2
111.04424	7.0
112.08692	5.2
118.03539	7.3
119.04919	4.5
119.08586	7.0
120.08098	10.0
121.02807	5.5
122.06031	4.4
124.07605	10.2
127.03928	18.1
129.06972	4.1
129.10246	12.9
131.05003	4.7
131.08556	5.0
133.06474	6.9
135.08032	6.0
136.06117	4.7
136.07567	12.5
137.05957	8.0
141.01823	22.6
148.07530	4.5
149.09673	4.4
150.06509	4.0
151.07533	4.7
152.07050	6.7
154.08585	7.7
159.02859	5.2
159.10155	100.0
160.07483	4.5
161.09561	5.1
162.05562	4.9
166.04955	7.6
166.08653	17.0
168.06554	4.0
172.09752	3.7
174.97577	9.9
175.07613	4.2
175.70543	3.8
177.05472	8.8
177.07036	4.2
177.08850	4.5
177.11212	71.7
177.92944	4.4
178.05861	9.9
179.98108	8.0
180.06621	4.6
185.06500	3.7
194.08150	4.1
197.99185	32.2
206.11720	4.6
208.06145	7.7
208.09669	4.3
208.13205	5.5
213.09921	3.7
224.12827	12.6
226.14355	4.0
242.13837	9.7
249.13409	4.4
264.15970	6.4
267.14539	8.1
281.18631	3.9
282.09644	12.4
310.09326	4.9
314.10596	5.5
329.08810	4.3
342.11789	4.9
347.10300	4.6
352.25461	7.7
370.16904	65.4
371.17105	7.6
381.77243	3.7
383.62714	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01871	4.0
55.05298	2.1
55.05514	18.6
56.96566	7.5
57.03437	9.6
57.07071	14.1
61.02913	2.4
66.21030	2.0
67.05501	44.4
69.03418	4.5
69.07067	21.4
70.44033	8.8
70.60705	1.7
71.04983	6.7
71.08627	5.0
73.02902	1.8
79.05495	24.0
79.05914	3.5
81.03419	6.7
81.07055	46.8
83.05006	9.4
83.08611	11.2
85.02888	8.3
85.06549	4.8
85.10181	29.5
91.05479	19.5
93.07041	23.0
95.04967	14.0
95.08600	23.8
97.06526	5.8
97.10157	6.5
99.08076	4.9
105.07024	19.2
107.04948	3.7
107.08597	18.7
109.06512	5.1
109.10160	32.2
113.05960	2.1
113.09651	27.0
117.06985	3.0
118.87788	1.9
118.98029	2.2
119.08573	10.5
121.10168	13.9
123.08091	3.7
123.11720	3.5
125.09618	2.5
131.08586	8.1
133.10130	20.5
135.08066	2.3
135.11674	5.1
137.09660	3.7
141.12726	2.5
143.08562	2.9
145.10167	4.7
146.99634	2.1
147.08064	2.4
147.11659	8.6
149.09619	5.8
149.13225	2.9
151.11183	8.7
153.12749	2.7
156.09229	2.3
157.10114	3.2
161.13327	3.0
163.11150	5.4
165.12752	28.3
169.12257	4.7
173.11696	3.2
176.98532	3.1
179.14294	2.3
189.11156	3.3
189.12709	2.6
191.00003	2.8
193.15781	2.4
207.13843	4.2
221.15506	2.0
227.40739	2.1
229.07352	2.8
229.14285	2.1
247.08563	2.7
259.20624	3.1
277.21631	57.3
295.22668	100.0
296.22937	3.3
303.97275	2.2
337.09265	2.1
351.13342	2.1
365.16391	3.3
369.13644	2.1
369.19330	4.3
369.26520	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45816	3.5
53.03951	8.1
54.01423	3.5
55.01870	8.3
55.05502	48.2
56.96549	8.7
57.03435	20.5
57.07062	9.6
65.03938	5.8
67.05506	100.0
69.03412	7.9
69.07068	30.2
69.32615	45.3
71.04980	7.3
71.08627	43.3
79.05484	53.4
80.27219	4.0
81.03410	19.9
81.07053	89.4
83.04975	16.9
83.08614	23.7
85.02898	6.1
85.06549	9.5
85.10188	5.0
87.36137	4.5
91.05470	43.1
93.07040	56.4
95.04966	26.7
95.08597	41.6
97.02885	4.8
97.06520	12.8
97.10197	22.5
98.20709	7.8
99.08078	28.9
105.07030	31.1
107.08582	43.0
109.06509	12.5
109.10159	46.4
111.08084	5.8
113.09623	12.0
117.07014	15.2
119.08592	31.5
121.06486	5.1
121.10129	20.6
123.08012	5.4
123.11706	8.6
125.09643	16.4
129.07027	8.5
131.08569	16.9
132.99596	5.4
133.10138	23.3
135.08063	7.1
135.11716	15.0
137.09581	4.6
143.08546	6.6
145.10117	16.0
147.11641	22.4
149.02351	9.1
149.13258	14.2
151.11191	51.9
157.10184	7.6
159.11713	5.1
161.09636	6.5
161.13266	14.1
163.11186	15.7
165.12766	12.0
171.11676	10.0
173.11826	20.9
173.13100	5.7
179.14278	12.9
189.11189	23.9
191.00143	6.2
193.04967	11.9
207.13832	6.4
227.12796	19.8
229.07376	4.9
237.07729	5.1
241.19618	4.9
245.13902	7.6
247.08406	6.8
253.18034	9.6
259.20535	9.7
269.17365	9.8
277.21646	70.8
282.10776	4.4
295.22705	30.3
311.72958	5.5
347.15359	5.9
351.25473	25.3
365.16489	5.7
369.25418	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	369.2422
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03946	6.4
55.01871	16.8
55.05495	32.1
56.96559	15.7
57.03439	13.3
57.07069	15.8
63.50384	6.1
67.05499	92.1
67.49846	6.3
69.03422	17.7
69.07058	35.2
70.00202	33.1
70.06596	14.4
71.04979	23.4
71.08614	16.8
79.05483	63.9
81.03397	20.3
81.07050	61.7
83.04980	17.1
83.08607	15.9
85.02885	16.4
85.06539	16.9
91.05462	73.0
93.07037	74.6
95.04958	100.0
95.08601	52.1
97.02856	8.4
97.06515	36.0
97.10172	9.8
98.21532	7.2
99.04431	8.0
99.08070	17.9
105.07019	63.0
107.08587	60.0
109.06500	26.7
109.10139	40.6
111.08076	8.6
113.05980	12.2
117.07023	26.1
119.08600	65.6
121.06483	9.7
121.10123	36.7
123.08070	26.2
125.09589	15.5
128.06192	17.0
129.07018	13.6
131.08571	67.6
133.10129	32.8
135.08096	35.6
135.11670	12.2
135.47868	8.6
137.09601	16.6
139.11099	9.5
142.07738	16.6
143.08531	39.6
145.10118	55.0
147.07991	19.1
147.11699	32.1
149.09618	24.1
151.07521	12.1
151.11165	27.7
155.08540	21.3
156.09396	13.2
157.06419	8.0
157.10094	39.5
159.08064	13.3
159.11688	27.9
160.08807	8.3
161.09616	36.4
161.13257	12.0
165.07065	11.2
165.12799	9.5
168.09351	11.1
169.10065	16.0
170.10886	8.7
171.11639	34.1
173.09633	19.9
173.13246	9.6
175.11169	13.4
175.14827	10.4
179.08591	7.6
181.10136	11.1
183.11746	18.5
185.13199	17.9
187.11224	9.9
189.12697	19.1
193.10049	7.6
194.10890	10.8
195.11667	20.8
197.13252	14.2
199.11261	12.6
199.14807	18.5
201.12770	10.8
203.14354	15.6
206.10826	8.5
207.11801	15.9
207.13641	13.4
209.13190	17.5
211.11217	11.6
211.14873	11.6
213.12766	21.2
215.14366	11.8
221.15352	15.1
225.12877	11.2
225.16307	11.3
231.17502	7.9
235.14771	10.6
237.12764	10.0
239.14209	9.1
241.15881	10.2
245.13533	10.7
251.17799	12.4
265.19653	8.7
267.17450	13.7
269.15286	13.3
275.17923	7.9
277.21613	32.3
293.18762	10.3
309.22299	14.3
311.19983	12.7
333.22083	17.7
351.22717	34.4
369.13226	7.8
369.24106	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2422
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
52.59908	6.7
55.05506	17.7
57.07064	10.0
59.04989	7.0
67.05492	40.3
69.07050	37.2
71.61040	13.0
79.05489	26.8
81.07067	36.8
83.08596	18.1
83.33804	8.5
85.06549	9.9
91.05472	50.4
93.07037	57.2
95.04961	32.2
95.08600	79.4
96.37887	7.5
97.06553	11.3
105.07034	65.2
107.04935	11.3
107.08588	53.4
109.06498	15.4
109.10138	39.5
111.08089	30.0
117.07029	18.5
119.08567	100.0
121.06519	15.8
121.10117	48.4
123.08064	9.4
123.11736	11.4
128.06187	9.5
129.07019	21.1
131.08559	41.5
133.10117	45.9
135.08051	24.7
135.11681	26.1
137.05968	66.1
137.09622	15.3
142.07791	10.2
143.08548	34.3
144.09322	8.8
145.10152	50.8
147.08029	14.0
147.11676	19.6
149.09622	29.9
149.13229	13.0
151.07555	10.1
155.08601	10.9
156.09361	17.0
157.10129	41.5
158.10904	11.4
159.08034	15.0
159.11768	41.3
161.09666	21.9
161.13220	13.6
169.10107	21.4
171.11676	35.6
173.13280	28.9
175.14854	24.6
177.09099	11.2
181.10175	15.8
183.11690	27.9
185.13239	12.0
187.14873	21.5
189.12726	11.6
195.11716	11.3
197.13203	17.2
199.14806	14.7
207.11726	11.7
207.13651	11.9
209.13258	26.9
211.11145	10.2
211.14845	11.6
213.12747	9.8
215.14449	15.1
219.13860	7.5
221.13310	9.8
225.16382	9.4
229.12247	11.5
233.15326	11.1
238.13573	9.2
257.15375	10.9
333.34097	7.7
351.23248	32.7
369.24289	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2421
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03933	17.1
55.05494	27.7
56.96555	29.9
57.03427	18.2
61.02919	17.3
65.79856	9.9
67.05499	100.0
69.03403	26.7
69.07057	43.8
70.99117	9.5
71.00327	24.9
71.04986	19.9
73.02886	13.0
79.05482	43.4
81.03413	22.3
81.07050	92.1
83.04969	12.8
83.08602	20.3
85.02879	32.7
85.06506	11.5
91.03927	13.9
91.05486	57.8
93.07034	89.4
95.04982	55.6
95.08612	73.3
97.02878	18.0
97.06526	16.8
105.07024	81.5
107.04983	11.2
107.08595	62.8
109.02826	10.5
109.06521	14.5
109.10130	61.4
117.07008	34.6
119.08576	86.6
121.10139	84.9
123.08021	29.4
123.11681	26.0
127.03921	17.6
129.06978	32.2
131.08537	73.8
133.10118	45.9
135.08006	27.8
135.11633	20.4
141.06947	12.2
142.07787	19.4
143.08536	36.1
145.10075	62.9
147.08011	29.8
147.11670	24.1
149.09602	33.6
155.08556	12.5
156.09377	21.3
157.10156	34.4
159.08107	11.1
159.11662	34.8
161.09572	19.3
161.13223	20.5
167.08591	18.5
169.10114	52.1
171.11642	30.0
173.09619	39.8
173.11769	20.1
173.13145	17.6
175.11203	12.5
181.10190	19.7
182.10818	14.6
183.11729	27.0
185.09550	17.2
185.13200	10.5
187.11119	13.1
188.67468	11.6
189.12746	22.0
195.11707	30.1
207.11731	19.1
207.13696	17.3
209.13197	19.3
211.11139	15.2
211.14684	16.0
213.12683	16.1
217.07314	13.2
223.14752	12.8
229.07494	41.4
229.12279	22.5
229.14290	23.3
233.15314	39.7
235.14746	17.6
243.08781	14.3
247.08435	40.2
273.10092	13.4
293.18851	14.4
309.22144	21.7
349.16891	20.0
351.23077	42.8
365.16168	12.0
367.17792	23.2
369.24152	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01863	9.1
55.05507	7.8
56.96556	2.4
57.03431	3.3
57.07059	0.9
57.35978	1.0
67.05496	12.5
69.03417	3.3
69.07070	9.8
71.04987	1.4
71.60036	1.2
79.05483	8.6
81.03386	1.8
81.07052	35.4
83.04971	3.7
83.08612	2.3
85.02919	1.6
91.05470	6.7
93.07030	7.7
95.04971	2.7
95.08602	8.4
97.06522	3.9
99.08133	1.2
105.07020	6.8
107.08586	7.6
109.02853	1.3
109.06509	14.6
109.09470	1.1
109.10135	4.8
111.04436	16.7
111.08040	1.9
116.98650	1.1
117.06963	1.9
119.06180	1.1
119.08552	6.2
121.06491	2.0
121.10136	6.5
123.08067	5.1
123.11708	2.5
125.06004	6.6
129.06935	1.1
131.08560	3.9
132.52832	1.1
133.10133	4.9
135.08057	3.6
135.11618	6.3
137.05968	100.0
137.13239	1.6
138.06332	2.3
138.10670	1.0
139.07523	1.0
143.08566	3.1
145.10107	3.8
147.08046	3.3
147.11653	8.6
149.09576	5.4
149.13310	1.8
151.07520	3.7
151.11224	2.1
157.10118	2.7
159.11690	1.9
161.09642	7.7
161.13225	2.9
163.11186	2.9
163.82094	1.2
165.09128	2.8
167.10648	1.3
171.11671	1.6
175.11177	5.1
175.14839	1.9
175.69385	1.0
177.09050	1.2
179.10666	2.2
183.11749	1.3
185.13229	1.5
189.12723	2.1
193.12265	2.3
197.13260	1.0
203.17943	8.2
213.16316	2.2
221.18977	3.2
231.17421	10.7
241.15834	2.2
249.18460	13.6
250.18956	1.2
277.17963	55.7
278.18311	2.2
295.19012	24.0
296.19235	1.2
345.92059	1.1
351.21579	9.0
369.23001	4.7
370.17322	1.1
394.02679	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	369.118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47035	0.7
55.05508	1.3
55.79084	0.8
57.03426	1.0
60.04511	1.4
67.05492	1.4
69.03410	2.6
69.07076	0.8
69.70834	4.4
70.06585	3.5
72.08137	1.4
79.05469	1.2
79.91641	0.7
81.03423	1.6
81.07041	1.4
83.04973	1.6
84.08115	1.7
85.02898	4.4
85.39765	0.6
86.09700	1.4
87.04446	0.7
89.03900	8.5
91.05461	2.5
93.07015	1.4
94.45648	0.7
95.04956	2.2
95.08601	1.6
97.02893	1.5
97.21734	0.8
98.21432	1.3
99.04443	0.9
105.03393	4.9
105.06998	3.2
106.04227	0.7
106.34295	0.8
106.61118	0.6
107.04929	0.8
107.08557	1.2
109.02864	0.7
109.06445	1.2
111.04429	0.9
116.42439	0.6
117.03374	27.4
117.06996	1.2
119.04955	1.3
119.08555	2.1
120.08071	1.4
121.06505	1.7
121.10114	0.9
121.64577	0.7
131.08540	0.8
133.10101	1.4
134.03603	3.5
135.04372	1.7
135.08049	1.3
137.05959	1.2
137.09506	0.9
137.48248	0.7
140.68842	0.7
143.08537	1.3
145.02838	54.0
145.10045	1.5
146.03169	1.0
147.08025	1.2
147.11668	1.1
149.05992	9.1
149.09569	2.7
151.11234	3.5
154.29865	0.7
159.08026	1.1
161.09575	1.6
161.13257	0.8
163.11183	1.8
174.10432	1.1
177.05457	100.0
178.05779	1.9
179.06937	1.6
189.12660	3.9
191.14325	4.2
207.06589	1.2
207.13843	5.0
248.12305	0.9
265.12717	0.7
364.09985	1.0
369.15323	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	369.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
54.94294	0.6
55.01852	0.7
55.05497	1.6
56.96547	2.7
60.04521	0.7
65.48380	0.6
67.05495	3.5
69.03415	2.8
69.07048	1.3
69.69025	2.2
69.69440	1.7
70.06584	4.0
72.08132	2.1
79.05473	1.6
81.03413	2.4
81.07047	1.8
83.04971	2.4
84.04496	0.9
84.08130	2.0
85.02896	3.3
85.06495	0.7
86.09690	1.9
89.03907	12.2
91.05474	5.1
92.05817	0.9
93.07040	1.5
95.04957	3.0
95.08597	1.6
97.02888	1.0
97.06516	1.3
99.04456	0.7
103.05484	1.1
105.07020	2.3
107.04984	1.4
107.08549	1.6
109.02840	1.1
109.06490	1.1
109.10139	1.5
110.07123	0.8
111.04443	2.1
111.08045	1.1
117.03382	6.8
119.04932	4.4
119.08585	1.8
120.08102	1.4
121.02892	1.2
121.06480	1.6
121.10113	1.0
123.04359	1.4
127.03835	0.7
129.05478	1.0
129.10191	1.5
133.02826	1.2
133.06439	1.1
133.10095	2.0
134.03610	4.3
135.04402	9.2
135.08011	1.3
135.11722	0.6
135.34395	0.6
136.07594	3.4
137.05971	1.2
137.07939	1.2
137.09628	1.1
139.03893	0.9
145.02838	4.5
147.04399	6.5
147.11607	0.7
149.05975	15.1
149.09598	1.7
151.07466	0.8
151.11180	2.0
159.08069	1.0
161.09639	1.5
161.13220	0.8
162.03201	0.8
163.03894	16.0
163.11234	1.5
165.09108	0.9
171.11241	0.7
175.03928	1.4
177.05458	100.0
178.05807	1.9
179.03336	3.8
179.10628	1.1
189.12729	1.8
191.14244	0.9
195.02870	0.9
195.06570	0.7
207.06406	3.9
207.13776	2.4
222.83284	0.6
240.08492	0.6
253.09644	1.0
266.11285	0.7
267.14334	1.1
306.96561	0.7
346.06787	1.2
347.10120	1.0
351.11285	0.7
357.21307	0.7
357.78625	0.6
364.08188	1.2
369.15073	2.7
369.19540	0.9
369.24228	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	369.1179
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
51.91591	1.2
52.36043	1.2
52.41251	1.2
55.01877	2.3
55.05503	3.3
56.05018	1.8
56.96544	1.9
57.23249	1.2
57.23584	1.4
60.04506	2.6
61.02924	1.9
61.54644	1.4
67.05524	1.7
69.03426	4.6
70.06586	20.2
71.43952	2.1
72.08140	5.6
72.93793	2.1
73.02891	1.8
79.05482	2.1
81.03399	2.7
81.07034	1.8
82.06568	1.4
83.04974	1.5
84.04540	2.7
84.08150	10.4
85.02883	5.2
86.09701	14.0
87.00821	1.6
89.03910	9.1
91.05473	5.9
93.07029	2.7
95.04948	2.0
97.02881	3.2
98.97575	3.0
102.01757	2.3
102.05604	1.7
105.07032	2.8
106.02910	2.5
106.06548	1.5
107.04967	2.5
109.02872	2.2
110.07161	3.2
111.04434	2.7
116.07079	1.8
116.98581	1.9
117.03379	22.9
119.04915	4.1
119.08569	2.6
120.04485	1.8
123.04395	1.7
124.03960	2.8
127.03893	2.6
129.05511	1.7
129.10228	4.5
134.03609	2.6
135.04482	2.2
136.07579	4.2
136.59430	1.4
140.07080	2.0
145.02843	55.8
145.04002	3.0
145.06500	2.1
146.03137	2.0
147.04378	5.0
147.37193	1.4
149.05997	8.1
158.97411	3.2
162.96866	1.9
163.03842	2.1
165.09178	1.5
170.42250	1.8
175.03967	3.9
177.05463	100.0
178.05798	2.7
191.11838	2.4
195.06187	2.0
205.04628	1.9
207.02271	2.0
207.06422	6.8
216.98039	1.8
219.01753	2.0
224.98473	2.6
234.99010	7.9
237.12360	2.4
238.07980	1.5
341.26416	2.3
351.01660	4.7
351.19333	2.1
369.11682	2.0
369.16388	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	369.1178
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
50.07096	0.3
53.03931	1.0
53.86438	0.3
54.58181	0.3
55.01862	1.0
55.05507	0.7
56.05015	0.3
56.96556	1.4
57.03181	0.6
57.03432	6.9
61.02911	1.2
64.76274	0.3
65.03931	1.0
67.01834	0.4
67.05502	1.8
69.03417	3.7
70.06586	2.1
70.08073	1.9
71.01349	8.3
71.04987	1.5
72.08147	0.6
73.02908	9.7
75.04471	1.3
76.09035	0.3
77.03931	0.3
79.05476	1.5
81.03413	1.4
81.07050	0.5
83.01337	1.1
83.04976	0.9
84.08139	1.4
85.02895	17.8
86.09695	1.2
87.04461	1.3
90.95325	0.3
91.05470	100.0
92.05815	1.7
93.07030	0.6
95.01315	4.2
95.04971	2.6
95.08598	0.4
97.02880	6.4
97.06523	0.5
98.21452	0.3
99.00800	2.7
99.04433	2.2
101.02377	1.9
103.03937	2.5
103.05428	0.4
105.03383	21.3
105.07041	0.9
107.08578	0.7
107.72686	0.4
108.08122	0.4
109.02869	0.5
109.06493	0.3
109.10115	0.7
110.07184	0.6
110.97467	0.4
111.04464	0.6
113.02355	6.9
115.03968	0.4
116.07137	0.3
117.01798	0.4
117.03393	0.4
117.05476	0.7
117.07061	0.3
119.04901	0.9
119.08550	0.5
120.08100	1.2
121.06465	0.5
121.08443	0.4
121.10149	0.5
123.00861	0.5
123.04402	1.8
127.03928	0.6
129.05542	0.3
129.10265	0.5
131.03386	5.5
131.08633	0.4
133.10165	0.4
135.08130	0.4
136.07571	0.5
137.05951	4.4
137.09647	0.9
141.01819	9.1
141.05426	0.4
143.08560	0.4
145.02829	1.1
145.05000	1.4
147.04373	0.8
149.04195	0.4
155.03337	0.3
159.02852	2.7
159.06528	0.5
161.09576	0.5
168.19312	0.4
169.04987	1.0
175.03911	1.1
177.05443	1.9
179.07028	5.9
187.06036	1.4
189.12723	0.4
193.08580	19.6
194.08948	0.7
197.04518	1.0
207.06483	3.3
207.13782	0.4
215.05473	2.3
221.08116	0.6
235.09615	3.1
266.11826	0.4
284.12497	0.4
315.08530	0.8
323.11496	0.5
333.09583	0.5
346.07162	0.8
364.08237	1.2
369.11774	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	367.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
53.59155	3.1
55.01862	3.5
55.05505	23.0
57.03409	2.8
57.07059	6.2
59.04983	3.2
60.84949	2.6
65.03923	3.4
67.05499	47.3
69.03417	6.4
69.07062	22.4
70.65191	9.5
71.04985	6.2
76.27462	2.9
79.05485	31.7
79.91644	2.8
81.07053	49.1
83.04964	4.4
83.08608	8.9
85.06521	6.6
91.05470	58.8
91.28160	3.0
93.07035	82.5
95.04956	36.1
95.08596	62.6
97.06522	10.6
97.10126	3.2
103.05502	5.1
105.04610	3.1
105.07021	99.0
107.08586	52.7
107.24603	3.0
109.06505	16.7
109.10145	32.1
111.08042	8.2
116.06228	3.9
117.07024	19.5
119.08568	100.0
121.06493	10.6
121.10126	44.7
123.08048	11.4
123.11698	17.5
128.06204	15.9
129.07002	15.8
130.07758	11.1
131.08572	54.7
133.10112	55.2
135.08026	17.7
135.11670	23.1
137.09602	6.7
141.06987	6.4
142.07758	28.2
143.08553	39.3
144.09305	9.0
145.06458	6.4
145.10117	74.0
146.07245	7.4
147.08028	10.7
147.11671	17.7
149.09587	14.7
149.13235	4.0
155.08539	10.8
156.09325	20.9
157.10126	52.7
158.07236	4.1
158.10847	9.4
159.08066	4.0
159.11690	41.1
160.12248	3.2
161.09602	43.0
161.13237	8.8
163.11171	3.9
163.14777	4.3
165.07045	5.6
167.08543	10.1
168.09346	4.8
169.10141	19.5
170.10852	12.9
171.11678	30.0
172.08745	3.5
172.12369	5.1
173.09566	7.9
173.13257	27.6
175.11211	8.6
175.14789	21.5
179.08528	12.0
181.10114	12.2
182.10863	6.8
183.11699	19.5
184.12474	6.2
185.13239	21.3
186.13995	3.3
187.11139	5.4
187.14813	13.3
189.12650	4.9
194.10872	9.0
195.11610	14.1
196.12549	4.0
197.13289	20.5
199.14806	16.0
201.12767	6.5
201.16425	7.8
207.11723	5.4
209.13242	24.7
210.13939	3.5
211.14815	11.1
213.12724	5.7
213.16447	6.8
215.14394	4.1
219.11703	3.4
221.13286	4.3
223.14816	10.1
225.16412	4.8
227.14296	16.6
229.16093	3.6
237.16374	5.0
239.17867	5.5
251.17943	4.1
255.17482	6.5
257.18872	5.1
265.19443	5.7
267.17377	4.1
349.25125	9.4
367.26471	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	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.3
55.05507	33.7
57.07066	9.7
62.68357	4.0
63.94701	3.7
67.05498	48.0
69.03422	11.7
69.07080	30.4
69.82118	24.1
71.04971	10.3
72.55972	4.2
79.05485	46.1
81.06635	5.5
81.07054	58.5
83.04979	4.5
83.08597	12.7
84.02538	4.2
85.06518	9.8
91.05468	57.8
93.07038	81.5
95.04969	46.8
95.08598	64.9
97.06503	12.6
105.07019	99.3
105.07678	8.8
107.08588	62.0
109.06503	17.9
109.10146	45.3
110.10506	4.1
111.08082	5.8
117.07025	21.3
119.08574	100.0
121.06467	13.0
121.10123	49.4
122.59246	5.0
123.08081	5.1
123.11691	12.5
128.06197	11.7
129.07031	20.4
130.07797	6.4
131.08549	62.7
133.10106	62.3
135.08002	13.2
135.11671	27.2
137.09593	6.3
140.10690	6.4
141.06949	6.8
142.07805	20.0
143.08539	41.0
144.09308	11.0
145.10104	77.8
146.10706	5.7
147.08003	8.1
147.11687	18.4
149.09621	22.8
149.13225	6.3
155.08531	12.4
156.09308	16.7
157.10103	65.6
158.10892	10.3
159.08127	7.0
159.11678	49.9
161.09618	47.4
161.13269	16.1
163.11194	5.8
167.08572	7.2
169.10106	19.8
170.10892	10.7
171.11635	23.8
172.12350	4.4
173.09651	8.3
173.13206	28.3
175.11237	6.6
175.14848	20.1
179.08530	13.4
181.10094	13.2
182.10898	6.8
183.11697	25.0
185.13260	18.9
187.14746	25.8
194.10902	6.6
195.11601	14.3
196.12469	5.4
197.13185	17.8
199.14803	17.6
201.12679	6.0
201.16338	7.7
207.11655	5.2
208.12256	4.0
209.13229	16.1
211.14818	9.2
213.12836	6.9
213.16371	4.7
215.17970	6.4
221.13205	7.1
223.11674	4.2
223.14751	5.2
224.27777	4.1
225.16389	10.0
227.14226	23.1
239.17888	10.8
249.16489	6.3
251.18033	6.5
255.17419	5.9
265.19574	6.1
269.18982	5.3
275.17883	5.8
275.20615	4.4
283.20621	5.4
308.22955	5.6
349.25305	10.2
367.26199	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65734	3.3
53.03935	8.2
53.85653	2.9
55.01864	24.4
55.05508	62.5
56.96570	14.2
57.03231	2.4
57.03436	30.6
57.07049	3.9
59.04984	3.0
65.03912	3.7
67.05500	93.3
69.03416	13.4
69.06720	3.4
69.07066	47.5
70.28297	13.7
71.04980	11.4
71.08623	6.3
71.62799	2.8
73.02884	2.8
79.05052	5.8
79.05490	81.4
81.03403	11.5
81.07050	100.0
83.04974	31.6
83.08609	44.1
85.02908	9.1
85.06535	7.8
91.03894	2.8
91.04955	5.0
91.05476	55.7
93.07036	79.0
95.04962	43.7
95.08604	53.9
97.02877	5.0
97.06524	22.6
97.10149	15.8
99.04453	11.8
99.08095	5.1
105.06389	4.1
105.07036	52.4
107.04929	20.7
107.07870	4.0
107.08592	62.5
109.06519	14.2
109.10147	31.2
111.04432	31.5
111.08075	11.7
116.98576	3.5
117.07026	19.6
119.08575	36.9
121.06496	11.8
121.10145	44.0
123.08056	12.5
123.11694	15.2
125.09624	11.1
128.98558	3.7
129.06999	12.1
131.08566	24.8
133.06487	3.0
133.10115	29.6
135.08049	11.3
135.11688	23.5
137.09621	11.3
139.11224	4.5
142.07787	3.8
143.08554	6.1
145.10117	26.5
147.08015	6.2
147.11707	18.5
149.01169	5.2
149.09610	37.2
149.13220	8.2
151.11166	4.8
153.09154	4.3
154.03481	2.6
157.10121	6.1
159.11682	11.3
159.25685	3.7
161.13277	4.7
163.11191	30.3
164.14426	3.0
165.12756	6.8
169.10153	6.4
173.09589	4.8
173.11852	5.2
173.13243	7.2
175.11197	4.7
177.12747	10.2
181.12234	5.1
183.11664	5.3
185.13306	3.7
187.11176	4.9
189.00371	2.9
189.11232	11.6
191.14349	3.0
193.12331	3.8
195.13789	3.4
197.13322	5.2
205.12270	8.7
223.13258	41.1
227.12883	4.1
229.19518	5.6
235.16910	3.1
247.20580	7.3
257.18961	11.5
275.20044	82.4
276.20313	4.6
285.25037	2.9
293.21045	31.9
349.23566	9.9
358.16168	5.7
367.17624	8.4
367.25162	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.01867	19.3
55.05509	39.7
57.03223	2.3
57.03438	26.7
57.06779	2.3
57.07061	9.3
65.03909	3.7
67.05501	97.6
69.03410	5.5
69.07063	21.2
69.37827	22.6
71.04974	7.4
71.08618	10.8
72.47475	2.5
79.05485	44.2
81.03408	15.2
81.06571	5.4
81.07052	100.0
83.04953	17.1
83.08622	16.4
85.06524	8.9
85.10175	4.5
91.05479	71.4
93.07036	54.8
95.04959	27.4
95.08603	47.2
97.02896	3.7
97.06517	12.3
97.10172	5.1
98.21441	4.7
99.04484	2.9
99.08080	10.7
105.07022	59.5
107.04946	17.3
107.08586	48.3
109.06493	10.4
109.10158	49.8
109.10892	3.3
111.08064	4.3
117.07002	14.7
119.08589	23.9
121.06485	8.1
121.10136	19.4
123.08046	15.7
123.11697	11.9
125.09626	11.6
128.06126	3.9
129.06998	4.6
131.08557	19.7
133.10121	80.0
135.11673	13.5
137.09631	19.1
139.11197	3.6
142.07669	2.7
143.08536	4.8
145.10114	12.2
147.08023	4.9
147.11700	8.9
148.64389	3.4
149.09604	7.6
149.13225	5.0
151.11171	43.0
157.10103	4.2
159.11670	10.3
161.09613	3.1
161.13222	4.2
163.11180	11.1
165.09201	4.5
165.12782	4.8
167.99017	3.0
169.12215	5.4
171.11638	3.2
173.13245	6.8
175.11278	3.5
177.12746	7.2
187.14694	3.3
195.13791	4.9
229.19569	4.0
235.04077	3.0
239.18027	3.0
247.20628	8.1
253.14381	9.0
257.19061	4.4
257.47281	3.4
275.20047	29.3
293.21121	17.8
306.55386	3.2
317.37372	3.3
349.23813	3.2
367.16693	2.8
367.24878	30.9
393.91370	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
54.86760	3.0
55.01863	25.8
55.05504	43.0
55.67359	2.6
56.96561	9.6
57.03429	17.7
57.07056	4.3
59.04985	4.8
61.02919	7.8
65.03919	5.6
67.05498	95.6
68.05839	3.1
69.03424	7.3
69.07064	37.7
70.27605	12.5
71.04986	11.1
71.08636	3.8
79.05486	63.9
81.03404	12.0
81.06571	5.2
81.07048	87.4
82.07381	3.0
83.04966	17.6
83.08613	19.3
84.08127	2.9
85.02888	10.2
85.06528	4.4
91.05473	57.8
93.07037	53.3
95.04965	27.7
95.08589	45.7
96.08974	3.3
97.02887	7.2
97.06518	31.0
97.10164	11.6
98.09687	5.2
99.08086	8.6
105.07030	43.6
107.04955	18.3
107.08587	54.4
109.06523	11.6
109.10145	32.9
111.04450	6.6
111.08073	10.4
117.06306	2.6
117.06988	16.5
118.97987	4.3
119.08570	34.6
121.06488	15.5
121.10141	25.7
123.08054	6.4
123.11683	6.6
125.09634	15.3
125.10422	2.6
126.70699	2.6
129.07005	7.0
131.08556	27.2
133.06444	3.7
133.10136	27.5
134.99582	3.0
135.08025	10.4
135.11668	17.5
137.06033	2.6
137.09608	10.3
143.08577	5.1
145.06519	3.5
145.10103	30.0
147.08047	5.3
147.11681	18.7
149.09593	34.1
149.13210	6.0
151.11224	8.2
155.08589	4.9
157.10065	6.6
159.08003	3.4
159.11665	18.3
161.01216	3.8
161.09659	4.6
161.13242	6.4
163.11214	18.3
165.12762	6.1
169.10107	3.9
171.10217	4.3
171.11670	4.0
173.09578	5.1
173.11696	8.0
173.13269	9.8
177.12743	8.2
179.14305	2.9
183.11754	5.0
185.13376	3.0
185.69035	2.9
189.11209	8.2
191.00108	5.2
191.02298	3.9
193.12276	5.4
197.13321	5.8
205.12190	3.5
211.13197	6.1
223.13391	4.6
229.19493	6.3
239.17938	4.5
243.08801	3.6
245.14096	3.2
247.08455	3.6
247.20526	8.2
255.08913	3.3
257.18951	18.6
267.08987	4.0
269.17435	5.6
275.10477	3.5
275.20038	100.0
285.10104	8.3
293.21005	16.1
349.23828	32.2
350.23413	3.3
367.17807	6.1
367.25110	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.01852	5.4
55.05513	15.4
55.46519	1.8
56.96560	2.9
57.03424	5.4
57.07057	3.5
62.43444	1.4
65.03922	1.6
67.05172	2.0
67.05503	32.8
69.03419	3.5
69.06772	1.5
69.07070	18.7
70.77457	4.4
71.04982	4.1
71.08605	4.2
71.95159	1.3
72.75916	1.5
77.24635	1.4
79.05064	2.0
79.05493	21.4
81.03420	3.3
81.07052	28.8
83.04984	8.4
83.08603	7.7
85.02892	2.0
85.06529	2.6
91.04949	2.4
91.05476	25.4
93.07047	28.6
95.04980	9.2
95.08599	20.0
97.02903	1.6
97.06516	6.8
97.10167	3.9
99.08081	4.0
103.28094	1.4
105.07024	26.8
107.04951	7.5
107.08586	16.4
109.06526	11.4
109.10153	13.6
111.08069	3.7
114.21199	1.4
116.98505	1.4
117.07039	8.0
119.08582	18.7
121.06522	9.4
121.10146	11.9
123.08091	8.4
123.11694	2.9
125.09638	3.9
128.06235	1.7
129.07011	4.6
131.08562	18.9
133.06436	2.6
133.10115	18.8
135.08035	6.4
135.11676	6.0
137.09576	2.7
139.11258	1.8
140.98503	1.4
143.08513	4.0
145.06470	2.4
145.10120	15.3
147.07999	3.8
147.11725	11.4
149.09607	6.9
149.13202	3.1
151.11163	5.3
155.08556	3.4
157.10115	5.1
159.08084	3.1
159.11667	10.7
161.09633	3.8
161.13205	4.0
163.11159	6.2
163.14883	1.9
165.12947	1.8
167.03488	2.4
169.10080	2.5
171.11740	3.5
173.13255	6.8
174.99004	1.6
175.11171	3.6
177.12723	2.6
183.11676	3.4
185.13176	1.7
186.36417	1.5
187.11174	2.9
187.14754	1.9
189.00426	1.6
191.14262	2.6
197.95120	1.5
201.12854	3.2
207.13739	2.1
215.17816	1.5
219.13782	3.6
229.03564	1.8
229.19450	3.5
236.92595	1.7
239.17947	2.8
247.20541	4.3
257.18976	11.4
275.20065	100.0
276.20526	3.8
293.21024	12.1
307.84225	1.4
341.94241	2.2
349.14542	1.9
349.23804	27.5
367.25067	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01873	19.6
55.05507	36.0
55.40398	2.0
57.03436	18.4
57.07066	4.2
65.03927	2.7
65.75644	1.8
67.05503	68.0
68.59539	1.8
69.03419	6.3
69.07066	38.2
70.85313	2.6
70.85661	4.6
71.04987	5.5
71.08615	8.6
79.05056	3.7
79.05489	55.2
81.03401	4.5
81.07055	100.0
82.07434	1.9
83.04980	11.6
83.08618	15.8
85.06539	5.7
91.05476	47.0
93.06462	3.2
93.07041	48.2
95.04980	12.9
95.08600	46.1
97.06516	20.2
97.10172	9.8
98.97550	2.0
99.08078	9.0
103.05469	2.3
105.07033	43.1
107.04942	10.9
107.08592	38.2
107.17804	1.9
109.06513	16.1
109.10150	24.6
111.08076	5.9
113.09695	2.2
117.07056	13.0
119.07783	3.5
119.08576	34.5
121.06503	6.2
121.10136	20.4
123.08051	6.3
123.11698	8.6
125.09616	10.7
129.06976	4.2
131.08574	18.6
133.10121	26.7
135.08047	7.4
135.11678	15.6
137.09616	5.2
143.08569	3.7
145.10104	19.6
147.11679	17.7
149.09610	17.8
149.13263	6.8
151.11157	6.6
157.10074	5.1
159.11662	14.3
161.13249	5.9
163.11182	10.7
165.12735	6.2
171.10216	4.6
171.11679	5.5
173.09660	2.3
173.13239	4.7
175.11150	4.6
177.12703	6.6
179.14340	3.6
185.13107	2.6
189.11198	7.8
193.12265	2.6
195.13780	2.7
197.13226	2.6
211.14818	2.7
227.12759	2.4
229.19576	2.8
239.17953	5.0
247.20575	5.0
251.20053	2.5
253.18077	2.2
257.19009	11.0
269.17429	5.2
275.20035	61.8
276.20386	4.3
293.21115	25.3
321.23941	2.1
349.23761	19.6
367.25061	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62333	1.3
53.03939	2.3
55.01864	8.7
55.05510	24.6
56.96554	1.7
57.03223	1.2
57.03437	11.3
57.07062	2.3
65.03935	2.3
67.05499	38.5
69.03440	5.6
69.07065	30.0
69.42225	2.6
69.42628	8.1
70.06549	1.4
70.95879	1.3
71.04983	3.1
71.08630	25.1
72.47616	1.1
72.93798	1.1
79.05056	2.4
79.05490	31.4
81.03412	5.2
81.07054	50.9
81.40653	1.0
82.07384	2.1
83.04972	6.9
83.08615	9.6
83.78186	1.3
84.08144	1.2
85.06557	2.8
91.05473	25.3
93.07044	24.4
95.04951	11.2
95.08599	21.6
97.06531	6.0
97.10174	8.5
99.08082	23.7
105.07027	20.5
107.04939	6.8
107.08593	14.5
109.06534	6.7
109.10154	12.2
111.08081	3.9
116.98499	3.2
117.07026	7.0
119.08595	16.0
121.06490	5.0
121.10137	10.0
123.08067	3.8
123.11681	3.8
125.09604	5.9
128.46265	1.1
129.06987	3.7
131.08560	7.7
133.06442	1.1
133.10123	12.3
134.99518	1.2
135.08025	3.6
135.11649	6.5
137.09615	2.3
139.11188	2.6
140.98480	2.2
141.09082	1.2
143.00041	1.5
143.08551	2.6
145.06461	1.3
145.10103	10.7
146.99557	1.3
147.11674	7.6
149.01208	2.3
149.09625	5.7
149.13235	4.2
151.11177	3.8
157.10056	1.8
159.08069	1.3
159.11717	4.2
161.13213	2.3
162.56953	1.1
163.11211	4.0
165.12738	5.9
167.10675	4.1
169.10155	1.6
171.11632	1.4
173.09729	1.4
173.13312	3.1
174.99016	3.8
177.00603	1.5
177.12782	2.7
183.11697	1.7
187.14882	1.7
189.00557	3.1
189.11201	4.2
191.14275	1.4
227.12779	1.3
229.19514	2.5
235.16939	1.5
247.08539	1.7
247.20567	3.8
257.19028	2.2
269.17438	2.0
275.17239	2.5
275.20047	26.6
276.20352	1.6
285.63766	3.7
293.21085	100.0
294.21378	5.3
349.13266	4.9
349.23993	5.4
367.15363	3.8
367.24960	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
55.01859	3.6
55.05508	25.8
55.60322	1.2
56.96550	3.2
57.03426	8.0
57.07063	1.5
58.05521	1.1
67.05497	24.0
69.03407	5.1
69.07065	15.4
70.51004	4.4
71.04990	1.4
71.08626	41.8
72.93762	1.6
78.08059	1.2
79.05488	17.9
81.03406	9.2
81.07051	19.7
83.04955	4.5
83.08607	11.3
85.06519	1.8
91.05478	11.4
93.07038	12.1
95.04961	8.8
95.08606	9.4
97.02911	2.0
97.06521	2.7
97.10151	11.4
99.07480	1.9
99.08093	31.9
102.28226	1.3
105.06998	9.3
107.04931	4.3
107.08588	10.4
109.06515	3.0
109.10143	7.0
111.04433	1.2
111.08070	3.0
117.07003	2.9
119.08572	4.8
121.06471	3.5
121.10129	6.0
123.08092	2.9
125.09628	7.8
127.52776	1.6
129.07068	1.3
131.08554	3.5
133.10112	5.6
135.08099	2.9
135.11655	1.9
139.11172	2.2
143.00035	1.7
143.08565	1.8
145.10101	2.9
147.11740	1.6
149.09561	2.2
149.13217	3.4
151.11179	3.2
153.09048	1.5
157.10091	1.9
159.08020	1.4
159.11707	2.4
161.09517	1.4
161.13252	1.4
163.11179	2.0
165.12645	1.6
167.10600	2.9
169.10115	1.5
171.10217	1.2
173.13162	1.2
177.12769	2.2
185.01019	1.6
189.11180	6.0
193.12265	2.5
195.13795	2.0
204.05911	1.3
247.20543	2.2
275.20035	13.2
293.21088	100.0
294.21420	4.8
338.60367	1.2
349.14551	2.1
367.24960	25.5
368.24796	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	367.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63681	0.6
55.05491	3.2
56.05015	2.0
56.53485	0.7
56.96558	4.0
57.03428	1.6
57.93055	0.6
60.04511	1.9
67.05486	1.0
69.03426	1.0
69.07055	1.6
69.54480	3.1
69.54899	1.9
70.06584	41.4
72.08150	10.1
73.02895	1.5
74.06064	1.7
79.05470	3.1
81.04533	4.3
81.07047	9.4
82.06559	1.1
83.06089	2.2
84.04512	4.1
84.08133	13.3
85.02912	4.5
85.08457	0.9
85.08912	1.1
86.06097	0.7
86.09695	7.1
87.05569	0.8
88.03951	1.6
91.05475	4.1
93.06954	0.6
95.04959	0.7
95.06078	1.3
97.03998	2.5
97.07629	1.1
98.97540	0.9
102.05530	1.5
102.09182	3.7
103.03941	0.8
107.04940	10.3
108.05595	23.0
109.03953	1.0
110.06013	0.8
110.07141	7.8
112.08727	1.1
114.05528	1.3
119.04918	5.6
119.11800	2.6
120.05596	9.6
120.08083	2.1
121.08405	1.6
122.06020	0.7
125.07101	3.0
126.05422	0.7
127.03825	1.0
127.08653	0.8
129.10217	5.8
131.00150	1.8
131.04958	0.9
133.28006	0.6
134.39722	0.7
136.05049	28.6
136.07532	2.1
137.07024	1.1
140.14409	0.6
145.06422	0.9
147.04384	10.8
148.04758	1.8
149.01172	2.8
150.10223	1.3
153.05275	0.7
155.08162	0.9
158.15355	4.0
158.91336	0.7
160.08690	2.0
162.10190	0.8
163.03906	1.6
163.12234	1.0
164.04497	2.4
173.09227	0.9
177.11327	13.6
188.11806	0.9
190.13382	1.0
201.05528	0.9
205.10808	19.3
206.12932	4.0
208.14407	2.8
213.12363	2.3
215.09306	1.4
224.13873	0.8
225.12376	1.3
230.95195	0.7
233.10298	27.0
234.12358	3.1
251.11433	1.0
251.14931	0.8
252.13359	2.8
265.07062	2.2
285.17020	3.7
303.18082	4.0
313.16595	5.0
321.19174	2.9
331.17569	15.3
332.18036	0.9
349.18655	100.0
350.18906	3.0
363.07932	0.9
367.10059	2.3
367.19641	34.4
368.20035	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	367.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01869	2.8
55.05478	0.5
57.03432	5.2
57.35133	0.4
60.04518	0.8
60.24577	0.4
61.02913	1.0
62.02446	3.3
66.83346	0.3
67.05482	0.8
69.03421	15.3
70.06593	1.9
71.01350	3.3
71.04982	6.0
71.34807	0.6
72.08127	0.7
73.02898	1.4
74.06086	0.4
79.05458	0.6
81.03404	5.7
81.07059	0.8
84.04499	0.6
84.08121	0.9
85.02874	1.0
86.09689	2.1
87.04456	0.5
89.68176	0.4
91.05466	1.7
93.07005	0.9
95.04927	0.6
95.08587	0.8
97.02865	2.4
97.06529	0.5
99.03854	0.4
99.04450	6.8
105.07014	1.0
107.08565	0.5
117.05462	4.3
118.06501	2.7
119.08550	0.8
120.08080	2.3
120.08817	0.4
121.08423	1.3
121.10091	0.6
123.08089	0.4
125.09625	0.4
126.71619	0.4
128.10692	0.4
129.10246	0.6
131.08571	0.7
132.08049	1.2
133.02802	0.6
133.10167	0.7
135.06506	6.6
137.05975	0.6
145.07590	11.7
146.08307	0.4
147.07962	0.5
147.09137	10.3
147.10240	0.7
157.07605	1.1
159.08005	0.7
159.09157	13.1
159.11678	0.5
160.09869	1.6
170.08322	0.6
171.09181	0.8
172.08595	0.7
173.07063	1.7
173.10802	1.0
173.12923	1.2
174.06647	0.4
174.13188	0.8
175.08638	3.7
178.07123	2.3
182.08348	0.6
183.09206	0.7
184.09940	1.2
185.10728	7.9
186.11415	1.1
187.08644	3.4
187.12378	1.8
189.10239	0.5
190.09732	58.7
191.08133	100.0
192.08568	0.9
197.10722	3.6
199.08629	2.3
199.12263	3.2
200.09499	1.0
201.10201	1.3
202.09731	1.4
208.11563	0.6
211.08618	1.4
213.10202	3.3
215.08183	0.5
215.11780	3.2
217.09769	0.5
225.10234	4.9
227.08119	0.6
227.11737	1.1
229.09669	0.5
231.11319	0.9
233.09225	0.8
243.11287	2.8
245.09216	1.1
245.12859	1.1
253.09694	2.1
254.15292	0.4
257.01996	0.5
258.12326	1.3
259.10651	1.0
263.13870	2.5
269.57202	0.5
270.12338	0.6
271.10733	7.8
276.13229	0.6
283.58112	0.4
288.13388	1.7
289.11801	14.4
293.19574	1.0
306.14441	41.6
307.12762	4.2
324.15503	18.2
325.16098	0.5
349.15140	1.5
350.13489	0.7
367.16077	49.3
367.23395	2.0
368.16522	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	367.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12371	0.6
55.01855	0.9
57.03420	1.7
61.02905	1.2
65.59346	0.6
66.80207	0.8
69.03405	2.4
70.06583	1.5
71.21053	0.6
71.43511	1.4
73.02900	0.9
78.15304	0.7
81.03403	1.2
85.02900	10.5
91.05462	1.1
97.02876	2.1
99.04388	0.9
103.03934	1.3
109.61466	0.7
110.23891	0.7
115.05429	0.9
117.05733	0.9
117.07030	1.1
118.06541	14.5
127.03915	1.8
130.06522	7.0
132.08075	8.1
142.06509	2.6
143.07291	5.8
144.08066	15.4
145.07626	3.0
146.05998	53.3
154.06496	1.3
156.08067	9.4
158.05968	1.1
158.08357	0.7
158.09625	1.7
159.09152	3.8
160.07555	5.9
167.07220	0.7
168.06839	0.8
168.07999	4.6
170.05984	6.0
171.09203	0.9
172.07565	1.9
174.09259	0.8
178.04970	2.6
182.05954	1.1
183.06799	1.3
183.09157	1.8
184.07625	4.7
185.08368	1.2
186.05409	0.9
186.09111	1.0
188.07048	100.0
189.07378	0.9
200.07001	1.0
201.10249	0.9
202.08678	4.6
205.09706	38.9
206.04521	3.2
212.07063	0.9
217.09683	1.6
228.06546	1.0
229.09648	3.5
230.08096	32.6
247.10759	7.9
254.08090	0.9
258.11279	2.3
276.12271	1.3
303.13449	0.8
313.12149	0.7
314.10095	1.0
331.12817	2.5
332.11105	5.3
336.05807	0.7
345.88763	0.7
349.13800	2.1
350.12338	12.3
356.56372	0.7
367.14905	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	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23603	0.3
53.03917	1.2
55.01870	2.9
55.05503	0.8
56.31883	0.3
56.32174	0.3
56.96542	0.7
57.03432	5.0
60.04507	1.3
61.02904	1.3
61.91319	0.4
62.02436	3.2
67.05473	1.4
69.03423	15.4
69.07053	0.5
70.06573	2.0
70.73964	0.4
70.74298	0.8
71.01351	3.4
71.04990	6.5
72.08133	1.1
73.02901	1.8
79.05488	1.8
81.02978	0.6
81.03414	7.3
81.07030	0.8
81.65704	0.3
83.04948	0.8
84.08109	1.1
85.02874	1.0
85.06512	0.5
86.09698	1.9
91.05473	2.2
93.07018	1.3
95.04945	0.8
95.08569	1.0
97.02882	3.0
97.06484	0.7
98.64961	0.4
99.03831	0.4
99.04448	6.1
103.05439	0.4
105.06989	1.3
107.08553	1.1
109.06499	0.5
116.98659	0.4
117.05482	4.7
117.06947	0.7
118.06522	3.0
119.08578	0.4
120.08099	2.6
121.06481	0.7
121.08429	1.8
121.10159	0.5
122.01147	0.4
125.09585	1.0
129.07021	0.6
129.10239	0.7
131.04967	0.4
131.08517	0.9
132.08054	1.2
133.02805	1.4
133.10141	0.4
135.06512	6.3
136.07597	0.5
137.05933	1.0
137.09578	0.5
144.06863	0.5
145.07587	11.8
145.10074	0.5
146.08321	0.8
147.08128	0.4
147.09158	10.2
147.11655	0.4
157.07626	0.8
159.08142	0.7
159.09164	13.1
159.11729	0.4
160.05940	0.4
160.09909	1.5
170.08340	0.4
171.09097	1.1
172.08661	0.8
173.07108	1.4
173.10701	0.8
175.08659	2.5
177.00787	0.5
177.05324	0.5
178.07176	2.2
182.08383	0.7
183.09172	0.6
184.09927	1.4
185.10748	6.2
186.11478	1.3
187.08664	3.8
187.12285	1.3
189.10323	0.8
190.09731	56.2
191.08136	100.0
192.08528	1.9
197.10722	3.8
199.08568	2.3
199.12256	3.7
200.09401	0.9
201.10240	1.5
202.09715	0.5
207.06398	0.4
207.11276	0.8
208.11543	1.3
211.08659	1.1
211.22052	0.4
213.10245	2.9
215.11778	3.2
216.11481	0.3
217.09773	0.8
225.10219	6.4
227.11748	1.1
229.09798	0.5
231.11269	0.9
233.09123	0.5
236.11084	0.4
241.09720	0.7
243.11325	2.9
245.09285	0.8
245.12909	1.2
253.09590	1.8
258.12375	0.6
259.10849	0.6
263.13925	1.9
270.12317	0.4
271.10718	7.4
276.13559	0.5
281.14896	0.4
288.13489	2.8
289.11777	12.9
293.19348	1.2
306.14447	41.3
307.12643	4.8
323.08884	0.5
324.15512	17.0
325.15601	0.4
349.14868	1.1
367.08356	1.3
367.16068	47.9
367.22586	2.7
368.16382	1.5
380.03778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	2.6
56.05042	1.9
56.94290	3.2
56.96554	5.3
59.00385	1.8
60.04517	2.4
60.48391	1.9
61.02900	2.4
69.03423	3.5
69.07055	2.1
69.85071	8.0
69.85483	4.1
70.06585	46.5
70.95848	4.6
72.08158	4.2
72.93789	13.2
81.03402	3.6
84.04498	3.3
84.08119	7.4
84.96042	2.0
85.02906	13.1
88.96902	4.6
90.94813	13.2
91.05480	4.4
95.99681	1.9
97.02878	4.4
97.06416	1.8
98.21413	2.5
98.82941	2.1
98.97572	4.0
108.95882	4.6
110.07141	4.8
112.99176	2.1
116.96317	2.4
116.98607	5.7
118.06519	12.2
118.43040	2.2
119.04906	2.6
120.08077	3.1
122.07107	2.4
127.08663	21.5
128.96425	1.9
128.98595	4.4
129.10231	4.1
130.06502	4.5
131.00174	5.2
132.08063	7.8
132.95839	10.9
134.97334	3.7
134.99670	3.7
136.06134	2.3
136.07591	4.8
142.06567	2.0
143.07236	3.1
144.08092	14.8
144.95859	9.6
144.99460	5.3
145.07547	2.7
146.05994	32.4
146.99612	3.6
147.01022	3.3
147.04378	3.6
149.01210	11.2
150.96851	13.1
155.08154	12.3
156.08023	7.7
158.97386	16.0
159.09216	2.2
160.07585	4.4
160.98961	2.4
162.96867	12.9
163.00519	20.5
168.08093	2.8
168.95822	15.9
170.06003	7.5
174.96857	6.1
176.98425	16.2
179.00046	3.5
181.01526	3.8
184.07608	4.4
186.96849	12.2
187.00516	6.1
188.07050	61.2
188.98605	2.6
191.00009	2.2
199.00560	6.6
202.08553	4.7
204.97966	2.8
205.01559	23.8
205.09724	26.1
213.12315	8.2
216.97963	13.4
217.01559	20.4
224.13991	2.9
229.09750	5.1
230.08095	18.5
234.98988	53.5
241.01593	4.8
247.02705	6.7
247.10777	9.5
249.04337	3.3
252.13470	5.6
253.00017	8.8
258.11325	2.4
259.02570	2.6
289.03625	4.4
305.03076	3.1
307.04733	100.0
325.05991	3.6
332.11139	4.0
350.12341	9.0
367.15219	4.3
367.19659	3.8
371.47510	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	367.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.8
56.05007	1.7
56.94301	1.9
56.96563	14.8
60.04522	3.3
69.03422	4.4
69.07108	1.5
70.04708	2.4
70.05109	4.7
70.06586	100.0
70.95860	3.4
71.05022	1.8
72.08149	2.5
72.93781	12.0
73.02908	1.6
81.03400	2.9
83.04982	1.7
83.06091	3.9
83.13789	1.5
84.04504	6.8
84.08124	11.0
85.02898	5.7
86.09712	2.6
87.05573	1.5
88.03981	2.1
88.96903	3.8
90.94820	8.0
91.05455	2.3
97.02882	3.2
98.20849	2.0
98.97598	5.6
107.04939	1.9
108.95845	4.2
110.07181	7.3
114.70093	1.4
116.07101	4.7
116.98615	6.6
118.13682	1.3
119.00134	2.6
119.04947	2.9
119.70222	1.5
120.08118	8.7
122.07154	1.7
122.97322	1.3
127.08667	49.6
128.98625	2.6
129.10226	5.5
130.05035	2.4
130.06508	2.3
131.00142	5.9
132.95822	8.6
133.06075	2.6
134.99619	3.4
136.07558	9.5
144.95810	7.5
144.98091	2.9
144.99420	4.3
146.05986	3.3
146.97388	4.3
146.99670	3.7
147.00903	1.8
147.04425	3.8
149.01183	9.6
149.08105	1.8
150.96884	8.8
155.08147	36.7
158.97379	16.6
158.99551	1.9
161.01230	4.6
161.02966	1.5
162.96925	7.3
162.99123	7.5
163.00545	10.8
165.00636	2.0
167.02290	2.4
168.95792	10.5
174.96928	2.4
176.98447	14.2
177.00803	4.2
181.00150	3.8
182.06406	1.9
182.08025	2.5
186.08728	2.6
186.96846	9.7
187.00546	3.0
188.07106	6.1
193.03737	1.9
195.11095	1.9
199.00479	3.1
204.97911	4.6
205.00093	4.4
205.01779	7.6
205.09709	3.0
211.04909	2.3
213.12329	27.4
216.97961	11.2
217.01582	10.1
223.01231	13.1
224.13910	5.0
228.06737	1.9
230.08167	2.0
231.03044	1.9
234.98973	63.3
237.02779	4.1
241.02048	4.7
247.01343	5.7
247.10718	3.5
252.13438	11.2
253.00003	15.2
255.03842	6.0
265.02249	8.4
279.73700	1.5
289.03638	9.7
305.03046	3.5
307.04706	74.5
309.08401	2.6
310.17685	1.8
325.05722	3.4
332.10211	1.9
349.14807	2.2
349.18726	2.4
367.01315	2.9
367.05475	2.9
367.10315	2.5
367.19949	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	367.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02933	0.6
82.99860	0.2
98.19117	0.1
98.21465	0.2
101.00855	0.4
103.55657	0.1
118.38342	0.2
119.01914	6.6
122.97871	0.2
134.99821	0.5
137.02948	4.7
140.98816	0.3
142.03513	0.2
153.00946	0.7
158.99809	0.7
160.04417	0.2
161.69809	0.2
165.99652	0.2
175.03110	0.2
177.00943	18.5
178.01044	0.9
182.99898	0.5
193.04108	0.4
195.02071	0.7
200.02499	0.3
201.00954	0.7
201.02684	0.2
217.04062	2.8
218.03755	0.3
219.01996	23.8
220.02127	1.5
225.00829	2.0
226.01271	0.2
234.99944	0.6
236.00104	0.3
236.99821	0.3
242.03589	0.6
243.01944	4.9
253.00929	0.2
255.00868	0.2
258.99841	0.7
260.00098	0.6
260.04623	0.5
261.03046	100.0
262.00204	0.3
262.03156	5.2
263.03317	0.6
264.03198	0.2
266.03653	0.3
275.04605	0.4
277.00995	1.0
278.01135	1.3
279.01041	0.9
280.00891	0.5
281.00916	0.2
282.99875	1.0
284.00140	1.5
284.04623	4.1
284.99814	0.4
285.04871	0.3
301.00977	2.2
302.01178	4.1
303.00949	1.4
304.01099	0.2
312.44199	0.1
319.02100	0.3
320.02234	0.4
321.02039	0.2
325.00925	0.2
326.01215	0.3
330.98111	0.1
342.01871	0.2
343.02045	1.1
344.02209	1.8
345.01807	0.3
362.03284	0.5
367.02081	0.8
385.03140	4.1
386.03110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01878	0.6
55.05509	4.1
56.05033	4.5
57.03435	0.7
57.41377	0.6
59.05008	1.0
60.04522	100.0
67.05499	14.2
67.05859	0.6
68.05003	0.9
69.03444	0.6
69.07068	3.3
69.93165	2.5
70.06579	2.5
71.04985	0.7
72.04514	2.5
72.08158	2.9
74.06085	2.9
79.05486	9.5
80.05022	2.1
81.03414	1.9
81.07054	12.6
81.31991	0.7
82.06584	0.8
83.04974	1.2
83.08643	2.0
84.04477	0.9
84.08164	1.6
85.06532	1.1
86.06029	0.9
86.09692	1.8
90.05561	1.1
91.04956	0.9
91.05476	8.6
93.07039	8.4
95.04963	1.6
95.08595	12.9
95.54099	0.5
96.08121	1.2
97.06506	1.6
97.10173	1.0
98.06059	1.0
99.08102	0.7
100.07645	1.0
102.05549	1.8
105.07025	4.3
107.08607	5.0
109.06542	0.8
109.10136	4.9
110.09683	0.7
112.07607	0.7
113.09660	0.8
116.07088	1.8
117.06966	1.2
119.08581	4.1
120.08115	2.3
121.06467	1.0
121.10149	4.6
123.11730	1.8
129.06985	1.0
131.08566	2.2
133.10112	3.4
135.11707	3.5
136.07550	3.5
137.13219	0.6
145.10120	1.5
147.11670	2.7
149.13266	1.3
153.71437	0.7
157.10153	0.8
159.11693	1.4
161.13289	1.9
162.04054	0.8
171.11734	1.0
171.29047	0.7
173.12923	2.3
181.64174	0.6
185.18260	0.6
201.12445	0.9
203.17995	0.9
207.11288	1.4
217.19539	2.4
235.10599	0.6
241.19435	0.8
243.80313	0.6
253.21590	0.8
258.22162	0.7
259.20453	0.7
276.23154	3.1
294.24268	7.6
312.25287	13.4
330.26367	27.9
331.26544	1.1
348.27423	43.5
349.27817	1.1
366.28494	44.8
367.16733	0.7
367.29086	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	366.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01875	0.6
55.05505	3.2
56.05030	4.0
57.03439	1.5
57.07068	1.3
58.02957	0.5
58.06584	0.4
60.04522	100.0
61.02928	0.5
61.04878	0.7
67.05500	11.4
68.05034	1.3
69.03414	2.8
69.07065	3.9
70.06591	4.7
70.06979	0.8
70.07359	2.2
71.05003	1.5
72.04518	1.9
72.08155	1.6
74.06071	2.4
79.05489	8.7
80.05009	2.6
81.03423	1.4
81.06573	0.8
81.07055	15.0
82.06575	2.1
83.04993	0.5
83.08622	1.8
84.04506	1.7
84.08145	2.2
84.31178	0.4
85.02896	0.6
85.06551	2.0
86.06055	1.1
86.09703	3.3
86.92820	0.4
87.04445	0.5
90.05550	1.0
91.05467	7.3
93.07037	9.2
94.06564	1.4
95.04988	1.5
95.08601	9.8
96.08131	1.4
97.06550	1.0
97.10212	0.7
98.06068	1.6
98.21402	0.7
99.08092	1.1
102.05540	1.9
104.59336	0.4
105.07024	5.4
106.06567	1.2
107.04993	0.8
107.08583	5.4
108.08128	0.6
109.06507	1.1
109.10139	4.0
110.07127	1.0
112.07595	0.7
115.88549	0.4
116.07082	2.4
117.07012	1.2
119.04958	0.5
119.08581	3.2
120.06604	0.5
120.08097	3.5
120.45211	0.4
121.06499	0.8
121.10139	5.3
123.08055	0.7
123.11720	1.5
126.09156	0.6
128.07147	0.5
129.07091	0.6
129.10223	1.0
130.06578	0.6
130.08662	0.5
131.08586	2.1
133.07610	1.5
133.10147	2.9
135.11676	3.9
136.07610	0.5
137.09666	0.5
143.08533	0.6
145.07645	1.9
145.10132	2.0
147.04388	1.1
147.08102	0.6
147.09203	1.9
147.11659	3.2
149.13257	1.6
157.10159	0.6
159.11681	1.1
161.07124	0.9
161.13266	1.5
163.08688	2.7
163.10986	0.6
173.13263	0.7
175.08624	0.5
175.14790	0.9
176.07001	1.1
177.16362	0.8
185.13217	0.5
189.06573	0.9
203.17949	0.8
207.07614	12.7
207.09474	0.6
208.07938	0.6
214.52773	0.5
217.19556	1.0
229.19432	0.5
232.07243	2.0
233.16461	0.5
241.19336	0.9
258.22202	1.0
264.23257	0.7
276.23193	3.1
279.13272	1.1
281.15002	2.3
294.24216	4.8
305.11435	0.8
312.25290	10.1
323.12366	5.8
330.26355	24.1
331.26709	1.1
348.27417	39.4
349.27774	1.3
366.08609	1.2
366.12891	6.4
366.28485	56.1
367.13373	1.2
367.28912	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	366.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23835	0.5
53.03942	0.7
55.01860	0.7
55.05497	1.2
56.05028	0.9
56.96568	0.6
57.03424	1.1
60.04520	23.6
67.05489	1.3
69.03419	2.3
69.07070	1.0
70.02942	1.6
70.06571	2.6
70.18066	2.8
71.04992	1.0
72.04487	0.7
72.08159	0.8
74.28185	0.5
81.03403	1.6
81.07013	1.0
83.04958	0.8
84.04477	0.6
84.08134	1.0
86.09695	75.0
87.05586	14.4
87.10054	0.7
91.05511	1.3
93.07037	2.0
95.04964	0.6
95.08580	1.2
99.04454	0.8
103.05475	2.1
107.04934	0.8
112.11214	0.6
117.05505	0.9
118.06527	0.7
119.08582	0.6
120.08093	34.5
121.06462	0.8
121.10069	0.6
126.09115	0.7
128.10701	9.2
129.10268	0.8
131.04890	1.0
131.08527	0.6
132.10156	0.8
136.07536	0.7
137.06078	0.7
144.08067	1.5
145.07590	2.0
147.09169	1.7
159.09154	2.7
162.09152	2.2
166.08626	14.3
173.12842	100.0
174.13220	1.5
175.08691	0.8
185.10699	1.3
190.09718	7.8
191.08150	14.4
198.12827	0.6
201.12317	21.9
207.07718	1.0
207.11276	4.7
207.53760	0.5
213.10033	0.9
225.10315	0.9
230.15308	1.7
235.10822	1.3
263.13788	0.6
271.10571	0.8
279.16934	2.3
288.13394	0.8
289.11716	1.6
292.19144	2.7
306.14493	5.7
307.13248	0.6
324.15488	2.5
366.13742	0.9
366.18820	0.7
366.22784	6.4
367.15948	8.5
367.22952	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	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01863	5.3
55.05506	4.5
56.96553	1.8
57.02321	0.8
57.03431	6.2
59.33701	0.9
60.04518	2.4
61.02922	5.5
67.05489	2.5
68.99790	3.3
69.03426	37.5
69.03806	2.0
69.07063	1.2
70.03753	1.2
70.06577	2.7
71.01353	0.9
71.04984	5.3
71.59814	1.5
72.08152	1.6
73.02925	7.0
79.05512	2.0
81.03413	24.9
81.07053	2.7
83.01330	1.4
83.04987	1.0
83.08614	2.5
84.08148	2.4
85.02901	100.0
85.24223	0.8
86.03249	1.4
86.09728	2.1
87.00827	42.6
91.03970	1.4
91.05486	1.7
93.07066	2.2
95.05002	1.0
95.08597	2.1
97.02888	32.0
97.06540	1.0
99.04453	12.5
101.02385	1.4
103.05456	0.9
105.01862	63.5
105.07014	1.8
107.08595	1.8
108.04485	3.2
108.08116	0.9
109.02874	25.3
109.06568	1.0
109.10149	1.5
110.07161	0.9
111.04439	1.0
111.08070	1.8
115.03912	1.7
117.01858	2.4
119.08578	1.2
120.08103	5.0
121.06495	1.5
121.10150	1.8
123.02801	1.2
123.04407	1.2
123.08047	1.3
125.09705	1.0
126.05530	2.0
127.03913	66.5
129.01834	2.9
131.08562	0.9
133.10143	1.6
136.07510	1.2
137.06001	1.0
137.09615	1.1
139.07503	1.6
141.09116	2.2
145.04955	30.1
145.10144	0.9
147.02930	2.9
151.07500	1.9
159.02896	13.4
161.05864	0.9
163.06041	1.0
163.11185	0.9
168.06561	0.9
182.07991	0.8
189.03947	1.8
191.10718	1.5
209.11751	3.0
213.03810	1.9
231.04982	16.3
248.07605	0.9
249.06120	4.0
269.13733	1.2
295.11655	5.7
333.31940	0.9
361.02148	9.1
367.08160	1.0
367.17429	1.0
379.03375	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	366.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.1
55.01854	6.1
55.05505	23.6
56.05042	1.8
57.03434	8.9
60.04527	2.8
61.02908	6.4
67.05489	3.3
67.95727	1.5
68.99773	3.4
69.03080	3.0
69.03426	39.2
69.07053	2.8
70.06567	4.7
71.04975	6.9
71.59481	2.5
72.08155	2.9
73.02902	5.8
79.05477	4.3
81.03416	24.0
81.07040	5.8
83.04942	1.8
83.08611	13.4
84.08127	1.8
85.02898	100.0
86.09702	3.9
87.00280	3.2
87.00822	45.3
91.03961	1.6
91.05468	5.7
93.07036	4.1
95.04946	3.2
95.08611	3.1
97.02888	41.1
99.04440	17.3
99.67410	1.5
105.01860	69.8
105.07007	4.1
107.08596	1.6
108.04470	1.9
109.02869	26.9
109.10091	1.9
118.47379	1.5
119.51638	1.8
120.08077	2.4
121.10146	1.8
123.08023	1.7
127.03907	73.0
131.08549	2.0
131.99673	1.4
136.06149	5.6
136.07683	1.9
145.04958	38.3
145.06119	2.0
147.02870	3.1
159.02867	12.3
175.89677	1.6
189.03889	2.9
199.14693	1.7
213.03894	2.1
231.05058	17.6
237.02895	1.9
239.02167	1.7
249.06004	10.5
326.04099	1.8
331.60342	1.9
361.03906	5.4
366.22589	4.6
366.72037	2.3
367.08063	2.8
367.21445	2.4
379.04663	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	365.2684
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
52.12649	0.3
53.36032	0.3
55.01868	0.4
55.05512	1.6
57.02092	0.3
57.03432	0.6
57.07073	2.5
58.78360	0.3
67.05505	3.3
68.17388	0.3
68.32908	0.3
69.03419	0.4
69.07056	2.1
69.34768	3.0
74.12473	0.3
79.05497	2.6
81.07053	3.2
82.07381	0.4
83.04984	0.6
83.08613	0.9
85.06549	1.5
91.05470	2.3
93.07022	2.9
93.07433	0.3
95.04960	2.8
95.08611	2.8
97.06511	0.7
97.10138	0.5
105.07036	2.8
106.50811	0.3
107.08575	2.8
109.06519	2.0
109.10146	1.7
111.08093	0.4
113.05983	0.3
117.06994	1.0
119.08574	3.4
121.06476	0.4
121.10146	1.3
123.08062	4.2
123.11653	0.4
124.08887	1.7
128.06184	0.4
129.07021	0.7
131.08545	1.2
133.10130	1.9
133.65318	0.3
135.08073	1.2
135.11734	0.6
137.06017	0.7
137.09616	0.6
139.07582	0.4
142.07774	1.0
143.08569	1.8
144.09372	0.6
145.10071	1.8
146.07259	0.3
147.11674	0.9
149.09599	0.5
151.07536	3.7
152.08324	6.1
155.08585	0.8
156.09314	0.8
157.10117	2.6
159.11635	1.8
161.09622	1.0
161.13278	0.5
165.09097	9.1
166.09860	0.9
167.08563	0.4
169.10132	1.0
170.10847	0.5
171.11702	1.3
173.09583	0.7
173.13277	0.5
175.11188	0.5
177.12758	0.4
179.08551	0.5
179.10643	2.4
181.10194	0.8
181.12259	0.5
183.11729	1.6
185.13245	2.5
187.11214	0.8
187.14844	0.6
189.12608	0.4
192.01167	0.3
193.10211	0.5
193.12334	0.3
194.11205	0.6
194.12990	4.3
195.11749	1.5
195.13461	0.4
196.12456	0.4
197.13249	0.8
199.14832	0.4
203.05267	0.5
207.11707	0.9
207.13866	1.9
208.12433	0.6
209.13284	1.4
211.14728	0.4
213.12766	0.4
221.13303	1.3
221.15318	0.4
223.14905	0.8
225.16560	0.3
227.14525	0.5
233.13240	0.5
235.14880	0.5
235.17043	0.8
237.16293	0.7
247.14815	0.5
249.16409	0.5
249.18671	0.7
251.17892	0.5
262.13678	0.3
263.20117	2.2
265.16058	0.3
273.18692	0.7
277.21902	0.4
291.19727	1.6
301.52625	0.4
306.25137	1.1
319.26453	1.0
347.25879	17.4
348.26187	0.8
365.26910	100.0
366.27292	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	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.05517	20.1
57.03435	8.2
57.03704	3.0
57.07065	8.8
59.04992	2.5
67.05501	47.6
67.58363	2.6
69.03432	5.1
69.07059	24.4
69.52289	12.9
69.52704	8.8
71.04984	3.9
79.05489	28.4
81.07040	33.4
83.05000	8.8
83.08601	7.2
84.09586	2.7
85.06547	5.1
91.05473	32.3
93.07050	39.6
95.04964	57.3
95.05548	4.1
95.08595	35.4
95.98781	2.8
97.02900	4.1
97.06530	10.3
97.10178	8.0
98.21452	5.0
105.07020	49.7
107.08578	35.7
109.06515	11.7
109.10155	21.4
115.05447	4.5
116.06192	3.0
117.06991	15.7
119.08573	58.3
121.06538	6.8
121.10137	16.9
123.08078	9.9
123.11712	3.8
125.09692	3.0
128.06210	9.8
129.07031	13.0
130.07758	4.6
131.08553	29.4
133.10121	28.3
135.08076	16.4
135.11717	9.8
137.09624	4.2
141.07040	8.9
142.07755	13.8
143.08539	33.1
144.09366	10.0
145.10109	34.8
147.08037	7.0
147.11696	12.6
149.09671	5.3
149.13213	3.5
153.07022	4.8
154.07814	4.1
155.08571	16.6
156.09352	13.5
157.10139	44.1
158.10942	5.9
159.08096	7.1
159.11684	35.8
161.09631	11.9
161.13239	7.7
161.31923	2.6
165.07016	8.2
166.07808	5.7
167.08606	9.0
168.09375	9.4
169.10115	25.3
170.10927	10.8
171.11691	27.7
172.12433	7.0
173.09650	8.3
173.13309	11.5
175.11194	4.6
179.08589	11.3
180.09341	5.4
181.10146	23.3
182.10941	7.6
183.11685	31.7
185.04185	4.1
185.09644	3.6
185.13239	31.8
187.11201	12.5
187.14798	15.6
189.12775	6.3
192.09329	5.1
193.10098	15.0
194.10933	5.6
195.11708	34.3
196.12540	8.3
197.13246	25.9
199.11108	3.8
199.14796	7.0
201.12747	6.4
203.14392	5.2
205.10237	4.7
205.15918	9.3
206.10960	8.7
207.11661	22.4
208.12497	14.5
209.13245	27.6
211.11185	5.4
211.14711	13.9
213.12755	14.1
213.16347	4.6
215.14360	4.3
217.10016	3.2
217.16003	5.4
219.11751	9.3
220.12608	7.1
221.13243	24.6
222.14040	8.6
223.12918	4.2
223.14941	24.0
224.15613	4.0
225.12819	7.2
225.16496	5.7
231.11543	4.7
232.12636	4.0
233.13304	11.3
234.14091	6.5
235.14810	9.8
236.15686	6.4
237.16431	14.0
238.17247	5.8
239.14319	6.0
239.17992	5.6
243.11736	4.9
245.13252	3.6
247.14935	8.2
248.15607	4.4
249.16370	22.0
251.14380	3.6
251.17978	12.8
251.92033	2.9
253.15941	3.6
255.17412	7.0
261.16449	5.0
263.14459	5.7
263.18060	12.8
264.18604	4.3
265.15839	5.8
265.19507	6.4
267.17392	9.3
269.18991	7.4
273.16205	4.4
273.18765	5.7
277.15765	5.2
281.18939	6.3
282.19775	4.2
289.19669	8.0
291.16788	4.2
291.19818	21.1
306.19843	3.3
309.18564	4.1
317.19101	4.8
319.24219	3.5
321.22211	2.9
347.23608	36.3
365.24734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67543	3.6
52.84153	3.6
53.03939	6.4
55.05507	26.4
57.03421	4.4
57.07060	11.7
65.03942	4.5
67.05505	48.2
69.03423	9.7
69.07076	27.7
73.70181	3.8
79.05486	33.6
81.07047	44.6
83.04986	8.6
83.08617	6.5
85.06543	15.0
91.05483	49.1
93.07054	50.8
95.04368	4.3
95.04964	65.0
95.08604	58.6
97.06534	11.2
105.06374	6.2
105.07029	64.2
107.08603	41.6
109.06506	18.1
109.10136	23.0
111.08081	3.9
115.05453	6.0
117.07027	22.4
119.08570	71.3
120.08816	3.6
121.06474	11.0
121.10134	25.1
123.08047	16.4
123.11692	5.9
128.06216	16.8
129.07025	18.5
130.07816	8.2
131.08562	28.9
133.10135	25.9
135.08073	20.2
135.11679	13.3
137.09549	3.6
141.06932	11.9
142.07782	28.9
143.08556	51.3
144.09351	12.1
145.10123	45.7
147.08049	8.6
147.11642	11.4
149.09650	10.7
151.07552	6.3
154.07672	7.7
155.08585	19.1
156.09315	25.7
157.10124	69.3
159.08092	7.9
159.11694	38.1
161.09634	10.8
161.13231	9.1
165.07005	8.9
165.09119	15.8
167.08580	11.5
168.09294	10.6
169.10135	32.4
170.10916	16.6
171.11656	35.9
172.08731	6.3
173.09583	14.5
173.13272	10.7
175.11203	11.4
175.14813	4.9
179.08534	12.5
180.09280	10.2
181.10167	21.1
182.10870	10.3
183.11707	31.8
184.12291	5.0
185.13257	71.9
187.11209	16.9
187.14772	18.1
189.12791	5.9
191.21371	3.9
192.09253	5.2
193.10132	21.8
194.10886	11.5
195.11668	31.1
196.12485	12.1
197.13245	26.0
199.14751	8.8
201.12639	5.0
203.14401	8.2
205.10207	6.6
205.15887	10.4
206.10919	11.2
207.11670	25.3
207.13496	4.7
208.12459	16.2
209.13263	38.9
211.11215	6.2
211.14825	23.2
213.12776	17.9
217.15826	6.8
219.11781	7.6
220.12396	5.3
221.13341	25.1
222.13998	7.2
223.14926	20.7
224.15599	7.0
225.12828	8.7
225.16360	5.0
233.13229	11.0
234.13998	7.3
235.14833	10.4
236.15518	8.1
237.16324	20.1
238.17101	5.6
239.14249	4.5
239.17984	7.7
241.15846	4.9
245.13252	4.5
246.14005	4.3
247.14821	7.3
248.15503	6.2
249.16302	20.8
250.17076	4.2
251.17924	11.3
259.14798	6.4
261.16458	7.1
263.14325	5.4
263.17896	12.8
264.18661	6.6
265.15863	8.1
265.19711	7.5
267.17407	7.6
269.19055	7.2
273.16302	7.6
277.15759	6.1
277.19101	5.0
279.17285	5.8
279.82794	4.1
281.18912	7.9
289.19565	10.3
291.17395	12.0
306.25143	15.0
309.18549	6.9
317.18744	5.6
329.22333	4.7
332.21341	6.2
347.23749	34.3
365.10529	6.7
365.24875	100.0
365.32663	7.4
366.25061	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	365.2302
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03936	1.0
55.01861	1.9
55.05508	3.5
56.96561	1.5
57.03443	3.5
61.02920	1.7
67.05500	9.0
69.03418	1.3
69.07058	4.8
70.50431	1.7
70.50833	1.4
71.04995	0.8
71.75930	0.8
79.05485	8.1
81.03418	2.1
81.07054	11.4
83.04973	3.1
83.08624	1.8
85.02884	1.3
85.06544	2.4
91.05479	6.8
92.43349	0.8
93.07042	6.7
95.01968	0.9
95.04967	5.2
95.08572	4.1
97.02887	1.7
97.06532	1.1
97.10178	1.1
105.07006	4.4
107.04967	2.1
107.08598	4.9
109.06514	6.8
109.10173	3.4
111.04425	2.8
111.08064	1.0
113.05996	4.9
116.98602	0.9
117.06989	2.1
119.08563	4.3
121.06451	1.0
121.10156	2.3
123.08102	1.9
125.09674	1.2
129.06998	1.3
131.08563	2.9
133.06441	0.7
133.10130	4.2
135.08057	3.0
135.11691	1.4
137.09656	0.9
145.10124	1.9
147.08012	1.6
147.11757	0.9
149.01224	0.8
149.09628	1.4
149.13208	0.7
151.11156	1.4
153.12761	1.2
159.11688	1.2
161.09645	1.5
163.11215	1.8
173.09569	0.8
181.12344	0.7
185.13197	0.8
193.12297	0.8
195.05127	1.1
195.09825	0.7
217.07352	0.6
217.16052	0.7
220.78038	0.7
221.15356	0.8
231.10797	1.2
232.88809	0.7
252.12181	0.8
267.09018	0.8
267.14529	3.1
270.13132	1.4
273.18542	5.1
277.21616	1.0
284.12628	1.8
285.10046	1.8
285.15366	2.0
291.19589	7.4
321.17337	1.1
333.19156	3.1
347.22049	1.3
365.22974	100.0
366.23383	1.9
383.22977	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	365.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.3
55.05511	21.2
57.03425	6.5
57.07069	5.6
61.72863	4.6
67.05491	32.5
68.42136	4.2
69.03407	6.0
69.07063	14.9
71.04974	4.0
72.62126	4.6
75.19669	4.6
79.05480	30.4
81.03403	5.6
81.07047	31.9
83.04951	6.9
83.08615	8.0
85.06529	6.0
91.05454	35.4
93.07024	27.3
95.04965	34.8
95.08587	30.3
97.02860	5.5
97.06541	6.0
105.07015	62.7
107.08569	31.3
109.06527	12.7
109.10169	25.1
115.05402	6.8
117.07007	16.3
119.08557	52.8
121.06562	6.7
121.10107	26.1
123.08071	10.1
125.75294	5.7
128.06210	12.2
129.06976	13.3
131.08536	34.7
133.06416	5.6
133.10100	32.0
135.08032	12.2
135.11720	7.1
141.06976	5.4
142.07799	14.1
143.08524	28.9
145.06383	4.9
145.10117	34.6
147.11688	13.0
149.09576	4.5
151.11118	5.5
155.08588	15.5
156.09341	10.9
157.10123	35.9
158.10901	7.7
159.08029	5.8
159.11668	21.9
161.09576	9.7
161.13206	5.1
165.07037	5.8
167.08530	6.5
167.10706	4.8
169.10149	20.6
170.10867	6.9
171.11656	20.4
173.09613	13.3
173.13263	26.4
175.11212	8.7
176.03253	4.4
179.08559	8.5
180.09251	7.7
181.10120	17.2
182.10905	8.3
183.11694	24.3
185.04135	5.4
185.09570	5.1
185.13245	13.7
187.14719	6.4
191.14261	10.0
192.09286	6.0
193.10057	8.7
194.10907	6.2
195.11685	18.0
196.12398	7.3
197.13295	12.8
199.14810	8.8
201.12714	11.1
203.05244	9.6
203.14244	5.2
205.10011	7.4
207.11588	22.1
208.12375	7.6
209.13222	20.5
211.14821	12.8
219.11679	7.2
221.13220	15.1
223.15021	6.7
225.12732	9.2
227.14330	5.6
233.13264	5.9
234.13948	6.1
235.14980	7.2
237.16391	7.9
247.14827	8.9
249.16415	10.9
258.14182	5.3
259.14679	5.5
263.18018	15.0
267.17300	8.8
273.18622	8.3
281.18869	6.2
291.19800	8.8
347.23544	35.0
365.10580	16.1
365.24820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01870	5.8
55.05508	31.1
55.93515	2.2
57.03432	12.2
65.03925	1.5
67.05501	31.1
69.03426	13.5
69.07064	40.4
69.93799	5.6
70.95846	1.1
71.04978	1.9
72.93777	2.8
79.05486	27.9
81.03419	7.4
81.07052	21.0
83.04983	4.9
83.08615	10.0
85.06516	1.6
86.91035	1.0
90.94809	1.9
91.05475	18.1
93.07040	18.0
93.72009	0.9
94.04146	1.0
95.04962	9.5
95.08604	11.6
97.02884	18.0
97.06523	4.4
97.10168	15.6
103.05456	1.1
105.07024	13.1
107.04943	5.1
107.08585	15.9
108.95856	1.3
109.06499	3.7
109.10141	9.4
111.08050	2.2
115.05434	1.4
117.07004	6.7
119.08568	10.2
120.67992	0.9
121.06482	3.3
121.10136	5.0
123.08065	5.2
125.09627	13.1
129.06989	1.4
131.08572	5.9
133.06467	2.9
133.10149	5.2
135.08049	6.0
135.11681	3.6
137.05954	1.4
137.09608	2.8
143.08531	3.4
145.06471	1.2
145.10132	5.9
147.08087	5.3
147.11647	2.9
149.09572	1.5
149.13283	2.2
151.11142	1.1
155.08470	1.2
157.10114	2.6
159.11697	3.4
161.09642	1.5
161.13268	1.3
163.11206	2.6
165.09132	2.6
171.10092	1.2
171.11630	1.9
173.13249	1.1
175.11140	1.8
189.11220	6.8
189.12650	1.2
195.13844	1.3
199.11308	1.3
205.12244	3.4
220.06593	1.1
223.13281	33.5
224.13460	1.6
227.18033	1.3
245.18994	1.6
255.17496	1.1
263.20074	1.6
267.06686	2.4
271.06241	4.5
273.18457	12.2
285.07834	2.6
291.19525	100.0
292.19867	2.8
307.10190	1.8
335.12912	1.2
345.11108	1.2
347.12988	7.9
365.14148	2.1
365.23181	35.4
366.23514	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	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.9
53.03940	8.1
55.01866	18.8
55.05504	37.8
56.96555	8.6
57.03434	34.0
57.07060	4.7
59.04994	2.6
61.02912	2.6
62.05832	2.6
64.09031	2.7
65.03919	4.6
67.05502	89.1
69.03430	12.0
69.07067	35.6
69.34314	25.6
71.04996	6.6
73.02917	4.2
77.03902	2.6
79.05489	78.1
81.03397	18.1
81.07050	94.6
83.01320	3.9
83.04976	23.6
83.08605	17.1
85.02896	6.3
85.06544	7.5
88.07619	2.4
91.05476	100.0
93.07037	72.3
95.01292	2.5
95.04971	28.1
95.08604	39.1
95.12144	2.6
97.02868	6.8
97.06514	14.5
97.10127	3.4
98.20753	3.9
99.04442	3.2
99.08104	3.5
101.06054	2.5
105.07025	72.3
107.04955	22.0
107.08586	56.7
109.06530	18.1
109.10146	50.0
111.04440	7.6
111.08079	13.0
115.05432	3.0
117.06998	16.2
119.08578	21.8
121.06514	16.9
121.10126	20.6
123.04460	2.5
123.08052	10.8
123.11709	12.7
123.74907	2.5
125.05982	3.1
125.09682	2.7
128.06232	4.6
129.06964	11.9
131.04886	4.0
131.08562	30.3
133.06458	18.8
133.10126	94.0
134.10478	2.8
135.08052	27.0
135.11700	13.7
137.06042	2.2
137.09605	9.6
139.07538	6.6
141.07077	2.5
143.08530	11.9
145.10123	17.8
147.08041	9.8
147.11685	10.4
149.09610	18.9
151.11186	50.0
155.08539	3.6
157.10120	9.5
159.08078	9.3
159.11679	8.3
161.09621	14.5
161.13226	3.3
163.11203	8.6
165.09155	3.0
169.12260	6.7
171.11693	9.0
173.09593	5.7
175.11185	9.6
177.09108	11.2
177.12776	3.8
189.12807	5.1
207.13799	5.5
215.12790	3.1
217.12263	2.8
223.13203	3.0
227.18037	4.8
237.16522	3.4
245.19016	15.4
251.12906	5.4
253.14336	30.8
255.17535	4.9
263.19965	13.0
267.09195	3.8
269.10663	4.9
269.13632	4.4
273.18475	52.0
285.10117	4.7
289.78201	3.3
291.19519	40.5
303.29941	2.9
347.22162	6.9
357.33606	2.4
365.23227	59.0
365.33307	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.4
55.01864	20.6
55.05509	40.8
57.03433	27.7
57.07073	4.3
59.04992	14.6
59.69151	2.2
61.10451	2.1
65.03929	5.2
67.05498	96.0
69.03413	13.2
69.07059	37.8
69.62624	12.4
69.63049	5.2
71.04976	5.7
79.05486	77.5
81.03410	17.3
81.07050	100.0
83.01322	3.8
83.04980	27.4
83.08604	11.1
84.96049	3.0
85.02873	3.5
85.06525	4.6
91.05476	87.7
93.07037	79.3
95.04951	30.8
95.08599	41.5
97.02873	7.8
97.06532	12.3
97.10136	6.1
99.04479	2.3
103.05435	3.8
105.07019	80.9
106.63930	2.3
106.77209	2.3
107.04944	21.9
107.08587	65.5
108.29894	2.3
109.02856	2.8
109.06506	19.9
109.10148	47.8
111.04454	5.0
111.08102	12.7
113.05991	2.9
115.05441	4.7
117.07008	17.4
119.04945	3.7
119.08571	28.0
121.06500	16.6
121.10120	23.7
123.04438	3.8
123.08033	11.6
123.11697	10.4
125.09594	6.5
127.07504	3.9
128.06229	3.3
129.06999	11.5
131.08560	31.1
133.06497	21.1
133.10117	84.8
133.11076	5.3
135.08052	27.7
135.11662	14.0
137.09583	7.4
139.07520	4.5
139.11275	2.2
141.07007	3.1
142.07820	3.0
143.08516	11.4
145.06453	3.3
145.10100	13.8
147.08041	6.8
147.11667	10.1
149.09621	26.0
149.13210	4.0
151.11169	49.1
155.08571	3.4
157.10123	10.8
157.12120	2.8
158.10895	3.1
159.08006	8.3
159.11638	9.5
161.09586	12.3
163.11105	4.5
165.09103	3.8
165.12685	3.1
169.10089	3.2
169.12236	5.3
171.07994	2.9
171.11662	9.3
175.11174	6.5
177.09123	11.5
177.12703	3.9
179.10698	3.4
183.11655	4.0
185.13194	6.0
189.12691	6.0
193.12239	3.6
195.11679	3.1
199.11160	3.4
203.05305	3.3
209.13286	3.5
215.12692	4.3
217.12210	3.5
223.13222	7.9
227.17923	2.7
237.16228	3.8
245.19011	8.5
251.12695	3.7
253.14310	29.0
255.17419	7.1
263.20047	11.2
269.13785	7.2
273.18497	46.9
291.16483	3.9
291.19519	49.4
318.25531	2.6
328.95230	2.5
347.12973	5.0
347.22321	6.0
365.10400	8.2
365.23209	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01861	1.9
55.05508	3.5
56.96561	1.5
57.03443	3.5
61.02920	1.7
67.05500	9.0
69.03418	1.3
69.07058	4.8
70.50431	1.7
70.50833	1.4
71.04995	0.8
71.75930	0.8
79.05485	8.1
81.03418	2.1
81.07054	11.4
83.04973	3.1
83.08624	1.8
85.02884	1.3
85.06544	2.4
91.05479	6.8
92.43349	0.8
93.07042	6.7
95.01968	0.9
95.04967	5.2
95.08572	4.1
97.02887	1.7
97.06532	1.1
97.10178	1.1
105.07006	4.4
107.04967	2.1
107.08598	4.9
109.06514	6.8
109.10173	3.4
111.04425	2.8
111.08064	1.0
113.05996	4.9
116.98602	0.9
117.06989	2.1
119.08563	4.3
121.06451	1.0
121.10156	2.3
123.08102	1.9
125.09674	1.2
129.06998	1.3
131.08563	2.9
133.06441	0.7
133.10130	4.2
135.08057	3.0
135.11691	1.4
137.09656	0.9
145.10124	1.9
147.08012	1.6
147.11757	0.9
149.01224	0.8
149.09628	1.4
149.13208	0.7
151.11156	1.4
153.12761	1.2
159.11688	1.2
161.09645	1.5
163.11215	1.8
173.09569	0.8
181.12344	0.7
185.13197	0.8
193.12297	0.8
195.05127	1.1
195.09825	0.7
217.07352	0.6
217.16052	0.7
220.78038	0.7
221.15356	0.8
231.10797	1.2
232.88809	0.7
252.12181	0.8
267.09018	0.8
267.14529	3.1
270.13132	1.4
273.18542	5.1
277.21616	1.0
284.12628	1.8
285.10046	1.8
285.15366	2.0
291.19589	7.4
321.17337	1.1
333.19156	3.1
347.22049	1.3
365.22974	100.0
366.23383	1.9
383.22977	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01865	6.4
55.05509	30.3
56.96555	1.3
57.03433	11.6
59.04983	0.9
65.03938	1.3
67.05500	33.3
67.38084	0.8
69.03081	1.1
69.03423	14.3
69.07063	44.1
70.59671	3.2
71.04989	2.4
77.35158	1.0
79.05488	27.0
79.28479	0.9
81.03413	7.1
81.07053	20.3
83.04966	3.6
83.08607	10.3
91.05479	16.3
93.07035	17.9
95.04964	8.8
95.08611	11.2
97.02891	16.9
97.06511	3.8
97.10160	16.7
99.08110	1.1
105.07022	11.4
107.04941	8.4
107.08566	13.7
109.06510	3.1
109.10152	10.0
111.04399	1.8
111.08057	4.3
117.07004	7.7
119.08571	13.0
121.06485	2.7
121.10130	6.6
123.08070	4.7
123.11678	1.4
125.09627	14.2
128.06271	1.0
129.07005	3.2
131.08559	5.7
133.06462	2.8
133.10118	6.2
135.08022	5.0
135.11664	3.9
137.09618	3.2
143.08534	2.7
145.10138	5.7
147.08009	5.6
147.11681	2.4
149.09576	1.0
149.13251	2.6
153.09132	1.6
157.10123	2.9
159.08046	1.3
159.11687	3.3
161.09608	3.5
162.10396	1.0
163.11194	2.0
165.09135	2.0
171.10234	1.0
171.11676	2.0
173.11761	1.5
175.11205	2.5
177.12740	2.2
187.11227	1.4
189.11223	8.9
191.10632	0.9
195.13799	1.8
205.12141	2.1
223.13271	34.6
227.12636	1.2
227.18024	1.1
229.07375	0.9
245.19020	2.1
247.08397	1.0
249.14806	1.2
255.17400	0.9
263.19943	1.5
267.09006	1.5
273.18512	13.6
285.10074	2.1
291.19522	100.0
292.19861	3.0
347.22159	1.4
365.23181	47.2
366.23471	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	365.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.6
57.07069	0.8
67.05499	6.6
68.05836	0.9
69.03417	0.8
69.07064	3.8
69.61311	4.4
70.06561	0.5
73.02903	0.7
79.05501	4.4
80.05815	1.4
81.07053	5.6
82.07382	1.1
83.08602	1.1
91.05478	1.8
92.05833	0.7
93.07026	4.5
94.07371	1.2
95.04980	1.4
95.08598	3.9
96.08957	0.7
97.06538	0.7
99.49646	0.7
105.07018	1.8
107.08585	2.5
108.08936	0.9
109.10114	1.7
119.08571	1.7
121.10143	1.8
125.09615	0.7
131.00133	0.6
131.08540	1.1
133.10123	1.4
135.07982	0.9
135.11705	1.0
143.08612	0.7
145.10054	0.7
146.92705	0.6
163.11325	0.8
169.10106	0.9
170.43134	0.6
173.92065	0.6
185.13457	0.7
192.55470	0.6
196.98775	0.6
200.16920	0.6
205.10425	0.6
209.13202	0.6
273.18567	0.7
283.15112	1.5
291.19598	1.9
305.24771	1.8
306.25067	8.0
334.63458	0.7
365.22971	100.0
365.32336	11.0
366.23380	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
50.54313	1.3
51.02372	1.5
53.03932	4.1
55.01877	10.6
55.05507	36.4
55.05778	1.9
55.93523	1.8
56.94300	1.6
56.96540	2.3
57.03180	1.4
57.03430	17.9
57.07058	2.0
62.93950	1.0
65.03951	1.7
65.38652	1.0
67.05499	44.9
69.03423	17.4
69.07063	68.2
70.06550	1.2
70.95842	2.4
71.04966	3.7
71.18052	1.4
71.18382	2.0
72.93797	5.3
73.02882	1.7
79.05486	38.5
81.03419	10.0
81.07047	39.8
83.04971	7.5
83.08607	11.5
85.02881	3.2
85.06538	2.7
90.94802	2.8
91.05472	25.1
93.07036	28.2
95.04948	12.4
95.08604	16.1
97.02892	15.7
97.06536	8.8
97.10161	22.2
98.97594	1.4
105.07022	17.9
107.04942	11.8
107.08585	21.7
108.95837	1.3
109.02871	1.3
109.06510	8.8
109.10152	14.9
111.04437	1.8
111.08076	4.7
113.05971	1.2
115.05428	2.4
117.07008	9.7
119.04932	1.8
119.08566	18.3
121.06492	5.1
121.10123	9.3
121.15713	1.1
123.04423	1.2
123.08055	8.8
123.11671	1.6
125.09624	19.7
128.06265	1.6
129.06982	5.9
130.07776	1.1
131.08545	10.3
133.06470	4.7
133.10133	8.8
134.07202	1.2
135.08038	7.5
135.11673	4.6
137.09593	6.2
143.08554	6.9
145.10103	9.0
146.97462	1.1
147.08040	7.3
147.11717	6.1
149.09587	4.4
149.13252	5.1
153.09131	1.2
157.10106	4.3
159.08070	1.7
159.11737	3.5
161.09634	4.1
161.54642	1.2
163.11137	5.2
165.09100	3.8
166.97943	1.5
171.08098	1.3
171.10170	2.3
171.11627	2.7
172.98988	1.1
173.11823	1.8
173.13206	2.4
175.11165	4.1
177.12733	3.6
179.10635	1.3
181.09991	1.1
185.08099	1.2
185.13225	1.4
186.96664	1.4
189.11195	10.4
189.12691	1.6
191.14214	1.3
192.99416	1.4
193.12212	2.0
195.13785	2.2
201.03764	1.2
205.12140	2.7
213.14790	1.3
217.15771	1.5
219.13908	1.4
223.13261	26.3
227.12610	1.8
245.19043	3.4
247.08757	1.2
249.14818	2.5
255.17503	1.9
257.08331	1.1
259.06284	1.6
263.20059	1.7
267.08780	1.3
271.06293	3.1
273.18503	19.3
291.19525	100.0
292.19760	2.4
347.12930	18.9
347.22018	1.6
365.10379	1.3
365.14182	10.0
365.23203	37.4
365.33356	1.1
370.19745	1.3
388.15610	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	365.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.2
56.96561	3.7
57.03437	0.8
57.07066	0.6
57.74536	0.6
59.04993	1.7
61.02930	3.9
68.92886	0.7
69.99441	2.6
70.06589	24.4
71.04988	4.2
79.05484	1.9
81.04549	1.6
81.07059	8.8
82.05322	4.7
83.06101	3.0
84.08127	1.0
86.09700	1.5
87.08100	1.0
93.04517	1.9
95.06084	2.5
98.06043	0.8
98.97584	3.0
102.72092	0.5
107.06082	1.2
110.07162	54.7
110.97552	0.9
116.98626	1.8
119.06050	0.8
120.05592	1.2
120.08090	1.3
121.03963	0.8
121.07600	2.0
123.05550	1.2
125.07106	1.2
128.98628	1.2
131.06050	1.4
132.05605	1.2
133.03995	0.6
133.07574	0.7
134.99657	1.1
137.07091	1.6
138.06630	2.0
146.99678	0.9
147.05507	2.0
148.05028	2.9
149.07149	1.1
149.10748	0.6
151.12314	0.9
159.05515	1.3
161.10759	1.2
162.10260	9.8
162.11513	0.6
163.12329	8.7
165.00642	0.6
166.06105	4.5
172.06294	1.3
173.10791	1.0
175.12294	1.0
176.07037	1.1
177.00829	0.6
179.02362	0.7
189.11331	0.7
190.09760	1.2
190.13383	5.7
191.11754	0.9
192.14963	1.8
201.10223	23.8
202.10580	0.6
202.13412	1.8
203.11830	1.4
207.12468	3.8
208.14481	1.9
211.07538	0.6
213.04353	1.8
217.10864	3.0
218.12875	8.4
219.01877	0.9
235.11887	37.3
236.12059	0.7
237.02823	2.0
239.02209	1.8
242.16518	1.6
245.10323	1.3
246.12296	1.6
257.03296	1.9
259.19177	1.4
260.17487	0.8
264.13483	0.8
287.18655	7.3
315.18134	57.5
316.18365	1.4
333.19196	23.8
365.05417	6.1
365.21826	100.0
366.22137	3.1
383.06631	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	365.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
53.18892	2.6
55.05506	14.4
55.62042	2.2
55.93521	26.7
56.94300	6.8
56.96540	3.2
57.03409	5.1
64.29963	2.5
67.05501	23.2
69.03407	4.6
69.07062	15.3
70.06976	6.9
70.07395	7.8
70.95856	10.3
71.93007	2.8
72.93781	34.5
73.94518	2.7
79.05507	22.1
80.46418	2.5
81.03397	11.8
81.07050	21.0
83.04969	7.6
83.08604	3.4
88.96893	8.1
90.94807	23.0
91.05474	14.0
93.07023	15.0
95.04939	7.1
95.08582	6.5
97.02912	4.0
97.10165	3.6
104.76990	2.6
105.07008	13.5
107.04924	4.0
107.08589	11.9
108.95870	12.7
109.10146	7.4
116.96333	4.2
117.06990	3.6
119.08543	7.6
121.06492	2.6
121.10104	3.3
123.08089	2.7
123.11713	3.2
125.09634	2.9
125.96132	5.5
126.98444	3.7
128.96378	6.3
129.07002	4.5
131.08537	5.0
131.97456	3.1
133.10135	3.8
134.97368	8.1
135.08044	4.3
138.98404	7.4
140.98393	4.6
142.97922	3.9
143.08545	2.7
144.95769	6.0
144.99469	5.5
145.10091	6.5
146.97372	9.4
148.98947	7.1
150.96896	2.9
150.98372	3.2
151.02060	4.5
151.97684	5.8
154.97957	5.1
155.98662	4.8
157.10152	3.1
158.97438	3.7
159.11653	4.1
162.01178	3.5
162.96901	12.8
165.00015	7.5
165.97043	3.8
166.97823	4.5
167.98743	5.6
168.99406	3.6
171.11763	3.3
172.98953	6.4
174.98943	3.4
175.00456	3.2
176.98425	4.4
178.97891	3.3
180.99469	4.4
183.98195	4.4
184.98933	10.3
185.13235	3.0
187.00410	3.7
188.98457	2.6
189.00513	3.0
192.99455	5.7
193.12254	3.2
199.00513	9.2
200.98466	4.3
201.02087	5.8
223.13226	6.6
239.03627	5.0
245.04643	3.8
255.03099	10.7
257.04700	4.4
259.06152	3.7
273.04184	55.7
273.18542	3.8
274.04980	11.0
275.05725	44.5
288.02945	7.5
291.19498	21.7
296.05753	7.4
298.07272	9.1
306.03772	2.7
329.11926	7.8
345.11621	2.9
347.13043	91.5
348.13303	4.5
365.10425	4.3
365.14096	100.0
365.23062	24.4
388.15741	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	365.141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01865	3.7
55.05506	11.8
55.93520	11.6
56.94290	3.3
56.96556	4.7
57.03437	9.9
60.69882	1.9
61.02946	1.7
67.05501	19.6
69.03416	5.4
69.07060	11.4
70.54897	3.6
70.55251	5.1
70.95846	8.5
71.92991	2.3
72.93787	23.8
73.02914	1.9
78.88403	1.8
79.05482	13.6
80.79143	2.1
81.03433	4.2
81.07046	22.9
83.04981	3.8
83.08609	3.0
88.96880	5.7
90.94817	19.5
91.05471	20.1
93.07034	16.8
95.04962	9.3
95.08604	9.8
97.02887	4.0
97.06520	3.2
98.21417	2.1
105.07027	14.7
107.04943	5.4
107.08571	8.8
108.95849	9.4
109.06517	6.2
109.10155	3.7
111.32951	2.0
113.96395	2.1
115.05421	2.2
116.96357	2.5
117.06993	5.0
119.08586	9.3
121.10146	5.4
123.08013	2.1
125.09625	2.9
127.07511	4.5
128.96346	2.6
129.07014	3.7
131.08560	6.2
131.97411	2.4
133.06503	3.1
133.10112	4.7
134.97331	4.2
135.08054	5.9
135.11728	2.7
138.98418	3.6
142.97836	2.7
143.08553	4.4
144.95863	2.7
144.99471	4.3
145.10074	5.8
146.97379	5.0
147.08086	2.4
147.11638	4.6
148.98923	2.3
150.98337	2.2
151.01988	2.5
154.97821	2.8
156.99461	3.4
157.10081	2.6
158.97411	2.5
161.09631	2.4
164.98634	2.4
165.00018	5.0
166.97935	5.8
168.99481	3.8
169.10141	1.8
170.97305	2.6
172.98991	5.0
176.98419	2.9
178.97954	3.5
180.99452	4.6
181.90961	2.3
183.98152	3.8
184.98961	6.2
187.00545	3.5
189.03487	2.8
191.00153	2.6
191.08549	2.1
192.99464	4.4
196.99036	2.2
199.00436	4.0
211.00447	2.3
213.03671	3.4
215.03563	3.4
220.98955	2.3
223.13297	3.1
227.03522	3.9
235.04185	2.8
239.05421	2.1
253.05151	2.7
265.04916	2.4
267.06549	4.6
271.06097	10.4
273.18463	8.3
277.05151	2.8
279.08328	3.5
281.09784	2.8
283.06238	7.3
285.07806	3.8
291.19543	21.2
299.05597	2.8
307.10031	5.1
327.10376	2.7
329.11969	9.0
345.11523	5.1
347.13031	100.0
348.13370	3.5
363.12473	2.0
364.33484	2.9
365.10324	3.7
365.14185	26.5
365.23209	16.2
388.15823	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	365.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83704	4.1
53.50406	3.9
55.01865	7.2
55.05510	26.7
55.93524	10.1
56.94309	10.6
56.96561	7.3
57.03428	8.0
61.02908	7.2
65.03933	4.4
66.61115	4.1
67.05502	58.7
69.03412	8.4
69.07047	16.9
70.95870	32.6
71.04970	5.2
71.59904	4.1
71.60355	5.8
72.93396	5.2
72.93780	64.8
79.05483	57.8
81.03391	16.8
81.07059	29.7
83.04987	5.1
83.08607	9.0
85.38670	4.7
88.96895	14.6
90.94828	52.7
91.03953	6.0
91.05483	51.0
93.07025	27.9
95.04947	42.4
95.08626	23.3
97.02899	7.2
97.10117	5.0
105.07021	26.6
106.97948	5.7
107.04970	7.7
107.08614	24.4
108.95864	31.8
109.06509	9.2
109.10165	20.9
113.05952	5.7
113.96391	12.3
117.07005	9.3
119.08589	22.3
121.06489	5.6
121.10123	9.6
125.96052	5.1
126.98413	4.6
128.96338	15.5
129.06865	6.3
130.97893	5.2
131.08531	10.4
131.97412	10.4
132.95796	6.9
133.10132	6.8
134.97388	10.2
135.08090	8.8
135.11613	5.9
136.95296	9.4
137.09584	27.3
138.98421	12.9
142.97865	7.0
144.99464	18.2
145.10139	4.8
146.97375	16.0
147.08023	6.5
147.11661	7.0
148.98917	17.1
149.13187	5.3
150.96895	16.0
151.02025	12.6
156.99449	7.9
157.10168	5.9
159.01018	10.5
160.98926	5.7
162.96831	15.8
165.00006	15.3
165.97192	5.7
166.97920	8.9
169.98912	4.6
171.01039	5.7
172.98935	7.8
174.99033	5.4
175.00487	5.1
176.98491	7.8
178.97864	7.9
179.01462	9.5
180.99377	6.5
184.98940	7.9
187.00548	10.4
192.99445	8.6
195.01041	6.1
201.77176	5.3
209.02576	5.1
215.03694	6.1
227.03638	17.8
229.05173	45.5
241.05237	5.7
243.03246	9.3
245.04695	70.0
247.06328	6.3
249.07852	4.7
252.06731	5.7
259.06235	41.4
261.04294	13.3
263.05847	10.2
267.09155	6.3
268.06436	7.4
271.06293	13.9
273.18454	16.9
279.08182	6.0
281.09756	6.6
283.06424	5.7
285.10266	5.1
286.60608	4.5
291.19528	21.3
329.11850	13.1
347.12976	100.0
365.10376	7.5
365.14130	65.7
365.22745	28.6
388.15869	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	365.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54196	0.4
55.01862	0.9
55.05487	1.3
56.05044	0.5
56.96558	0.6
57.03428	0.7
58.44625	0.5
60.04516	3.0
67.05489	1.4
67.55412	0.5
69.03435	1.2
69.07067	5.1
70.06593	4.6
70.93368	1.0
71.04984	0.7
72.08144	2.2
75.04500	0.6
79.05488	1.8
79.66299	0.5
81.03416	0.7
81.07042	1.8
83.04958	0.8
84.04460	1.2
84.08143	3.3
85.02893	1.9
85.06493	0.6
86.09699	4.6
91.05506	1.1
93.07024	1.8
95.01334	0.9
95.04940	0.9
95.08606	1.5
97.02869	1.4
97.06510	3.3
98.06061	0.6
105.07016	1.6
107.04914	0.5
107.08572	1.2
109.06504	0.6
109.10194	0.5
110.07102	0.7
115.07559	8.6
118.98030	0.8
119.08607	0.8
120.08099	1.0
121.06520	0.5
121.10204	0.8
123.08004	0.8
127.03930	0.6
129.10229	1.5
131.08630	0.8
134.21576	0.4
135.08002	0.7
136.07622	0.6
141.01834	1.2
145.10118	0.6
156.99533	0.6
161.09618	0.5
168.99481	0.7
171.00568	2.0
176.98442	0.7
183.01140	0.9
185.04184	5.7
191.08205	0.7
201.02211	0.8
203.03134	100.0
204.03461	1.0
211.00563	0.9
215.05363	0.7
217.09776	0.7
221.04262	0.7
229.01680	0.7
245.09212	2.0
255.00133	0.7
263.10211	1.1
267.06781	2.4
267.34833	0.5
274.95953	0.5
285.07938	3.1
305.11337	3.4
323.12329	0.7
338.07251	0.5
347.06073	0.8
347.26001	1.2
364.26831	0.8
365.08368	27.9
365.13345	2.4
365.27228	1.3
367.20123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84549	0.3
67.47520	0.3
71.58727	0.5
71.59086	0.5
71.86994	0.3
76.30209	0.3
76.43771	0.3
91.12955	0.3
94.00283	0.3
119.01943	1.7
131.01898	1.7
137.01907	0.8
143.01910	1.1
145.03413	0.7
155.01909	0.6
161.02966	0.9
173.02927	1.6
185.04224	23.5
197.02940	0.6
203.05263	54.7
245.05086	2.3
263.05994	0.8
365.10522	100.0
366.10889	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	365.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.2
55.01849	1.2
55.05505	5.7
55.93518	7.8
56.94266	1.9
56.96553	1.3
57.03402	2.8
67.05500	8.4
69.03429	3.3
69.07064	8.3
70.95853	5.7
71.60419	0.8
71.92963	1.4
72.75637	0.6
72.93784	12.4
79.05483	8.8
81.03395	3.7
81.07053	7.3
83.04958	1.5
83.08578	2.0
85.02883	1.2
85.06523	1.1
88.96899	3.1
89.94005	0.8
90.94353	0.8
90.94821	9.0
91.03912	0.7
91.05476	7.3
93.07032	5.6
95.04956	3.6
95.08595	4.1
97.02847	2.3
97.06507	1.4
97.10129	2.5
100.30814	0.6
103.90163	0.7
105.07028	6.5
106.97868	1.0
107.04912	2.2
107.08592	4.7
108.95847	4.8
109.06450	1.7
109.10104	2.6
111.07957	0.8
113.05994	0.9
113.96340	1.2
115.05410	1.0
116.96377	0.9
117.06975	2.7
119.08585	4.9
121.06509	1.4
121.10101	2.1
123.08067	1.4
125.09580	2.1
125.96079	1.0
126.98424	1.0
128.96315	1.6
129.06976	1.4
130.97838	1.0
131.08549	3.1
133.06433	0.9
133.10092	2.2
134.97322	1.8
134.98853	1.0
135.08017	1.8
135.11649	0.7
137.09586	0.8
138.98387	2.3
142.97842	1.5
143.08517	2.7
144.95801	1.0
144.99419	2.1
145.10065	2.1
146.87978	0.6
146.97397	1.4
147.08014	0.9
147.11679	1.5
148.98947	2.2
149.13269	1.1
150.96866	1.2
150.98378	0.8
151.02008	1.8
151.11131	0.7
151.97705	0.8
152.99994	0.9
154.97885	1.2
155.08528	0.8
155.98648	0.8
156.99455	1.2
157.10095	1.7
158.97415	0.9
159.07957	0.7
159.11623	1.5
160.98927	1.7
161.09558	1.1
161.13242	0.6
162.96825	1.9
163.11089	1.2
164.99979	3.4
166.97870	2.1
168.99384	1.2
169.10068	0.7
170.97414	1.6
171.00969	0.8
171.11514	0.7
172.98929	2.8
175.00536	1.2
175.01961	1.0
175.11052	0.9
176.98459	1.1
177.12709	0.7
178.97881	1.8
179.01598	0.7
180.99440	1.6
183.98094	1.1
184.98906	2.9
187.00488	2.8
189.03650	1.3
189.11169	1.1
192.99460	2.2
193.12256	1.3
196.99034	1.5
197.02586	0.9
199.00427	1.5
199.02100	1.3
200.02856	1.4
201.03622	1.0
201.99144	1.0
207.01050	2.0
208.99010	1.2
211.00597	0.9
211.85023	0.6
213.03679	1.4
215.03532	1.0
215.05367	1.0
217.68340	0.8
220.98888	1.2
221.02750	0.7
223.13287	3.1
227.03603	1.8
229.05193	1.1
229.07343	0.7
232.05363	0.8
235.00513	1.2
239.03375	0.9
241.05028	0.8
245.04704	2.2
245.19112	0.8
247.04144	0.8
259.06342	1.6
267.08798	0.7
269.09982	2.0
271.06308	2.1
273.18417	4.4
278.06052	1.9
279.08630	1.4
283.06198	1.3
291.06796	1.0
291.19516	14.0
296.07178	3.3
297.07678	1.3
299.11154	0.8
309.07858	1.0
310.04807	2.1
327.10272	1.6
329.11942	2.5
345.11484	3.9
347.13016	100.0
348.13248	3.6
364.32870	0.8
365.14105	25.2
365.23123	8.6
386.14001	0.8
388.15598	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	364.2687
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
53.03924	0.9
55.01844	1.6
55.05491	3.6
56.05021	3.3
57.03432	1.1
60.04521	100.0
67.05498	9.5
68.05000	1.1
69.03407	1.0
69.07048	4.0
70.06587	7.1
71.29515	1.2
71.29845	1.4
72.04505	5.1
72.08147	1.0
74.06062	1.7
77.03902	0.8
79.05491	9.6
80.05004	2.6
81.03414	1.2
81.07047	18.5
82.06550	2.4
83.04971	1.6
83.08624	1.7
84.04479	2.8
84.08128	1.8
86.09701	2.5
91.05472	12.7
93.07040	7.7
94.06554	2.2
95.04951	2.8
95.08595	7.9
97.06511	1.0
98.06013	1.3
99.08070	7.0
100.07520	0.8
102.05538	1.5
103.05472	0.9
105.07036	5.4
107.08580	3.0
107.15604	0.8
109.10119	1.8
110.07143	1.3
114.21011	0.9
116.01720	1.1
116.07069	3.1
117.07001	4.1
119.04906	2.5
119.08584	5.0
120.08105	2.3
121.06532	0.8
121.10128	3.4
123.11705	0.8
125.09614	1.4
128.06197	0.8
129.06984	1.0
129.10191	1.2
131.08543	2.4
133.10124	2.0
135.11705	2.1
137.09523	0.8
141.07080	1.0
142.08621	1.2
143.08539	1.5
145.06435	2.2
145.10095	2.5
147.04414	5.4
147.11687	1.5
149.13199	1.7
155.08517	1.0
159.11627	1.3
162.02173	1.7
169.10114	0.9
173.13272	1.3
175.14784	1.2
177.03300	0.9
178.12201	1.0
187.14516	1.0
190.08653	7.7
191.07014	4.3
215.13850	1.0
220.84630	0.9
221.12791	1.1
230.17415	1.0
275.19952	1.1
292.22604	2.2
310.23727	6.3
318.13428	1.5
328.24783	16.9
332.70132	0.9
346.25851	70.2
347.12335	1.3
347.26215	3.5
364.13956	5.3
364.17767	0.9
364.26746	2.6
365.12485	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	364.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01867	1.1
55.05497	3.8
56.05025	4.2
60.04521	100.0
61.01153	0.9
62.06077	0.9
67.05500	10.0
68.05028	0.8
69.03399	0.9
69.07057	3.4
70.06584	8.8
71.04988	1.3
71.11278	1.9
71.88559	0.7
72.04507	4.7
72.08155	1.9
74.06082	2.8
79.05486	9.0
80.05004	1.3
81.03426	2.0
81.07050	14.2
82.06577	2.9
83.04970	1.9
83.08647	1.0
84.04498	2.1
84.08141	3.9
85.06535	3.0
86.09692	5.1
88.03991	1.2
90.05565	2.2
91.05468	11.9
93.07037	9.5
94.06609	1.6
95.04948	2.8
95.08598	7.2
97.06516	1.3
98.06051	0.8
99.08087	3.7
102.05502	1.3
105.07006	6.3
107.04939	1.4
107.08588	3.1
109.06511	0.7
109.10155	3.0
110.07141	1.5
111.08118	1.6
112.07607	1.9
115.05461	0.9
116.07068	1.8
117.07030	2.6
119.08562	5.3
120.08090	2.4
121.06490	1.3
121.10141	3.2
125.09575	1.1
129.07069	1.8
129.10240	2.7
131.08548	3.4
133.10117	3.6
135.11700	2.4
136.07518	1.5
137.09599	1.0
142.94077	0.9
143.08528	1.2
145.10101	2.8
147.04430	3.3
147.11650	2.0
155.08372	0.9
157.10083	1.1
159.11662	2.1
162.96938	0.8
171.11673	1.0
173.13243	1.2
180.06664	1.8
190.08569	1.1
197.57578	1.0
210.14937	0.9
215.17982	1.2
217.11884	0.8
227.99577	0.9
230.17535	0.9
239.18204	0.9
276.33020	0.8
292.22723	3.0
310.23709	5.5
328.24792	18.5
329.25253	0.8
346.25842	71.2
347.26157	3.5
364.26813	2.1
385.20135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1748
Annotation	CHEBI:70406
Peak:m/z	Relative Intensity
53.03908	0.6
55.01861	1.7
55.05512	3.2
56.05009	0.6
57.03423	1.4
65.03919	1.1
67.05500	24.2
67.05869	1.2
69.03406	1.5
69.07050	2.1
70.06584	1.4
70.95210	1.0
71.04992	1.0
79.05481	4.2
81.03397	1.5
81.07045	14.7
83.04966	1.0
83.08651	0.5
84.08137	0.6
85.02879	0.6
86.09695	2.6
89.52490	0.5
90.96146	0.5
91.05471	17.7
93.07037	4.4
95.04955	4.9
95.08598	7.7
97.02908	0.6
97.06491	2.5
99.04452	1.3
99.08069	1.1
103.05437	0.6
105.07049	0.8
107.04942	1.7
107.08595	2.9
109.06522	2.7
109.10145	53.0
110.10477	0.8
110.28722	0.5
111.04409	0.7
116.98622	0.5
118.06741	0.5
119.04924	14.8
119.08544	3.9
120.05331	0.5
120.08102	2.9
121.06515	1.1
121.10117	1.7
123.04418	4.9
125.05994	3.0
125.85656	0.5
130.57861	0.6
131.08533	0.7
134.05975	0.6
134.59698	0.5
136.07564	100.0
137.09601	90.1
138.09926	1.1
139.11186	0.6
146.06120	0.5
147.04410	2.5
147.06758	2.1
147.08022	1.4
148.68901	0.5
155.10661	9.1
157.13330	0.8
162.05565	1.1
165.05490	7.2
165.09094	52.4
166.05322	0.7
169.74348	0.5
176.07071	1.0
176.10699	1.6
177.07799	1.6
180.10199	1.7
182.08093	9.5
183.10117	3.1
201.11208	4.2
204.10205	0.9
258.14908	0.7
272.16550	0.8
273.13553	3.8
282.20502	0.8
300.15897	15.6
302.17477	29.0
318.16965	48.6
319.17407	1.1
320.18460	1.9
346.16260	2.0
346.20160	3.6
364.17352	3.5
364.21362	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	364.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
54.55083	0.7
55.01860	2.4
55.05514	4.8
56.96558	2.4
57.03436	1.8
60.04517	1.3
61.05931	0.7
63.21060	0.7
63.21835	0.8
65.03931	1.2
67.05498	29.3
69.03426	2.0
69.07049	2.7
69.93332	3.2
69.93745	1.4
70.06583	4.3
70.90898	0.7
71.04993	1.2
72.08147	3.9
79.05479	4.2
79.48990	0.9
81.03397	2.4
81.07049	15.3
83.04971	2.1
83.08618	0.8
84.08140	1.4
85.02897	3.1
85.06497	0.8
86.09710	3.4
91.05471	16.5
93.07039	5.9
95.04966	7.6
95.08599	10.5
97.02921	1.6
97.06528	3.7
98.35307	0.8
99.04437	1.4
99.08083	2.1
105.07044	1.5
107.04945	2.1
107.08574	3.9
109.06528	2.8
109.10146	58.8
118.06646	1.0
119.04922	13.9
119.08578	4.3
120.08098	3.1
120.08968	0.9
121.06493	1.6
121.10117	2.2
123.04411	4.8
123.11669	1.1
125.05982	3.8
127.20455	0.7
133.06491	1.0
136.07567	100.0
137.06013	3.1
137.09605	86.8
138.09959	1.2
141.35785	0.9
145.10083	1.0
147.04424	3.1
147.06773	3.4
147.07912	1.3
152.05655	6.3
153.04187	1.1
155.10666	11.6
162.05452	1.0
163.03900	1.1
164.29749	1.1
165.05450	7.8
165.09103	54.4
177.07823	2.5
180.10194	1.8
182.08130	12.5
183.10130	3.8
187.11168	0.9
201.11244	3.8
202.12306	2.1
204.10129	1.2
258.14935	2.0
260.12881	1.3
272.16595	1.3
273.13565	5.8
300.15906	16.5
302.17493	42.9
318.16962	55.9
320.18622	5.1
346.16434	2.2
346.20236	4.7
364.16974	4.2
364.21436	11.0
365.10574	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	363.2139
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
55.05499	1.8
56.96551	2.1
57.03408	1.1
57.07056	0.8
60.12321	0.8
61.02911	1.2
67.05487	2.2
69.03401	1.3
69.07047	1.9
69.63197	6.3
70.06590	2.0
71.04998	1.0
71.06944	0.8
79.05481	2.5
81.03416	2.7
81.07041	3.2
83.05006	1.6
83.08617	1.4
84.08148	1.0
85.02916	0.9
88.07605	1.0
91.05465	2.6
93.07049	1.3
95.04970	1.9
95.08565	2.1
97.02877	1.3
103.57708	0.8
105.07037	2.3
107.05019	0.9
107.08600	1.1
109.10152	1.7
111.04207	1.7
119.08566	2.2
121.10120	1.3
123.08028	0.9
123.82709	0.8
129.06927	0.9
131.08537	0.9
135.08009	1.0
137.14397	0.8
145.01166	0.8
150.12782	1.0
169.10092	0.9
171.50673	0.9
193.12173	0.9
257.26929	1.1
267.09021	2.9
269.06741	1.7
270.06677	0.9
275.13342	1.7
275.16150	18.4
283.22125	1.0
285.10123	2.3
301.29233	2.8
317.26837	1.9
363.21390	100.0
363.32910	8.0
364.21561	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	363.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
56.96551	2.1
57.03408	1.1
57.07056	0.8
60.12321	0.8
61.02911	1.2
67.05487	2.2
69.03401	1.3
69.07047	1.9
69.63197	6.3
70.06590	2.0
71.04998	1.0
71.06944	0.8
79.05481	2.5
81.03416	2.7
81.07041	3.2
83.05006	1.6
83.08617	1.4
84.08148	1.0
85.02916	0.9
88.07605	1.0
91.05465	2.6
93.07049	1.3
95.04970	1.9
95.08565	2.1
97.02877	1.3
103.57708	0.8
105.07037	2.3
107.05019	0.9
107.08600	1.1
109.10152	1.7
111.04207	1.7
119.08566	2.2
121.10120	1.3
123.08028	0.9
123.82709	0.8
129.06927	0.9
131.08537	0.9
135.08009	1.0
137.14397	0.8
145.01166	0.8
150.12782	1.0
169.10092	0.9
171.50673	0.9
193.12173	0.9
257.26929	1.1
267.09021	2.9
269.06741	1.7
270.06677	0.9
275.13342	1.7
275.16150	18.4
283.22125	1.0
285.10123	2.3
301.29233	2.8
317.26837	1.9
363.21390	100.0
363.32910	8.0
364.21561	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	363.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64241	0.3
53.03939	0.5
55.01868	0.6
55.05492	1.0
56.96553	0.3
57.03423	0.8
59.04993	0.4
61.02905	1.3
65.23131	0.3
67.05495	1.9
69.03413	0.8
69.07061	0.8
70.06558	0.3
70.95856	0.4
71.04987	0.4
71.57314	0.5
72.93768	0.7
73.02886	0.4
79.05472	1.5
81.03404	2.6
81.07040	1.3
83.04987	0.5
83.08607	0.4
85.02898	1.2
85.87103	0.3
91.03937	1.0
91.05475	3.0
93.07029	0.8
95.04967	0.8
95.08566	0.7
97.02866	1.0
97.06532	0.5
97.10131	0.4
99.04478	0.3
105.07040	1.6
107.04992	0.4
107.08557	0.9
109.06536	0.5
109.10118	0.4
111.08033	0.3
112.99992	0.8
115.05412	1.7
116.98493	0.3
117.05738	0.5
117.07021	2.0
118.06531	30.4
118.69759	0.3
119.06863	0.7
119.08581	1.4
121.06512	0.4
121.10131	0.5
123.08012	0.4
124.07476	0.3
125.09612	0.3
127.03896	0.4
128.04968	0.3
128.19930	0.3
129.06996	0.3
130.06522	0.4
131.08551	0.9
132.08073	2.3
133.08888	1.3
133.10066	0.7
134.09605	0.6
135.08078	0.3
135.11728	0.4
137.05939	0.3
138.98256	0.4
142.06519	2.2
143.07317	2.3
144.08073	11.5
145.04871	0.3
145.06499	0.6
145.10078	0.6
146.05997	48.1
146.09622	2.2
147.06332	1.0
147.10489	0.5
147.11656	0.6
149.09618	0.5
153.09137	0.3
157.10114	0.4
159.08034	0.6
159.11655	0.5
160.07600	0.9
169.02588	0.6
170.06029	4.0
175.11264	0.5
176.14331	100.0
177.14680	3.2
185.04832	0.3
188.07050	32.4
189.07387	1.1
193.12300	1.0
211.13298	0.5
216.13890	0.9
234.14792	2.0
266.10614	0.3
267.09061	1.1
267.15933	0.6
283.06284	1.3
285.10095	2.4
289.18039	0.4
363.20691	19.9
364.21024	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	363.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.0
57.03442	20.4
67.05506	51.5
69.07043	25.6
69.27050	100.0
69.27486	98.9
70.38029	16.3
79.05477	29.5
81.07034	37.4
83.08570	22.1
89.33656	16.2
91.05496	24.5
93.07043	26.0
95.08605	25.1
107.08563	29.2
109.10154	24.2
118.98206	19.5
119.08578	28.1
149.02309	34.1
150.02425	25.3
164.02139	40.8
169.01373	21.6
175.03957	34.4
177.16147	18.9
191.02638	18.9
203.62520	21.4
204.35350	16.5
300.05597	29.3
363.12253	25.2
363.19431	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1799
Annotation	Gelomulide W
Peak:m/z	Relative Intensity
51.02394	0.6
53.00255	0.5
53.03943	3.7
55.01867	4.0
55.05507	3.1
57.03440	3.0
59.06119	5.4
60.04510	1.1
67.05506	4.2
69.03428	2.0
69.07062	3.1
70.06589	1.6
71.04980	1.1
71.60013	0.8
72.08145	1.8
78.04705	1.1
79.05484	7.0
81.03410	100.0
81.07030	4.5
82.03686	0.5
82.47868	0.6
83.04972	1.3
83.08615	1.4
84.04499	0.8
84.08132	1.3
85.02895	1.4
85.06534	0.8
86.09708	1.9
91.05467	10.4
93.07040	2.6
94.06580	0.7
95.01311	3.1
95.04956	6.8
95.08588	4.6
96.08141	0.5
97.02876	1.0
97.06519	1.5
103.05470	3.0
104.06255	2.7
105.06366	1.1
105.07027	12.7
107.04937	6.8
107.08572	1.6
108.08124	0.6
109.02862	2.4
109.06525	0.8
109.10172	1.7
111.08096	1.4
115.05446	10.6
116.06243	0.6
117.07008	5.1
118.06516	0.6
119.04939	1.9
119.08569	3.1
120.08122	2.0
121.02875	0.7
121.06480	3.8
121.10145	0.7
122.06023	1.4
123.04443	0.6
123.08067	1.8
124.07597	1.1
127.03870	0.6
128.06236	1.9
129.07004	2.8
131.04910	9.3
131.08543	2.7
132.68428	0.5
133.06493	9.0
133.10114	2.2
135.08057	1.0
136.07559	2.7
137.05988	3.0
137.09639	2.3
143.04964	0.9
143.08524	3.1
145.06458	2.7
145.10133	1.7
147.04375	6.6
147.08000	2.9
148.07610	0.9
149.09642	0.7
150.05455	0.6
152.07082	0.6
156.34944	0.7
157.06540	1.4
157.10136	1.5
159.04408	4.2
159.08052	1.5
160.05180	30.4
161.05968	30.2
161.09584	6.8
162.04181	1.1
163.11169	0.9
164.07111	1.7
165.07208	0.8
165.09126	2.1
167.08495	0.6
169.06514	0.8
171.04359	0.8
171.08090	1.8
171.11577	0.7
173.05975	10.4
173.09717	0.6
174.06691	0.8
175.11221	2.4
177.05518	0.7
178.03241	3.7
181.10062	0.7
182.12743	0.7
185.09592	1.7
186.06726	0.7
187.07507	5.2
189.09053	3.6
194.10004	0.6
203.10617	9.0
207.10205	0.9
219.10185	0.5
221.11728	2.7
225.12856	1.1
229.97849	0.6
231.15021	2.6
238.05180	0.7
243.13759	5.0
253.12361	1.2
257.12836	1.6
262.40884	0.6
271.13226	12.4
273.14807	0.7
277.14432	0.8
283.14496	0.6
285.12433	0.8
289.14301	15.6
289.17575	1.1
295.15347	4.2
319.07504	1.2
331.12918	0.9
345.16888	2.7
363.18015	51.9
364.18369	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	361.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01858	1.9
55.05507	33.1
55.10021	0.8
55.93515	1.5
56.05024	2.2
56.96552	2.3
57.03418	2.6
60.04518	2.5
61.02910	1.7
67.05481	1.5
69.03425	29.5
69.07047	1.5
69.54944	1.9
69.55357	5.1
70.06239	1.6
70.06586	19.0
71.04969	3.8
72.08153	7.3
72.62641	0.8
72.93764	1.4
73.06551	85.2
74.06075	1.2
78.73816	0.8
81.03414	37.4
83.04958	1.2
84.04504	5.6
84.08134	8.5
85.02900	26.5
86.09204	1.5
86.09698	20.4
87.05603	1.3
87.10020	3.8
89.03931	0.9
90.94830	1.2
91.05465	3.0
93.07016	1.3
95.04955	1.6
95.08607	1.3
96.08170	1.0
97.02892	11.5
97.06525	1.6
98.21490	1.3
98.97557	1.7
99.04446	16.4
101.06010	100.0
102.05552	1.3
102.06263	1.0
103.03944	15.0
107.04962	2.0
107.08596	2.1
109.02885	12.6
110.07150	2.5
111.04403	1.4
112.08718	1.6
115.03912	1.5
115.07588	1.6
116.07134	2.4
119.04910	3.4
119.08575	1.8
120.08078	2.9
121.06463	1.1
122.35699	1.1
123.04427	8.2
124.07430	1.3
125.02290	1.4
127.02952	1.8
127.03905	31.8
129.05460	1.0
129.10272	4.7
130.06546	1.5
131.07042	5.0
134.99626	0.9
135.08099	1.0
136.03894	1.6
136.07570	1.5
137.05968	3.3
138.09073	1.0
139.08623	0.9
141.09119	1.0
144.95886	1.2
145.02821	1.8
145.04938	4.5
147.03365	0.9
147.04349	5.6
147.11626	1.1
148.04721	3.6
150.96886	1.3
153.09158	1.5
157.08592	2.0
159.09108	1.2
161.01118	1.3
162.96968	1.1
163.03908	4.0
164.04214	5.6
165.05437	6.5
165.96936	1.0
166.05878	1.3
169.08624	1.5
175.11942	1.2
177.00664	1.0
177.05464	2.0
181.05008	2.5
181.08531	9.1
181.12038	1.0
182.05235	2.5
187.06027	4.1
199.09645	5.7
201.34871	0.9
202.69347	0.9
207.15442	0.9
219.01776	1.4
220.85324	0.9
224.98404	1.0
225.25896	0.9
234.98854	1.8
236.98192	1.1
237.02841	2.1
252.97943	1.2
259.08963	1.6
259.11743	33.5
260.11826	1.0
271.08029	1.0
271.89078	1.0
319.10690	1.8
338.03174	2.5
343.13617	1.9
361.08832	3.6
361.14090	2.3
361.18219	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	361.198
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06037	1.2
60.62012	1.1
67.05483	3.0
69.03408	1.4
71.60455	1.9
72.15096	1.1
76.54253	1.2
79.05482	1.9
81.07038	2.4
81.49974	1.2
83.08603	1.4
91.05461	1.8
92.52381	1.2
93.07032	2.9
95.04974	1.3
95.08594	1.6
99.19704	1.1
105.06992	2.5
109.10135	1.5
118.79251	1.1
119.08556	2.8
135.11690	1.2
147.11635	1.2
275.16113	37.5
339.72321	1.2
361.19809	100.0
362.20068	3.3
380.32153	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	363.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
56.96562	31.7
58.85025	1.0
66.19398	0.9
67.05475	1.6
70.06557	2.3
71.04975	2.1
71.59411	1.5
74.97621	1.2
79.05473	2.5
81.03393	1.7
81.07038	2.2
84.04482	1.9
84.08103	1.5
85.02885	2.1
85.06522	1.3
86.09708	1.4
91.05487	5.3
92.16191	0.9
93.07010	2.2
95.04950	1.5
95.08586	2.0
97.02872	1.2
105.07021	13.1
107.08604	5.2
109.02882	1.7
109.06491	1.8
112.99107	2.2
115.00622	1.9
115.03935	2.5
117.07006	1.1
119.01889	1.2
119.04847	1.4
119.08556	7.4
120.08043	1.1
121.10135	18.6
123.07993	2.8
127.03915	1.8
127.78069	0.9
131.00142	5.2
131.08556	5.3
133.01688	3.9
133.10100	4.6
135.11668	4.2
141.02206	1.7
145.10063	3.2
147.04367	2.7
147.11678	12.0
148.00319	1.2
149.01230	6.0
150.96898	1.4
154.93214	2.5
158.10826	1.4
159.03267	6.6
161.01140	1.3
172.94292	12.7
173.13219	6.8
174.93857	1.0
177.04335	2.7
183.03239	1.4
190.95325	33.7
191.14273	1.1
195.06862	2.5
199.06392	1.9
201.04231	1.1
202.05063	3.0
203.05864	1.2
205.05289	5.4
208.96381	5.1
213.07947	2.0
216.96970	2.8
219.03435	1.7
221.08502	2.1
223.06348	3.4
226.95308	3.9
227.05794	1.3
234.98950	1.2
237.04341	4.3
237.07874	1.3
239.09561	11.5
240.63168	1.2
240.96840	1.1
241.07422	1.7
244.96355	3.8
247.10036	8.2
249.07968	1.6
255.05362	1.5
257.10608	6.3
265.11108	31.4
283.12119	15.8
287.02496	1.2
288.12723	1.3
301.04034	1.3
301.13232	1.9
303.12805	1.5
305.03647	2.5
319.05219	6.5
319.76370	1.1
327.05609	5.0
337.06110	4.0
345.06714	25.3
345.10907	1.3
363.07730	41.2
364.07877	2.0
381.08875	100.0
382.09079	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	361.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.1
55.05499	3.0
59.05004	1.9
65.03933	7.0
67.05505	3.1
69.07063	2.0
69.60283	12.5
70.06582	6.6
72.08155	4.2
79.05494	4.6
80.81974	1.6
81.03362	1.9
81.07062	4.8
82.06585	1.7
83.04968	2.2
84.08133	2.7
85.02895	3.2
86.09698	5.7
91.05478	12.1
92.05013	2.9
93.03396	2.7
93.07025	12.9
94.06573	10.7
94.07090	1.8
95.04946	3.6
95.07346	9.6
95.08556	2.0
96.08117	18.4
97.06542	3.0
105.07017	4.1
107.08590	6.6
108.04449	2.4
108.08126	12.6
108.08727	1.9
109.10124	2.5
110.09676	33.1
116.04951	4.7
118.06522	2.1
120.04464	7.4
120.08091	22.6
122.06020	2.5
123.11696	1.7
124.07600	5.6
131.08519	2.4
133.10068	1.8
136.07576	18.0
137.06009	1.9
138.09123	33.9
144.04428	7.8
146.05997	46.9
146.07077	3.6
148.03922	87.3
148.07608	4.6
151.03951	2.1
154.08609	4.2
162.04224	2.1
162.05475	6.9
164.07076	15.8
166.04984	38.1
166.08626	100.0
172.03908	19.6
174.96936	2.0
178.08534	2.0
190.04974	76.7
199.12325	5.8
200.09451	1.8
213.10216	2.5
225.45558	1.9
227.11821	3.6
235.95175	1.9
253.13422	2.7
255.11287	17.0
257.12845	3.7
271.11694	2.3
271.14240	8.4
273.12350	14.9
281.12897	3.2
283.10742	17.0
299.13834	28.7
301.11829	59.1
317.14966	2.3
319.12952	6.0
325.11829	4.8
333.14438	1.9
343.12686	10.6
344.62646	1.8
345.80600	1.8
361.13416	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	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.9
55.05501	34.8
56.96553	6.8
57.03428	8.4
58.32902	6.2
67.05509	61.3
69.03432	6.8
69.07065	38.3
69.74264	6.9
70.06557	6.6
71.04989	58.2
79.05485	53.7
81.07041	40.0
83.08606	26.2
85.06554	11.8
91.05475	28.2
93.07044	82.7
95.04952	12.1
95.08583	25.4
96.83601	6.6
97.06523	23.5
97.10152	22.3
105.07022	25.6
107.08590	44.9
109.10181	48.8
115.21992	6.0
119.08559	19.2
121.10162	66.9
125.09618	23.8
131.08496	7.5
133.10126	7.6
146.04927	7.5
149.09608	10.6
153.12738	27.7
155.10689	7.4
159.11774	7.8
173.11752	100.0
173.13158	14.0
189.11217	27.7
240.91077	8.8
275.20090	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	360.2381
Annotation	Broussonetine H
Peak:m/z	Relative Intensity
53.03942	1.4
55.01871	1.5
55.05505	21.3
55.93500	2.4
56.05034	2.3
56.94290	1.1
57.03425	1.4
59.05005	3.2
60.04521	2.9
62.06070	2.3
63.79316	0.9
67.05505	8.5
69.03421	4.0
69.07063	12.9
70.06585	15.6
70.46884	1.0
70.47213	3.4
70.95862	6.5
71.04989	1.8
71.07352	1.3
72.08149	13.2
72.93796	6.1
74.06100	2.5
79.05484	6.2
81.03415	1.5
81.07050	25.7
82.06561	1.8
82.07353	1.5
83.04977	19.6
83.08571	1.5
84.04501	3.3
84.08142	10.9
85.02903	3.9
85.06540	4.9
86.06062	11.0
86.09698	44.3
87.10044	4.2
88.03988	1.9
88.96904	4.5
90.94812	2.7
91.05484	5.3
93.07040	7.9
94.06586	2.3
94.07342	1.4
95.04961	3.2
95.08600	10.4
96.08124	13.8
97.06528	3.4
98.06023	1.6
98.09686	15.9
99.08080	6.4
100.07652	1.9
100.32696	1.1
101.06009	13.2
105.06989	5.3
107.08588	6.7
108.08109	4.9
109.06527	2.1
109.10141	4.1
110.09679	6.7
111.04433	15.2
111.08122	1.2
113.06010	1.1
116.09888	2.4
116.10721	47.2
116.96338	1.6
119.08586	3.7
120.08101	2.4
121.02845	1.9
121.08884	1.1
121.10143	3.1
122.09670	4.9
122.10455	1.2
123.08057	1.5
123.10491	1.5
126.09139	1.5
127.03886	2.0
127.07545	1.5
128.10680	2.0
129.05458	9.1
129.06970	1.2
129.10263	2.2
132.10165	5.1
133.02795	1.3
133.10139	1.9
135.08092	1.1
135.11681	2.7
136.07561	2.7
136.11166	3.0
137.05925	1.8
138.09042	2.3
140.10713	2.6
141.10211	2.4
141.11501	2.9
142.08604	5.5
142.97903	4.4
144.10144	1.3
145.10124	1.9
146.06029	1.4
146.97380	2.2
147.11748	1.5
149.02328	48.7
149.09581	1.4
150.02715	3.0
150.96913	1.4
151.01996	1.3
153.12779	1.4
154.08614	2.7
154.12213	2.5
155.07034	12.4
155.11812	2.3
156.10234	1.4
156.12138	1.6
156.99471	2.3
158.97441	1.8
160.98933	2.1
163.03893	29.4
164.04297	1.5
164.10747	1.8
172.09688	2.5
173.08090	17.0
173.09518	1.9
174.08736	1.5
175.00533	2.4
178.15953	1.2
181.04929	12.6
182.15471	3.0
183.11317	4.5
188.06981	2.2
190.12218	1.7
191.14334	1.2
196.16953	14.2
197.02582	1.8
198.14906	2.7
199.00488	1.6
200.13918	7.0
201.12334	6.5
201.14304	8.9
208.13354	2.2
212.16473	2.8
214.17999	100.0
215.18326	3.1
226.14369	36.5
227.14644	1.4
228.13861	1.9
228.15959	10.4
229.11868	5.7
232.19080	7.8
244.15427	24.8
245.15712	1.3
246.16940	1.3
247.12820	2.8
255.11259	1.8
261.08032	1.2
263.07196	10.2
277.05249	3.9
280.08624	1.3
281.08340	22.9
283.10870	1.3
291.54553	1.3
295.06317	3.0
299.09293	1.3
301.11969	1.4
324.21695	15.2
342.22745	51.2
342.26987	2.7
343.07175	1.3
343.23132	1.8
358.49258	1.2
360.16623	1.5
360.20007	1.5
360.23865	18.0
361.04333	1.4
361.14078	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	360.2127
Annotation	Leu-Leu-Asp
Peak:m/z	Relative Intensity
55.05499	3.0
56.05025	1.3
56.96558	1.6
57.03418	0.6
60.04518	1.4
60.69088	0.4
64.50411	0.4
67.05478	0.7
69.03423	1.5
69.07060	6.0
70.01037	0.7
70.01451	1.8
70.06585	12.5
71.04988	0.7
71.06911	0.9
72.08149	24.7
73.06551	0.7
74.06071	1.3
79.05480	1.1
81.03404	1.0
81.07034	1.0
83.04977	0.6
84.04491	4.4
84.08135	9.0
85.02898	4.0
85.08469	0.5
86.09696	100.0
87.10040	1.3
88.03977	0.7
89.03909	0.5
91.05458	2.1
95.04979	0.5
95.08600	0.7
96.04492	0.5
97.02889	1.4
97.06557	0.6
98.97581	0.9
101.06010	0.7
102.05521	1.3
103.05431	0.5
105.07040	0.6
109.02857	0.8
109.06503	0.7
110.07143	1.5
111.04425	0.7
116.07098	1.0
116.98607	0.9
119.04919	2.8
120.08099	1.7
121.64389	0.5
126.05500	0.5
127.03923	1.2
129.10240	6.9
130.06502	0.4
131.04927	0.7
134.04570	0.5
134.99643	0.6
135.04401	1.9
136.07574	1.2
139.03902	0.6
144.06532	4.8
145.04955	1.0
147.04395	6.4
157.13422	0.7
158.99658	0.5
159.01027	0.7
161.09325	0.6
162.05554	0.8
162.07611	6.9
163.03918	4.6
163.07584	0.5
165.05463	1.1
171.14934	5.6
180.10335	1.1
181.04913	2.4
198.11203	0.5
199.14360	2.5
199.18033	22.7
215.05406	0.5
219.01779	0.7
227.17500	8.7
237.02869	1.3
245.11409	1.6
247.12872	6.1
261.14456	1.4
293.08389	0.8
342.22867	0.9
360.10983	0.9
360.16309	1.3
361.08850	4.7
361.18323	2.2
362.40591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2127
Annotation	Leu-Leu-Asp
Peak:m/z	Relative Intensity
52.14177	0.3
53.03955	0.3
55.05497	1.8
56.05027	0.9
56.96551	0.6
57.03436	0.4
60.04516	1.0
61.02924	0.3
67.05480	0.6
69.03416	1.7
69.07068	2.3
70.06586	5.5
70.83533	0.3
71.04996	0.5
71.06916	0.4
71.59621	0.4
72.08149	9.1
73.06555	2.0
73.08488	0.6
74.06081	0.5
79.05502	0.8
81.03405	1.3
81.07035	0.3
82.06538	0.3
83.04987	0.4
83.06099	1.1
84.04491	6.1
84.08142	3.3
85.02901	3.6
86.06055	0.4
86.09699	100.0
87.04477	0.5
87.10033	1.2
88.03975	0.7
91.05459	1.6
92.74237	0.3
93.07041	0.5
95.04968	0.5
97.02898	1.6
97.06542	0.3
98.97569	0.3
99.04477	0.6
101.06000	2.2
102.05549	2.7
103.03945	0.4
105.07037	0.7
107.04945	0.4
107.08620	0.4
109.02864	0.6
109.06496	0.4
110.07159	0.5
112.40131	0.3
116.07076	0.7
117.58955	0.3
118.08649	5.1
119.04939	2.7
120.08097	1.0
123.04407	0.4
126.09155	0.4
127.03917	1.2
129.06570	1.9
129.10226	2.0
131.04929	0.6
132.10223	0.7
134.99734	0.3
135.04442	0.7
136.07547	0.6
137.05986	1.6
138.09167	0.8
139.09503	0.4
143.11766	0.5
145.02844	0.5
145.04962	0.6
147.04401	13.8
147.11655	0.5
148.04774	0.6
148.06044	0.3
152.10617	0.4
163.03900	3.4
163.07567	0.4
165.05461	5.2
165.06834	0.3
167.86339	0.3
169.13374	0.4
170.11731	0.8
181.04956	1.3
182.12952	0.5
183.11418	0.5
183.13177	0.7
184.11601	0.5
185.16440	2.4
188.14403	0.5
197.12825	3.1
197.14272	0.3
198.11227	0.4
199.18045	27.6
201.14189	0.4
206.15422	1.5
213.16002	0.7
215.13905	5.4
219.01846	0.4
225.12424	1.0
227.17532	10.9
227.19763	0.6
228.17770	0.5
236.98958	0.3
237.02982	0.5
243.13458	1.0
247.12889	5.9
259.11807	0.9
342.22333	0.4
343.13159	0.4
360.17041	2.0
360.23691	0.3
361.08899	0.4
361.18488	0.3
384.97464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2125
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
55.05499	1.6
56.05032	1.2
57.03428	0.7
58.08715	0.6
58.53897	0.7
60.04522	1.8
61.11397	0.6
67.05499	1.7
69.03416	0.8
69.07061	13.5
69.53281	1.8
69.53703	2.6
69.74487	0.6
70.02921	0.8
70.06583	8.9
71.06905	1.0
72.08141	4.8
73.02922	1.0
73.04031	0.8
74.06086	1.2
77.34379	0.6
79.05486	1.6
81.07042	2.3
82.07379	0.7
83.04977	1.2
84.04508	2.7
84.08167	3.3
85.02905	1.3
85.04019	0.8
85.06544	1.3
86.00639	1.6
86.09702	92.1
87.10029	2.7
88.03985	16.3
89.86828	0.6
90.83822	0.6
91.05491	2.0
93.07042	2.0
95.08592	1.6
96.08126	6.0
97.06535	1.2
98.02419	4.5
98.20749	1.3
99.05579	0.6
99.19914	0.6
105.07062	1.5
107.08595	2.1
109.10169	1.1
110.07157	2.3
110.09685	3.0
113.10758	1.0
115.05034	1.2
116.10744	1.9
119.04963	1.1
119.08560	1.7
120.08114	2.6
121.06503	0.7
121.10081	0.8
124.07601	0.8
129.10234	1.9
130.08626	1.1
132.01143	2.7
132.10214	5.3
133.06107	2.1
133.10138	1.2
135.08051	0.8
136.07587	5.1
137.02350	1.4
138.09146	1.9
141.10219	12.5
142.08626	2.2
143.11800	1.4
145.10085	0.9
155.08163	0.8
155.11890	1.5
156.07668	1.3
156.10197	20.6
161.09755	0.7
162.05553	0.7
166.08620	0.9
183.11281	4.3
184.09724	3.4
184.11111	0.7
185.16406	1.1
185.67557	0.6
189.12434	0.7
198.12015	1.5
199.08585	0.9
200.13918	1.3
201.12331	100.0
202.12657	0.9
208.13269	0.7
212.08966	0.7
213.10240	0.9
214.17975	1.0
228.13762	0.7
228.15982	1.9
229.11812	14.6
255.11163	1.1
273.12149	1.9
301.11621	1.8
318.05969	1.3
342.05728	1.5
342.22977	1.2
360.07285	1.3
360.16486	0.7
360.23709	1.1
361.13779	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	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
60.04525	2.3
61.02925	0.8
64.37659	0.5
65.03925	0.9
67.05499	1.0
69.03426	1.5
69.07082	0.9
69.83466	1.7
69.83878	1.0
70.06588	7.8
70.95857	2.4
71.04996	1.2
72.08152	5.7
72.93780	2.5
77.03238	0.5
77.11652	0.5
79.05496	1.5
81.03420	0.7
81.07064	1.6
83.04981	0.7
84.04518	2.5
84.08155	1.6
85.02892	3.9
86.09696	7.1
87.10032	0.8
88.96909	2.1
90.94826	1.8
91.05475	1.8
93.07048	1.7
95.04951	1.2
95.08599	1.0
95.55517	0.5
97.02889	1.2
105.07021	1.5
106.97952	0.7
107.04962	0.5
107.08573	1.2
109.06535	0.5
109.10185	0.8
111.08102	0.6
112.40142	0.5
116.10741	0.7
116.96340	0.5
118.12338	0.5
119.04962	0.9
119.08605	1.0
120.08116	1.8
121.02857	1.9
121.10100	0.6
123.08008	0.8
127.03899	0.6
128.96381	0.9
129.10257	0.8
130.06445	0.6
131.08543	0.5
132.10185	2.4
133.02859	2.5
133.10162	0.7
135.04410	1.8
136.07547	0.9
142.97882	1.2
145.04900	0.6
146.97412	1.3
147.04382	3.1
149.02330	100.0
150.02763	0.6
150.96892	0.7
151.01958	0.5
156.99533	1.1
158.97423	0.8
160.98984	0.7
163.03893	68.4
167.03386	2.0
168.13806	0.6
175.00558	0.8
176.98486	0.7
180.99518	0.7
181.04942	26.5
183.11310	1.2
197.02637	0.9
201.12375	1.5
214.18045	1.1
215.03603	0.8
225.02058	0.6
229.11726	1.1
247.12781	0.6
263.07339	5.2
277.05157	1.7
280.08600	2.1
281.08328	11.4
295.06213	1.8
324.21979	0.6
342.22623	1.6
360.16431	2.0
360.23752	0.6
361.08878	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	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36531	0.6
53.03961	1.1
55.01870	1.2
55.05497	2.3
56.05017	1.6
56.96552	1.4
57.03416	2.2
60.04516	1.9
61.02924	1.7
67.05474	1.1
69.03425	5.8
69.07046	1.8
70.02925	0.9
70.06590	11.0
70.97712	1.5
71.04979	0.9
72.08151	15.3
73.06548	3.3
73.08496	1.3
74.06075	1.3
79.05482	1.9
81.03413	3.1
81.07033	0.9
83.04955	0.9
83.06088	2.1
84.04492	5.7
84.08134	6.6
85.02899	15.3
86.09699	28.3
87.10038	2.6
89.03891	4.2
90.94829	0.9
91.03943	1.0
91.05464	3.6
93.07017	0.8
95.04963	1.3
95.08595	1.2
97.02869	5.1
99.04455	2.0
101.06004	4.4
102.05518	3.1
105.06988	0.9
107.04947	2.9
107.08591	0.9
109.02851	1.8
110.07152	2.4
111.04440	1.0
116.07084	0.9
116.98647	1.0
117.03377	5.5
118.08639	2.2
119.04939	4.4
120.08086	1.3
121.06515	0.8
125.05921	0.6
127.03886	4.0
127.08661	0.8
129.06586	1.2
129.10239	2.9
131.60918	0.7
132.10208	2.3
133.10341	0.7
135.04407	14.9
136.07579	1.0
137.05945	3.3
139.03885	1.3
141.04762	1.1
143.00151	0.6
145.02843	11.8
145.04933	4.6
147.04404	14.9
148.05989	1.0
163.03896	100.0
165.05440	5.4
172.11603	0.9
177.00674	0.6
180.08701	1.0
180.10153	1.0
181.04950	41.3
183.11337	1.5
183.13197	0.8
184.11562	1.0
185.16501	4.3
188.14063	0.7
190.12637	0.9
197.12910	2.8
198.07668	0.8
199.18115	1.3
201.14320	0.7
206.15526	0.9
213.15971	1.8
215.13934	2.6
221.11647	0.7
247.12971	0.7
249.20177	0.7
256.15942	0.7
259.11731	1.4
338.02954	1.2
342.22476	1.7
360.16998	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	359.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.2
57.03428	5.1
57.07072	100.0
63.77008	3.0
67.05506	27.5
69.07056	17.8
69.91438	14.1
71.08223	4.1
71.08625	74.9
77.41285	2.6
79.05477	4.5
81.07056	39.7
83.08616	22.8
85.10182	34.2
89.06013	3.1
93.07024	7.4
95.08601	48.1
97.10175	23.6
98.20786	5.0
99.11778	4.0
105.03728	10.3
105.07048	3.6
107.08650	3.0
109.10155	27.4
111.11713	8.8
119.08564	3.7
119.38252	2.7
120.87125	3.3
121.10146	14.2
123.11749	14.7
123.12545	3.6
135.11717	4.2
137.13248	5.8
149.13268	3.5
223.53105	3.0
242.19414	3.0
249.25674	4.4
267.26871	9.8
285.27698	4.8
296.29489	19.7
341.30542	63.2
359.37061	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	359.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.3
55.01852	7.2
55.05507	32.9
56.05018	3.0
56.96547	8.8
57.03427	3.5
57.07063	7.3
59.89097	2.4
65.03927	3.1
67.05501	33.1
69.03413	8.2
69.07063	41.7
70.01138	10.8
70.01559	4.9
70.06569	8.8
71.04974	9.3
72.08146	14.5
73.08431	3.4
79.05479	22.3
81.03398	8.3
81.06571	5.4
81.07048	100.0
83.04967	5.6
83.08589	12.5
84.04506	6.9
84.08121	8.1
85.02890	4.6
85.06547	16.5
86.06081	3.1
86.09695	16.5
89.33534	2.7
91.05469	23.7
93.07037	46.6
95.04955	10.5
95.08601	64.8
97.02868	7.7
97.06515	17.7
97.10159	18.2
99.04449	4.1
99.08067	5.3
103.05453	5.3
105.06998	19.7
107.08573	41.2
108.08085	3.2
109.02869	7.9
109.06490	17.9
109.10141	32.0
111.08085	22.6
111.11714	10.6
115.05513	2.9
116.98576	4.6
117.06984	4.2
118.06487	7.1
119.04906	6.7
119.08568	20.3
121.06489	5.2
121.10133	27.2
123.11701	47.1
125.09621	6.3
127.03872	3.5
129.06972	3.5
130.04994	3.3
130.06514	9.9
131.08585	7.6
132.08099	19.1
133.10106	12.1
135.08012	3.5
135.11659	17.3
137.05956	30.1
137.13235	15.9
139.11151	14.2
144.08029	6.2
145.10086	6.4
146.05992	25.5
147.04366	4.9
147.11653	8.6
149.09566	4.9
149.13258	32.7
151.03758	2.9
151.11176	3.8
153.01823	4.9
153.12733	6.7
155.08530	3.7
155.14279	3.9
157.10124	3.6
157.12251	12.4
159.07979	6.6
159.09166	52.4
159.11699	4.6
161.13228	8.3
163.11177	4.2
163.14789	3.8
165.09091	4.2
167.07005	3.6
170.05994	4.9
171.13855	3.3
173.13261	3.7
175.07539	4.8
175.14774	5.3
179.14217	2.9
185.13239	2.7
187.08775	4.4
187.13281	10.2
188.07057	40.2
189.07539	3.9
197.11842	3.7
198.18675	3.6
205.09740	14.8
213.16188	4.3
219.08025	2.9
249.18640	3.4
249.22287	2.9
277.25198	3.9
293.24646	5.5
295.14258	6.8
305.24634	31.0
311.12650	3.4
313.15475	26.3
323.13705	3.3
323.25778	11.7
341.06393	9.1
341.13449	2.9
359.07611	3.7
359.22638	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	359.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01869	1.8
55.05501	2.6
56.05024	1.6
56.96554	1.6
57.03425	1.5
57.07065	1.0
60.04514	1.1
65.03932	0.6
67.05499	5.4
69.03422	3.9
69.07059	9.6
70.02942	3.5
70.06583	7.6
70.84582	0.9
70.84917	1.2
71.04977	1.8
72.04494	1.4
72.08134	3.3
75.05579	0.6
79.05481	4.5
81.03413	1.8
81.07052	14.0
82.48627	0.6
83.04971	2.5
83.08617	1.0
84.04500	2.5
84.08138	3.6
85.02914	2.8
85.04033	2.8
85.06526	6.3
86.06089	0.9
86.09699	100.0
87.04463	0.7
87.05582	8.9
87.10059	1.4
88.03983	4.2
90.94835	0.9
91.05476	5.0
93.07037	8.6
94.06577	0.8
95.04977	3.2
95.08590	8.6
96.04505	1.0
96.08134	4.2
96.08657	0.5
96.08943	0.5
97.02870	1.1
97.06525	3.1
98.02412	8.1
98.09682	0.8
99.04455	0.7
99.05572	1.8
99.08073	2.7
101.06007	1.9
103.05497	1.0
105.07033	5.3
107.04945	1.5
107.08588	7.5
109.02869	1.7
109.06487	1.3
109.10151	5.7
110.02406	4.9
110.07168	0.7
110.09677	1.4
111.08089	3.9
112.11230	1.0
113.10741	5.1
115.05015	1.2
117.07013	0.8
119.04931	0.8
119.08562	3.4
120.08083	3.4
121.06532	0.8
121.10130	5.2
122.06007	0.8
123.08081	1.9
123.11704	4.9
124.03979	1.5
124.07616	0.9
125.06097	0.8
125.09614	5.3
127.03900	1.3
127.05016	0.6
127.11198	0.6
129.09149	0.5
129.10258	1.8
130.06558	0.6
130.08632	2.3
131.04921	1.1
131.08588	1.9
132.10190	6.7
133.10115	3.9
135.08011	0.9
135.11696	2.3
136.07535	3.4
137.05949	5.2
137.09633	0.8
137.13268	0.7
138.06354	1.0
138.09131	8.6
139.07623	0.7
139.11189	1.4
141.09128	2.4
141.10199	14.4
141.12773	0.6
142.08659	0.7
143.10876	0.6
143.11772	3.7
145.10133	2.0
147.04391	1.3
147.11716	2.0
148.84198	0.6
149.09627	1.4
149.13222	1.0
151.03928	1.1
151.11192	2.1
153.05481	1.6
155.10519	1.1
155.11783	19.2
157.10081	0.7
159.11574	0.8
161.06017	0.9
161.13185	0.8
162.05554	0.7
163.11150	1.0
164.07072	1.2
165.12785	1.7
166.08640	4.5
167.10669	1.6
169.08557	0.7
169.12180	1.7
171.11295	3.1
171.13704	0.8
173.13229	0.7
175.07564	0.7
175.14838	1.0
177.12920	0.6
177.16495	0.6
179.10594	1.1
182.12939	1.0
183.11282	17.0
187.13283	1.1
189.12379	1.9
197.11688	5.9
200.13925	76.5
201.12343	1.4
201.14334	1.7
201.16451	0.7
211.10814	1.1
213.05368	0.7
223.17003	1.1
228.11128	1.1
228.13405	19.4
229.11595	0.9
234.03909	1.2
237.18517	1.2
245.15973	0.8
245.18655	3.4
249.18590	1.2
255.17082	1.9
269.04507	1.0
271.06073	2.0
279.17032	1.3
279.71597	0.6
283.16580	2.2
295.10760	0.7
297.12329	1.4
300.19318	0.7
313.07010	1.2
313.12704	0.7
315.13437	2.1
323.25888	1.3
325.17654	5.1
341.10864	0.7
341.21814	1.9
359.12292	1.5
359.16681	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78905	0.4
53.03931	0.5
55.01868	1.6
55.05504	4.1
56.05029	1.4
56.96550	0.6
57.03424	1.3
57.07064	0.8
59.05021	0.4
60.04515	0.9
65.03921	0.7
65.64195	0.4
66.71541	0.4
67.05496	5.1
68.05019	0.4
69.03418	3.5
69.07063	10.0
70.00294	1.1
70.00716	1.0
70.02943	2.8
70.06584	7.8
71.04990	2.4
71.87943	0.4
72.04504	1.4
72.08147	4.1
73.04019	0.4
74.06061	0.4
75.05589	1.6
79.05482	4.5
81.03414	1.9
81.07049	12.7
83.04977	5.1
83.08617	1.2
84.04507	1.5
84.08138	5.1
85.02899	2.5
85.04023	1.7
85.06535	3.9
86.06061	0.6
86.09698	100.0
87.00812	0.5
87.04422	0.5
87.05585	9.0
87.10033	1.6
88.03994	3.7
91.05461	4.6
93.07032	9.2
94.06534	0.5
95.04406	0.4
95.04948	2.4
95.08598	7.5
96.04510	1.0
96.08105	4.0
97.02875	1.0
97.06520	2.2
97.10149	0.6
98.02407	5.7
98.06046	0.4
98.09686	1.1
99.05562	1.5
99.08081	1.3
101.06001	4.0
105.07019	4.8
107.04964	1.0
107.08578	8.6
108.08147	0.5
108.08907	0.4
109.02876	0.8
109.06499	2.1
109.10146	4.6
110.02397	3.7
110.07198	0.4
110.09668	0.8
111.04475	0.5
111.08067	2.7
112.11243	1.2
113.06004	0.7
113.10743	5.4
115.05035	1.2
115.07623	0.6
116.10760	0.9
116.98619	0.7
117.05516	0.6
117.07011	0.7
119.04955	0.5
119.08559	3.5
120.08092	1.7
121.06478	1.1
121.10135	5.0
123.08033	2.0
123.11695	4.9
124.03938	0.7
124.07561	0.6
125.05976	0.6
125.09640	3.9
126.09129	0.5
127.03879	1.1
127.04925	0.4
127.07550	1.2
127.11143	0.5
129.09225	0.6
129.10228	2.6
130.04961	0.4
130.06540	0.4
130.08658	1.6
131.08566	0.9
132.10188	6.2
133.10135	5.1
134.10443	0.8
135.04373	0.5
135.08047	0.7
135.11673	2.4
136.07539	1.5
137.05978	2.1
137.09610	0.8
137.13242	0.9
138.09125	8.5
139.07561	0.5
139.11168	1.2
141.09091	3.5
141.10214	11.2
142.08580	0.7
143.07106	0.4
143.08466	0.5
143.10686	0.5
143.11758	5.5
145.10114	1.8
146.05878	0.7
147.11676	1.7
149.09579	1.8
149.13284	1.2
151.07629	0.5
151.11148	1.6
153.12775	0.7
155.10693	0.7
155.11777	16.6
156.12048	0.4
157.10008	0.4
159.11606	1.4
161.09644	1.1
161.13257	1.2
163.03902	0.4
163.07448	0.6
163.11258	0.8
163.14760	0.5
165.12743	0.9
166.08621	3.4
167.10728	2.4
169.12238	2.3
171.11261	3.2
173.13243	0.6
175.07484	0.7
175.11098	0.5
175.14731	0.4
177.00792	0.5
177.16266	0.5
179.10689	2.4
181.12096	0.5
182.12906	1.0
182.15442	0.6
183.11273	15.0
187.10799	0.6
187.13266	2.5
189.12338	2.9
189.16354	0.7
197.11710	10.3
197.13431	0.7
200.13921	65.6
201.12317	2.6
201.14259	2.0
201.16203	0.6
211.10698	0.7
213.16454	0.8
223.16962	0.5
225.18478	0.5
226.14445	0.5
228.13423	16.9
228.15521	0.6
229.11783	1.4
229.13777	0.6
234.03850	0.5
239.54257	0.4
244.15443	0.7
245.15680	1.1
245.18553	2.8
249.18454	0.6
255.17030	1.5
267.19431	0.5
279.17032	1.3
281.77298	0.4
282.18085	0.5
283.16583	1.9
293.24744	0.4
296.19745	0.6
297.12521	0.5
300.19016	0.7
305.24640	1.0
315.13364	1.0
323.25784	1.3
325.17575	3.2
341.11224	0.6
341.15750	0.7
341.21768	1.8
342.19690	0.7
359.16803	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	359.1699
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01862	1.4
55.05499	2.6
56.05037	0.9
56.96548	0.8
57.03417	1.7
57.07074	0.9
57.90136	0.6
61.02916	1.4
65.03913	1.1
67.05499	3.4
68.56682	0.7
69.03433	5.0
69.07066	4.5
70.06598	4.9
71.04972	1.5
72.08133	2.8
73.02917	1.5
79.05486	4.1
81.03401	1.4
81.07047	10.3
83.04968	1.6
84.04478	1.3
84.08121	3.1
85.02894	9.8
85.06528	3.5
86.09700	32.4
87.04444	1.0
87.05597	1.8
88.03965	1.1
91.05472	6.2
93.07042	11.2
95.04973	1.5
95.08604	7.2
96.08108	1.1
97.02870	2.1
97.06509	1.6
98.02393	1.6
99.04437	1.3
99.08098	2.2
99.70863	0.7
105.07025	10.4
107.08588	41.9
108.08908	1.3
109.02840	1.3
109.06503	2.5
109.10126	3.7
110.02391	1.2
110.07143	0.9
110.09673	1.0
111.08061	3.4
113.10742	0.8
116.07099	0.9
119.04897	0.9
119.08578	5.9
120.08099	1.7
121.06503	1.7
121.10134	7.0
123.08100	1.3
123.11711	2.5
125.09593	1.3
127.03860	2.2
129.09198	1.1
129.10181	1.2
132.10220	1.4
132.37578	0.7
133.06429	0.9
133.10124	21.6
134.10448	0.8
135.08096	0.9
135.11644	1.0
136.07562	2.7
137.05962	1.5
137.09602	1.7
138.09120	2.6
139.07576	1.6
139.11191	1.4
141.09175	1.0
141.10208	2.8
143.08568	1.0
143.11746	1.3
145.04843	0.7
145.10152	0.9
147.11665	1.0
149.09613	3.2
151.07529	1.4
151.11165	7.9
155.11737	3.6
161.09653	5.5
163.11160	0.8
164.07048	1.1
165.12807	1.4
166.08623	1.4
167.10664	17.0
171.11415	1.1
179.10672	17.0
183.11255	3.5
197.11720	100.0
198.12051	2.8
200.13928	14.3
201.12315	2.1
228.13399	4.6
234.03729	1.0
234.40704	0.8
241.05009	0.8
245.18739	0.9
249.18420	1.0
288.18478	0.7
313.07129	1.2
359.12262	1.1
359.16925	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	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03934	0.9
55.01855	2.5
55.05492	2.3
56.05020	1.3
56.96537	0.8
57.03429	3.5
59.04987	1.6
61.02919	3.9
67.05500	3.6
69.03419	9.8
69.07059	4.7
70.06590	11.9
70.21093	3.6
71.04970	2.6
72.08153	9.6
73.02902	1.4
74.06064	1.1
77.05456	0.8
79.05483	4.0
81.03400	3.9
81.07049	7.8
83.04955	2.2
83.06096	2.4
84.04476	2.9
84.08144	7.1
85.02897	32.1
85.06522	1.8
86.09209	1.2
86.09698	21.4
87.04425	0.9
87.05572	1.4
91.03963	1.3
91.05460	10.5
93.07028	12.3
95.04958	4.1
95.08601	4.1
97.02881	8.0
97.06499	1.9
98.21483	0.8
99.04434	2.0
101.06008	1.0
103.05434	0.8
105.03369	1.7
105.07024	10.9
107.04925	0.8
107.08585	25.2
109.02888	4.7
109.06501	3.6
109.10147	3.4
111.08062	1.1
116.07034	1.1
117.07001	1.1
119.04932	3.1
119.08577	4.2
120.08087	2.0
121.06467	2.7
121.10114	2.1
123.08091	1.2
123.11690	3.9
125.09632	2.2
127.03922	5.7
129.10234	4.7
130.06540	0.9
131.08557	2.0
132.08081	1.2
132.10188	3.9
133.06104	1.2
133.09103	1.2
133.10121	23.5
134.10428	0.8
135.08075	1.6
135.10674	1.2
135.11681	22.3
136.07565	9.4
136.12083	1.0
137.05994	4.0
137.09581	2.7
138.09076	2.0
141.09155	0.8
141.10164	1.6
143.11766	1.3
145.04916	3.5
147.04388	2.7
147.11710	1.1
148.06133	0.8
151.11137	3.0
153.09145	1.1
159.09187	1.1
161.09596	13.9
166.08698	0.9
169.08636	1.1
169.12260	1.2
170.06017	1.0
171.11293	1.3
173.09155	1.0
179.07140	1.3
179.10652	39.5
180.06903	0.9
180.11104	1.0
182.12923	1.2
183.11328	2.5
185.54868	0.7
187.13252	1.6
196.09714	1.4
197.11705	100.0
198.11998	2.8
200.13887	1.7
212.09126	1.2
228.13437	2.4
232.57820	0.8
246.11899	0.7
246.14403	1.8
269.04239	0.8
271.05817	0.9
309.08542	1.6
323.25720	0.8
341.10934	1.1
359.12439	1.4
359.16571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20313	0.6
53.47803	0.5
55.05505	7.4
55.33754	0.5
59.04993	1.3
62.06083	4.2
67.05496	1.3
69.07063	21.0
69.42143	5.8
70.06578	1.1
72.08141	1.8
73.06548	2.3
77.23485	0.5
79.05510	1.2
81.03440	0.6
81.07051	1.3
82.06570	1.3
83.04968	7.2
84.08111	1.0
86.06060	17.2
86.09688	2.5
91.05457	1.7
93.07016	1.6
96.08127	5.7
97.06510	2.0
98.06016	1.0
98.09686	9.7
98.21469	0.8
99.04460	0.8
99.10004	0.6
100.07593	0.9
101.06013	5.1
105.07008	0.6
107.08583	0.9
108.03884	0.6
108.08104	1.5
109.72463	0.6
110.06165	0.7
110.09644	0.6
111.04434	6.6
112.07589	0.6
115.07574	2.9
116.09895	1.3
116.10722	26.1
119.08590	4.9
120.08081	0.9
121.08868	0.8
121.10207	0.6
121.32407	0.7
122.09665	1.1
124.07557	1.5
126.05547	1.1
129.05435	1.8
134.09680	1.4
135.10416	0.9
137.09547	1.4
140.10678	0.9
141.09094	1.7
142.08640	11.4
152.10614	0.9
154.08620	2.2
155.07007	1.9
158.11761	2.9
162.12772	1.0
164.10706	6.1
172.09671	1.7
173.08060	1.3
180.13808	1.1
182.15370	4.5
184.13309	1.4
190.12296	2.9
198.14883	2.0
208.13287	5.0
212.16457	6.8
226.14363	32.7
230.17488	1.9
244.15427	100.0
245.15797	2.2
322.20163	0.8
340.21146	13.0
354.77457	0.6
358.22232	3.9
377.91403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01872	1.0
55.05512	8.7
56.05025	1.9
56.96566	1.9
57.07060	0.8
60.04509	0.8
60.42801	0.8
63.51104	0.8
67.05483	3.9
67.68449	0.9
69.03433	2.1
69.07062	11.3
70.06594	5.7
70.16380	2.3
70.16781	1.5
71.04982	5.2
72.08141	2.9
73.06541	1.9
79.05477	3.8
81.07063	6.2
82.06567	1.2
83.04977	8.5
83.08613	1.2
84.04536	1.0
84.08136	2.7
85.02907	3.6
85.06534	1.5
86.06062	23.9
86.09207	1.9
86.09703	29.3
91.05471	4.0
93.07069	2.6
95.04958	1.9
95.08601	2.8
95.35079	0.8
96.08130	8.6
96.37087	1.1
97.02888	1.2
97.06510	3.6
98.06080	1.0
98.09689	14.0
98.20775	1.1
99.04416	2.0
101.06013	6.9
105.07028	2.5
107.08585	1.7
108.08096	3.2
109.02882	2.5
109.10127	2.4
111.04427	8.2
114.09126	1.1
116.10724	32.8
119.08556	3.1
120.08093	1.5
121.08911	1.5
121.10138	2.1
122.09673	1.5
123.08006	1.1
124.07564	1.4
129.05466	3.2
129.10222	1.4
130.04987	1.0
130.08653	1.1
133.10133	1.5
134.09624	1.1
136.11176	1.3
137.05983	2.1
137.09634	2.6
141.09064	1.3
142.08630	16.7
142.09708	0.9
145.10048	1.8
146.09679	1.2
154.08694	1.3
155.07019	2.5
162.12706	1.3
164.10725	7.8
173.08154	1.8
180.13799	3.1
182.15396	5.7
184.13400	1.1
190.12265	4.7
198.14911	2.9
199.18036	8.9
208.13347	7.2
226.14359	41.1
227.17493	3.2
244.15433	100.0
245.15817	1.5
337.74817	1.1
340.21213	1.5
358.14258	1.2
358.22113	2.5
359.12027	1.2
361.03192	1.7
362.02954	1.1
371.82382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.3
62.06075	1.9
62.42455	1.0
67.05507	1.3
69.07063	15.5
69.47570	3.6
69.47998	5.7
70.06567	1.7
72.08141	1.7
76.18058	1.0
79.05511	2.1
81.07029	1.6
83.04988	7.6
84.08122	1.2
86.06070	23.8
86.09697	10.6
91.05491	1.7
93.07024	2.1
94.20733	1.1
95.08609	2.2
96.08120	8.9
97.06503	3.1
98.09686	14.1
99.04458	1.4
101.06000	6.3
104.70890	1.3
107.08599	1.3
108.08110	1.7
110.09598	1.2
111.04417	8.2
115.07561	2.7
116.10725	31.4
117.07081	1.3
119.08578	3.7
121.08968	1.8
122.09674	2.2
124.07564	1.2
129.05498	2.1
134.09715	1.5
135.10452	1.6
136.07599	1.7
140.10738	1.2
141.09114	1.8
142.08623	14.3
145.10149	1.3
147.10420	1.1
148.11298	1.0
154.08556	1.1
155.06999	1.6
158.11800	1.5
159.96799	1.1
161.51537	1.2
164.10719	7.1
173.08063	1.8
180.13808	2.6
182.15416	7.7
184.13339	1.4
187.93414	1.3
190.12224	6.1
198.02510	1.2
198.14879	3.6
199.18015	1.7
208.13274	8.9
212.16434	3.0
218.22438	1.1
219.99239	1.2
226.14380	38.6
230.17543	1.4
244.15436	100.0
245.15881	1.6
245.18533	1.3
303.16931	1.1
340.21130	4.8
358.22232	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	358.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.8
56.05035	0.6
56.96552	0.8
57.03432	2.2
60.60648	0.5
61.02922	0.7
62.06089	0.9
66.12373	0.4
67.05482	1.8
69.03423	0.6
69.07053	1.7
70.06571	1.5
71.07366	0.5
71.08623	7.5
71.59923	0.7
72.08139	1.4
79.05489	1.2
81.03397	1.8
81.07062	2.6
83.04945	0.5
84.04494	1.2
84.08115	1.4
85.02902	16.0
86.06065	4.3
93.07020	1.1
95.04973	0.5
95.08582	2.0
96.08117	3.8
97.02874	0.9
97.06545	1.0
98.06050	1.7
98.09695	3.1
99.04443	1.7
99.08086	3.0
105.07021	0.9
107.08585	1.0
108.08112	2.2
109.10084	0.4
110.09673	0.7
113.08371	0.6
114.09166	0.5
116.10728	17.6
116.98638	0.5
119.08560	0.8
121.10142	0.7
122.09633	1.9
123.08051	0.5
124.07569	0.9
126.09166	1.1
127.03928	0.8
130.04971	1.5
131.04881	0.5
136.11223	0.8
137.06001	1.3
142.08612	0.8
143.10660	1.9
145.04959	4.8
154.15900	4.3
164.14377	0.8
166.15924	1.7
168.17494	0.8
170.15428	0.6
178.15924	2.0
196.16972	7.4
211.13277	0.5
212.16454	4.4
214.18007	100.0
215.18295	1.6
230.17513	0.9
234.95241	0.5
242.13889	1.3
243.10771	1.2
251.11227	0.7
260.14682	0.7
269.12469	3.5
270.12454	0.9
285.10095	1.2
286.04327	0.6
358.13776	0.5
358.22064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76918	0.4
55.05505	1.4
56.05040	0.8
56.96535	0.5
57.03425	1.8
60.04512	0.4
62.06080	0.7
67.05482	1.4
69.03416	1.0
69.07056	1.9
70.06574	1.0
71.04990	0.5
71.08625	6.7
71.18181	1.1
72.08144	1.4
73.02881	0.5
79.05481	1.1
81.03431	2.6
81.07064	2.6
83.08598	0.7
84.04485	1.8
84.08127	2.0
85.02902	14.2
86.06059	3.5
86.09690	0.5
91.05467	1.2
93.07023	1.5
95.04971	0.9
95.08607	2.7
96.08134	2.6
97.02875	0.7
97.06509	1.1
98.06045	1.3
98.09683	3.1
99.04440	1.9
99.08090	2.8
100.07594	0.5
105.06982	0.9
107.08550	0.7
108.08105	2.2
109.02845	0.4
110.09712	0.7
114.09173	0.6
116.10724	19.0
122.09634	1.3
124.07616	0.7
126.09124	0.7
127.03910	0.7
130.04976	3.2
137.06004	0.9
140.10712	0.8
143.10646	1.8
145.04961	5.0
148.07141	0.5
150.12733	0.6
154.12206	0.5
154.15887	3.4
164.14365	0.6
166.15884	2.6
168.17479	0.5
178.15915	1.4
187.49809	0.4
191.68108	0.4
196.16934	7.8
199.42554	0.4
200.79651	0.4
211.13255	0.4
212.02220	0.4
214.18004	100.0
215.18417	1.0
227.30363	0.5
242.13858	1.0
243.10754	1.1
260.14819	1.3
269.12274	3.3
270.12653	0.9
310.81396	0.5
340.12823	0.6
358.17905	0.6
358.22351	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	357.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.6
55.01864	0.5
55.05496	1.3
56.96541	0.6
57.03451	0.5
57.07059	0.4
67.05505	2.2
69.03416	1.1
69.07068	2.3
69.53547	2.6
70.06573	1.0
71.04973	1.0
79.05484	1.6
81.03400	1.2
81.07055	5.0
83.04978	1.1
83.08614	0.8
84.04505	1.0
84.08138	0.7
85.02884	0.9
85.06536	1.1
86.09729	0.5
91.05485	2.3
93.07036	3.4
94.04185	0.6
95.04954	1.4
95.08585	2.8
97.02864	1.3
97.06518	1.5
97.10167	1.1
98.21481	0.7
99.04437	0.5
99.08081	0.5
103.05468	0.9
105.07025	2.8
107.04958	1.0
107.08579	1.3
108.08121	0.8
109.02859	0.7
109.06519	0.7
109.10158	1.9
111.08083	1.3
117.07001	0.5
118.49417	0.4
119.08591	2.2
121.06522	0.7
121.10132	1.8
122.03616	1.2
123.04326	0.5
123.08042	0.8
123.11665	1.3
125.09608	0.6
127.03923	0.5
130.04962	1.2
131.04922	0.8
131.08559	1.3
133.10124	3.3
135.11711	0.7
136.07596	1.0
136.45863	0.4
137.05966	17.8
137.09612	0.7
138.06232	0.5
142.68726	0.4
143.04916	1.3
143.08560	0.8
145.10109	1.0
146.03619	0.7
147.11656	0.9
149.09563	0.5
149.13264	0.5
151.03891	2.4
153.05466	0.7
159.11661	1.0
161.05977	1.2
161.99197	0.4
162.05469	0.6
163.04041	0.4
165.05490	0.6
165.09077	0.7
175.11186	0.6
177.05524	0.9
178.06274	0.8
191.08514	0.7
201.16339	0.5
203.07085	0.6
205.08592	0.5
207.08049	0.6
214.18114	0.6
239.16479	0.5
247.07425	0.6
251.07028	0.4
261.09103	0.8
265.05170	0.5
265.08679	0.5
274.06409	0.5
277.08752	0.6
283.06284	3.3
287.89502	0.4
301.07339	0.5
307.09546	0.9
314.17444	0.9
321.11188	1.0
321.24380	0.8
325.10678	0.7
327.12036	2.4
351.94882	1.0
357.09039	3.3
357.18802	100.0
358.19360	5.8
380.79932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1329
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.61876	2.0
55.01866	21.1
55.05502	4.9
55.45324	1.5
56.36529	1.5
56.96538	2.7
57.03433	3.0
58.06585	1.7
61.14908	1.6
64.41386	1.7
65.03931	5.4
66.04714	2.7
67.05480	7.1
69.03407	4.9
69.07045	6.0
70.06576	8.3
70.26263	5.7
72.08150	1.7
73.02957	1.5
79.05478	9.0
81.03388	2.8
81.07053	19.8
83.04980	2.0
83.08605	1.8
84.04516	2.3
84.08133	8.3
85.02871	2.2
85.06525	3.2
86.09699	8.7
91.05455	11.3
93.03391	1.8
93.07043	8.9
94.04169	6.9
95.04971	5.4
95.08575	8.8
97.06506	3.5
98.09780	2.0
98.20802	1.9
99.04444	9.0
103.05459	5.8
105.07019	8.2
107.04961	6.1
107.08582	5.6
109.06493	6.4
109.10142	6.8
111.04457	8.0
112.76578	1.9
115.03951	2.6
115.05432	6.0
117.03302	1.8
117.06985	4.2
118.04174	1.8
119.04925	3.1
119.08555	5.6
121.06490	4.1
121.10146	7.0
122.03637	16.7
123.11661	9.0
125.05981	4.7
125.09624	2.0
127.03901	2.0
128.06232	2.3
129.06972	2.7
131.04898	6.2
132.08057	2.7
133.06459	3.0
133.10106	4.0
134.03609	2.5
135.07985	1.7
135.11658	2.8
137.05962	100.0
137.09544	3.2
143.04900	6.1
143.09401	7.1
144.05698	2.5
145.04979	2.6
145.10127	2.8
146.03600	7.3
147.04373	6.0
147.11636	2.9
149.05980	4.3
151.03885	6.7
153.01822	2.8
153.05440	6.8
154.08511	2.7
155.04903	6.1
159.06516	2.7
159.07970	2.6
159.11655	2.6
160.05183	2.3
161.05949	19.5
161.09578	1.9
161.13300	1.8
162.06731	3.2
163.03917	1.9
165.05481	28.3
165.06868	3.6
165.09042	3.5
167.10640	2.0
171.04405	3.1
172.09572	2.2
175.07481	8.7
177.05481	13.4
178.06253	2.6
178.07698	4.0
179.08556	5.5
181.06497	4.7
183.04459	2.5
187.07510	5.9
189.06987	9.0
190.07738	12.2
191.08493	13.9
193.12234	2.1
195.07991	2.9
202.07773	4.2
202.10719	5.0
203.06969	6.3
203.08632	2.4
205.06401	5.6
206.07199	5.8
207.08038	13.1
208.08823	5.6
215.06973	11.1
216.12315	7.5
217.06454	4.6
218.07233	20.4
219.08015	30.1
220.08519	3.1
221.06000	5.5
222.06836	2.4
223.07559	3.6
227.07045	2.9
229.06464	5.1
230.07172	2.3
231.08028	3.8
233.09607	3.3
234.06761	9.1
235.07469	14.4
236.08206	9.7
237.05577	2.9
237.09062	3.9
245.05882	3.1
246.06801	18.7
247.07516	32.6
248.08246	5.1
249.05382	2.8
249.09050	7.5
250.06172	2.5
250.15451	7.5
250.65555	2.9
251.07001	4.9
251.10609	2.8
252.07861	2.1
253.08469	3.8
257.05850	6.1
259.07336	3.7
261.09067	26.9
262.06201	2.9
262.09427	1.9
263.07019	16.1
264.07748	13.2
265.08557	6.7
267.10168	3.1
269.08020	3.9
269.10614	2.0
273.05527	2.3
274.06088	11.7
275.06943	9.3
276.07709	4.0
277.08511	21.7
278.09369	7.0
279.06467	4.7
279.10117	14.1
280.07117	2.2
281.08008	4.1
283.06238	3.1
289.08566	38.5
290.09204	5.5
291.06525	4.1
292.07211	4.0
293.08215	3.1
293.11584	2.5
294.08853	6.1
295.09637	6.3
303.22861	2.1
306.08826	10.3
307.09601	74.8
308.10144	3.2
309.07846	2.7
309.11102	16.2
311.12781	4.7
321.11179	50.8
322.11780	2.6
324.09937	2.7
327.12268	22.9
339.08395	3.1
339.12231	32.8
357.08826	7.5
357.13425	8.7
357.17404	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	357.1178
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
50.06699	0.5
56.05012	0.8
56.70839	0.4
56.96554	0.5
57.03411	0.5
60.68052	0.4
63.67944	0.4
68.99773	2.0
69.03410	1.5
69.07056	0.6
70.06586	8.9
70.28226	0.9
70.28593	1.7
71.04990	0.7
72.08154	3.7
74.06078	0.5
79.05488	0.6
81.03394	1.1
81.07050	2.6
84.04484	1.9
84.08133	6.1
85.02898	3.3
86.09694	3.7
87.05550	0.7
91.05423	0.9
93.07000	1.0
95.04967	0.6
97.02863	1.8
97.06549	0.6
102.05483	0.6
103.05435	1.1
107.04964	2.4
110.06012	2.2
110.07148	1.5
111.04424	0.6
112.08660	0.7
115.08714	0.7
116.07082	1.8
119.04917	1.0
121.06492	2.6
122.39238	0.5
127.03919	1.2
129.10214	2.5
131.04889	0.8
135.04285	0.7
137.05963	1.6
145.08589	0.7
147.04388	2.7
149.05971	46.8
150.06311	1.0
153.05403	0.5
177.05453	43.0
178.05821	1.4
195.06508	100.0
196.06850	2.6
197.12917	0.8
263.89429	0.7
286.89529	0.5
292.70096	0.5
350.94592	0.7
351.94897	0.6
357.06894	0.5
357.11154	0.7
357.15271	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	356.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.4
55.05505	1.5
64.35934	0.5
66.53194	0.5
67.05508	4.9
68.30702	0.4
69.03423	1.5
69.07059	5.5
70.06589	52.7
71.04990	0.8
71.59947	0.9
72.08137	1.1
76.76609	0.5
79.05509	1.4
81.03414	3.5
81.07043	3.4
82.06568	0.7
82.55980	0.5
83.04986	1.4
84.04487	0.7
84.08134	0.9
85.02905	1.5
85.06538	1.3
86.06075	1.1
86.09702	70.8
87.09995	1.1
91.05448	1.2
93.07045	1.7
95.04974	1.7
95.06063	0.7
95.08607	1.5
95.80646	0.5
96.08139	0.5
97.06514	1.1
98.09684	0.7
99.04451	1.1
101.06010	0.6
105.07021	0.8
107.08565	1.2
109.02862	0.7
109.06539	0.9
109.10153	6.7
110.06020	1.2
111.04424	0.8
111.08075	0.6
114.09151	0.5
116.04987	1.4
116.10712	0.8
118.18406	0.5
119.08566	1.4
120.08131	1.2
121.10139	0.6
126.09135	0.6
127.03906	1.0
130.08633	100.0
131.08975	2.0
137.05983	3.0
137.09607	12.2
139.03932	0.6
142.08617	0.8
144.04417	2.4
146.06017	1.7
149.13202	0.5
154.08630	5.3
155.10712	0.8
157.05037	0.6
162.05498	0.8
165.09103	7.7
167.10672	0.8
172.03931	7.5
172.09686	3.3
199.18050	13.9
201.11169	0.7
204.06549	9.4
227.17555	3.6
228.15976	1.7
244.15451	0.6
253.13319	0.7
275.92352	0.6
286.89389	1.2
339.14230	1.3
350.94489	0.6
356.08377	1.9
356.16211	0.6
356.20517	1.6
357.13794	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	356.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.05510	12.3
55.11338	1.1
57.03425	2.5
57.38741	1.3
62.06089	1.3
67.05493	4.2
68.05038	2.4
69.03432	2.0
69.07049	4.4
70.02951	4.3
70.06574	7.4
71.04990	2.1
71.48713	2.8
72.08157	3.3
73.02914	1.6
79.05489	3.1
81.03439	1.9
81.07056	3.9
82.06573	23.3
83.04979	10.1
84.04492	3.0
84.08140	2.7
85.02905	9.3
85.06543	19.9
86.06065	11.6
86.09711	5.1
88.03992	2.4
91.05467	2.8
93.07027	2.6
95.04973	3.4
95.08607	2.9
96.05276	1.4
96.08134	5.3
98.06053	2.2
98.09690	4.7
99.04456	3.5
101.06018	2.9
103.03905	1.5
105.03391	11.3
105.07047	2.1
106.03696	8.1
107.04944	1.5
107.08598	2.8
108.08125	3.5
109.06544	1.6
109.10179	1.6
110.06040	19.4
111.04440	4.5
112.07574	1.6
113.06008	7.6
115.08705	1.7
116.10706	7.5
122.09645	1.5
123.04417	1.2
124.07587	9.3
126.09150	11.5
127.03983	1.3
128.07076	6.3
129.05496	1.8
129.06444	1.4
131.04942	1.4
134.09622	1.4
135.04439	1.6
135.05446	1.2
137.06000	2.1
138.09058	1.5
140.10754	1.9
142.08594	8.4
146.03615	5.7
147.04428	4.1
148.04770	2.1
149.05969	1.5
151.11177	1.3
152.07091	6.6
152.10698	4.1
153.05501	2.3
154.08627	100.0
155.07056	1.6
159.11711	1.4
163.03926	3.0
165.05574	1.5
166.06273	1.8
170.08115	1.9
172.09685	97.1
173.08130	5.3
173.09857	1.5
176.10677	3.2
177.05482	4.1
178.06206	6.3
178.12317	1.6
179.07001	1.3
180.07417	2.3
185.11708	8.2
187.03920	1.9
188.09177	19.5
193.04965	1.6
194.05353	3.4
194.11795	1.9
194.15384	9.4
210.14996	2.3
210.17201	1.2
212.16451	33.0
212.18333	2.2
228.15942	19.3
242.13925	6.7
262.89462	1.1
295.15460	4.1
338.19635	7.0
356.20697	42.0
357.15002	1.3
357.21103	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	356.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97181	0.8
53.03936	1.0
55.01855	3.1
55.05253	1.3
55.05501	12.9
56.05019	1.8
57.03429	1.9
57.07063	1.1
62.06084	1.0
67.05495	8.6
69.03416	2.7
69.07061	6.9
70.02933	2.4
70.06583	11.9
70.66785	2.1
71.04998	4.0
72.08150	4.4
74.06052	1.3
76.74622	0.9
77.45286	0.8
79.05485	5.9
81.03401	1.8
81.07048	5.1
82.06107	1.6
82.06569	23.0
83.04974	9.6
84.04498	4.1
84.08126	4.9
85.02905	4.4
85.06540	15.6
86.06059	9.9
86.09704	19.0
87.04426	0.9
88.03996	1.4
91.05436	6.4
93.03410	0.9
93.07030	6.6
94.06531	2.0
94.07407	1.1
95.04943	3.5
95.08582	3.1
96.08138	5.1
97.02878	1.3
97.06524	3.5
98.06017	2.1
98.09686	4.9
98.21416	1.0
99.04448	2.0
100.07623	1.3
101.06012	4.9
102.05583	1.2
103.05467	1.8
105.03421	1.0
105.07008	3.1
107.04932	2.2
107.08600	2.7
108.04498	0.8
108.08108	3.0
108.08811	1.0
109.02911	1.0
109.06509	1.7
109.10155	2.0
110.06043	14.8
110.06835	1.0
110.07161	2.1
110.09721	1.5
111.04417	5.8
112.07653	0.9
113.05991	6.0
115.05413	1.2
116.10720	6.6
117.03339	1.8
118.04160	1.5
119.04924	1.7
119.08573	3.6
120.08108	2.9
120.08910	2.4
121.02820	0.9
121.06480	1.9
121.10127	3.0
122.09651	1.8
122.10452	1.5
123.04411	1.1
123.08020	1.2
124.07574	3.9
125.09644	1.8
126.09154	10.4
127.03933	1.4
127.07600	1.0
128.07104	4.1
129.05469	2.1
129.06685	1.1
129.10214	2.1
131.04918	2.3
131.08569	1.8
132.05707	1.2
132.10204	4.8
133.02853	2.0
133.10135	2.4
134.09612	1.3
135.04353	1.9
135.08032	1.9
135.10419	1.3
136.07520	1.6
137.05980	6.5
137.09579	1.7
138.06335	1.6
140.10678	7.5
142.08607	6.4
145.02814	1.5
145.10078	1.6
146.03624	8.5
146.06105	0.9
146.10568	1.0
147.04396	3.8
147.11694	1.3
148.12097	1.3
149.05960	2.3
149.09608	1.4
150.09120	1.0
151.03888	1.9
151.11188	1.2
152.07069	1.8
152.10645	1.6
153.05472	3.3
154.08615	100.0
155.06996	3.2
155.08961	1.2
158.11781	7.4
163.03889	7.7
164.07050	1.6
165.05569	4.1
165.06851	0.9
166.06235	2.9
166.13110	1.2
167.10622	1.1
172.09668	91.3
173.08093	6.2
173.10043	2.0
176.10681	1.5
177.05458	6.9
178.06235	15.5
185.11690	7.8
187.03757	1.4
188.09212	4.2
193.04958	2.1
194.15408	3.1
197.12907	2.9
201.05498	3.5
202.05829	4.2
210.14879	7.1
212.16429	10.3
215.07095	0.9
223.07295	1.1
224.12740	2.1
226.14391	1.6
228.15933	31.7
228.18172	1.7
242.13852	11.1
244.15457	1.3
250.09644	1.2
250.14278	1.3
262.89523	2.7
273.04532	0.9
277.08533	1.1
278.08984	1.3
280.15570	1.0
286.89474	1.6
295.15186	1.7
313.12604	2.7
326.10733	1.1
338.10843	1.1
338.19626	11.8
338.23410	1.9
339.08603	2.6
350.94641	3.0
356.20663	57.0
357.11398	14.6
357.21027	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	356.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01864	3.1
55.05505	11.0
56.05022	5.4
57.07064	3.5
60.04516	4.1
65.03919	3.4
67.05499	24.8
69.03418	7.2
69.07057	8.3
70.06587	35.2
71.04993	4.9
71.60573	3.6
72.08147	12.3
74.06072	3.6
79.05481	10.1
81.03419	5.3
81.07063	20.1
82.06564	5.3
83.04971	6.9
84.04497	20.9
84.08135	51.5
85.02879	4.2
85.06518	6.2
85.08459	2.6
86.06061	100.0
86.09690	16.9
91.05479	7.4
93.07046	9.4
95.04956	11.6
95.06081	2.3
95.08614	7.5
96.08130	2.7
97.02901	6.4
97.06523	5.5
98.06074	2.9
101.05999	4.3
103.05441	4.5
105.07021	6.5
107.04930	2.9
107.08589	6.0
109.10139	28.6
110.06059	4.0
110.07156	4.8
111.04436	3.2
112.08731	2.7
115.08720	3.4
116.07073	2.6
117.07082	3.3
119.08604	6.7
120.08103	40.6
120.08914	3.9
121.02850	3.4
121.06529	4.3
121.08389	3.3
121.10167	3.1
129.10226	14.4
130.05002	25.2
130.08595	3.3
131.08551	2.8
132.10237	3.6
133.10164	2.5
136.07567	3.5
137.05968	7.2
137.09610	50.5
140.10735	4.0
144.10211	11.2
144.13800	2.5
145.10136	3.9
147.11707	3.3
149.09616	2.4
151.03864	3.6
154.08646	16.3
155.10646	3.4
157.09898	5.1
158.11789	6.1
163.04085	2.2
164.07022	2.5
165.09096	33.0
172.09683	14.7
177.05434	7.5
178.06215	2.6
183.10217	3.5
185.11707	2.6
199.11935	6.7
201.11211	2.3
210.14972	2.4
214.10768	5.8
262.89456	5.6
286.89374	4.6
313.29047	2.6
338.10385	3.1
339.08545	11.4
339.14267	7.1
350.94452	7.1
355.70370	6.8
356.11301	7.1
356.16553	3.6
356.20612	16.9
356.24454	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	356.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.8
55.01868	7.8
56.05035	3.8
56.96568	3.4
57.03424	8.0
60.04515	3.6
61.02908	6.7
65.03924	2.8
68.99776	2.5
69.03424	45.0
69.07075	2.8
69.81306	15.1
70.06587	36.0
71.04996	5.0
72.08151	9.0
73.02924	4.0
73.06542	15.4
74.06079	3.0
79.05517	3.7
81.03420	27.5
84.04496	6.7
84.08145	17.8
85.02898	100.0
86.09705	7.8
87.00820	49.6
90.94838	3.2
97.02882	42.1
97.06518	5.3
98.21491	3.1
99.04443	16.2
105.01857	81.9
109.02863	28.5
110.07156	8.4
117.01849	4.1
119.04905	7.3
127.03901	69.1
128.04247	2.7
129.01828	4.7
129.10228	7.9
130.04973	2.3
130.08612	3.5
136.06180	2.5
137.05948	4.2
145.04933	23.5
146.97437	3.4
147.04387	28.7
156.07918	2.7
159.02904	8.8
163.03935	6.1
164.04695	4.2
166.04993	3.7
176.07059	2.9
194.04454	7.3
194.08176	3.7
194.11674	2.8
212.30511	2.7
213.03831	3.2
224.11502	2.3
231.05025	21.1
244.88319	3.3
249.06099	6.7
262.89288	12.3
263.89874	2.6
286.89316	12.3
304.90436	4.0
308.93555	5.5
350.94791	13.8
351.94656	2.4
356.01297	3.0
356.13141	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	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03966	3.7
55.01858	5.7
55.05506	30.2
57.03431	11.1
57.07068	15.4
67.05502	69.6
68.28555	2.7
69.07064	45.4
70.31161	13.3
71.08623	6.0
79.05492	25.0
81.03439	3.3
81.06577	5.5
81.07050	100.0
83.08608	30.3
83.39598	2.5
85.10163	3.1
91.05470	15.7
93.07033	26.5
95.03996	2.7
95.04975	4.6
95.08602	79.7
97.06538	11.2
97.10159	21.3
105.07021	16.7
107.08576	22.5
109.10152	40.5
111.08051	6.8
111.11715	7.2
119.08553	13.1
121.10158	26.8
123.11692	18.4
125.13260	3.1
129.05458	3.9
133.10133	21.2
135.11661	16.1
137.09525	3.4
137.13240	11.0
147.11685	11.7
149.11438	3.2
149.13245	15.4
151.14799	6.6
161.13266	17.6
163.14804	15.2
165.16423	6.4
175.14865	11.7
177.16315	3.7
179.17874	4.5
189.16452	5.6
245.22601	54.0
263.23679	58.2
337.23569	4.4
337.27356	37.1
355.28308	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	32.5
57.03425	8.8
57.07075	20.6
67.05499	89.5
69.07060	49.3
69.47781	7.1
69.48189	29.2
70.06567	5.2
71.04989	3.9
71.08633	8.5
79.05493	29.8
81.03406	6.8
81.07052	100.0
83.04969	4.5
83.08610	45.6
85.06567	5.4
85.10175	5.3
88.07623	5.1
88.79449	3.5
91.05427	18.7
93.07024	38.9
95.04976	5.1
95.08601	98.7
97.06511	8.3
97.10155	24.7
98.21560	7.2
99.08103	6.9
101.09613	3.5
105.07037	24.6
107.08597	28.7
108.71158	4.0
109.10153	49.6
111.08082	4.9
111.11712	9.0
113.09650	4.8
119.08597	20.6
121.10133	33.6
121.69395	3.5
123.11713	29.8
125.13187	3.8
127.11267	4.0
131.08591	4.1
133.10109	19.4
135.11699	19.0
137.13258	8.7
141.12750	5.6
147.11676	16.3
149.13232	19.6
151.14807	8.8
159.11674	4.2
161.13222	18.8
163.14847	13.3
165.16364	8.1
175.14824	14.9
189.16544	5.3
245.22636	48.4
263.23691	57.8
319.25443	3.5
337.27365	26.0
355.28159	11.4
356.35217	36.4
366.26483	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03933	3.7
55.01855	2.9
55.05503	36.7
56.96552	5.2
57.03431	13.3
57.07069	12.8
65.03918	1.7
67.05496	80.1
68.05835	1.2
69.07059	48.6
69.72488	7.9
71.04972	3.8
71.08627	6.5
73.02899	1.6
74.35834	1.1
75.04459	1.8
79.05483	29.9
80.06223	1.5
81.07047	100.0
83.04972	2.4
83.08129	2.5
83.08607	33.7
83.36922	1.1
83.43658	1.4
85.06522	3.6
85.10169	3.0
91.05467	21.5
93.07033	32.0
95.04943	2.4
95.08594	83.3
96.08906	1.7
97.06519	12.5
97.10154	25.4
98.20831	2.3
99.08095	5.1
103.03933	2.3
105.07012	13.9
107.08583	21.4
109.06519	1.9
109.10144	41.5
111.08058	3.5
111.11713	6.4
113.09632	2.2
117.07022	1.4
119.08569	16.4
121.10131	32.9
121.11017	1.7
123.08089	1.5
123.10809	1.5
123.11698	25.1
125.09553	2.3
125.13232	2.5
127.11192	1.8
128.98552	1.9
129.05489	1.9
133.10130	17.4
135.11681	16.2
137.09567	2.2
137.13235	11.0
139.11223	1.7
141.12744	2.0
145.10129	1.1
146.99597	2.4
147.11664	12.2
149.13242	13.1
151.11220	2.5
151.14793	7.1
155.14111	1.2
161.13261	15.9
163.14813	12.9
165.16412	6.9
167.14301	2.8
175.14804	10.2
177.16403	2.9
179.14340	2.1
179.17932	5.0
181.15918	1.8
186.45711	1.2
189.16367	7.7
203.18056	2.1
245.22624	49.1
246.23067	3.4
247.24159	1.5
263.23666	48.6
264.24002	2.2
265.25211	1.9
281.24924	1.4
288.90741	1.2
315.16080	5.5
333.17380	14.2
337.27319	29.0
350.94598	2.3
351.18259	6.0
355.28329	11.3
356.19055	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	355.2838
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.35987	1.6
55.01859	3.7
55.05508	34.1
55.81443	1.7
55.98051	1.6
57.03429	11.3
57.07068	15.9
61.16589	1.7
66.11311	1.9
66.30232	1.6
67.05502	81.0
69.07063	49.1
69.38987	16.8
69.72392	2.1
70.31277	1.7
71.04984	2.0
71.08620	6.0
79.05491	24.8
81.07050	100.0
83.04953	3.4
83.08610	35.9
85.06531	2.5
85.10174	3.8
89.95919	1.9
91.05469	23.3
93.07034	36.0
95.08603	88.1
97.06522	10.7
97.10166	25.2
99.08076	3.4
105.07021	15.4
105.49799	1.6
107.08596	22.3
109.10149	43.2
111.08075	4.9
111.11700	7.8
119.08559	15.2
120.51215	1.6
121.10139	34.9
123.11717	22.2
125.09594	3.0
125.13244	3.4
129.05450	2.4
133.10109	24.4
135.11696	19.4
137.09618	2.5
137.13234	11.8
139.11194	3.4
139.14749	2.1
147.11681	13.3
149.13281	17.9
151.14799	6.4
161.13292	15.5
163.14822	15.3
165.12737	2.7
165.16389	8.7
167.14400	3.1
175.14799	13.0
177.16460	3.3
179.17923	3.7
181.15851	2.2
189.16394	4.6
217.19470	2.1
245.22644	50.0
263.23694	46.5
281.24725	2.7
290.88141	1.9
337.27386	28.0
338.27512	2.3
355.28500	10.2
356.35052	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	355.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01876	1.4
55.05497	3.1
57.03430	2.0
63.02329	0.7
65.03954	1.0
67.05496	5.2
68.99795	2.7
69.03444	2.4
69.07060	4.1
69.83038	3.8
71.01363	1.7
71.04990	0.9
76.32074	0.6
79.05490	6.2
81.03416	3.5
81.07059	4.1
83.04984	2.8
83.08613	1.1
84.08153	0.7
85.02902	1.3
85.06558	1.6
91.05438	5.3
93.07049	6.0
95.04962	3.9
95.08596	3.7
97.02902	1.9
97.06522	17.9
97.10123	1.0
98.21467	1.3
98.97531	0.8
103.05429	1.1
105.07015	4.1
107.05000	1.3
107.08591	12.5
109.02876	1.7
109.06537	1.2
109.10159	2.7
111.00792	1.8
111.04440	0.9
111.08128	0.8
115.05486	1.0
117.07018	2.1
119.04967	1.5
119.08588	3.1
121.06525	0.8
121.10101	4.2
121.80387	0.8
123.04455	1.2
123.11707	0.8
125.05985	0.8
128.06229	1.5
129.06995	2.3
131.04887	0.8
131.08580	0.7
132.65497	0.7
133.06480	1.3
133.10101	0.9
135.08060	1.0
135.11673	8.7
137.02362	2.0
137.06017	2.7
137.09659	2.0
141.07016	2.2
143.04887	0.8
143.08591	1.4
145.06474	2.9
145.10121	1.4
147.04419	2.3
147.08102	0.9
147.11705	1.2
149.09550	0.9
149.13255	0.8
153.01814	18.8
153.02971	1.3
153.06943	0.8
154.08672	1.1
155.08594	0.8
157.06496	1.5
159.04468	1.3
159.08121	2.1
160.05232	0.7
161.06015	2.5
163.03908	2.5
163.11133	1.9
165.01839	2.8
165.07007	2.0
165.09067	0.8
167.08607	1.0
169.06474	2.1
171.04472	1.3
171.08063	0.9
172.09718	0.9
173.05917	3.5
173.09727	0.7
174.03067	1.0
175.07581	2.7
175.11211	1.0
179.07108	1.4
181.06538	2.2
181.12276	3.9
183.08128	1.6
184.08868	1.0
185.06012	2.6
185.09604	2.2
186.03287	1.1
187.03937	2.2
187.07599	2.4
189.05431	4.1
189.09161	1.2
193.04976	1.2
193.12285	1.3
194.07291	0.9
195.08104	2.2
195.11594	0.8
197.05943	4.1
197.09526	0.8
199.07498	3.4
200.04706	0.9
201.05473	6.6
201.09186	1.3
205.06496	1.2
211.07661	2.2
212.08325	3.9
213.05464	9.3
213.09187	2.8
213.12752	1.0
215.06990	4.8
215.10736	1.2
217.05002	0.9
221.09694	1.0
223.07588	1.3
223.11302	1.0
224.08226	1.0
225.05501	1.2
225.09177	1.9
226.06262	0.9
226.09781	1.2
227.07103	2.6
229.05064	1.7
234.06894	0.7
237.09148	1.7
239.07106	1.8
239.10870	1.3
239.14255	1.2
241.05005	1.4
241.08656	2.8
241.12167	8.4
242.05864	2.0
243.06584	2.9
252.04150	1.0
253.04976	2.3
253.08693	1.7
255.10086	1.2
255.14133	0.9
259.09799	1.9
262.89618	0.9
263.06989	1.0
265.08594	0.8
265.12347	1.3
266.09692	0.7
267.10367	1.3
267.13882	3.2
269.04446	6.1
269.07422	1.0
269.11743	1.6
270.05130	5.1
271.06018	4.5
271.09476	1.0
277.08704	0.7
279.10983	15.7
281.04959	1.1
281.08243	3.0
282.08945	0.8
283.06149	0.9
283.13342	1.5
285.01215	0.9
285.03912	1.6
285.07626	0.9
286.04681	0.9
286.89349	1.0
293.11691	1.8
297.04019	1.4
297.12115	2.1
298.04642	6.6
299.05496	3.2
299.08908	1.0
299.12643	0.9
301.03464	1.0
303.08673	1.8
309.07587	1.6
309.14883	1.9
311.05637	1.0
311.13010	6.9
311.16333	1.2
313.03482	5.7
313.14398	1.5
320.13672	1.1
323.09985	45.7
324.10391	2.7
326.04230	4.1
326.07690	1.2
327.04904	2.2
327.08813	2.5
327.15924	1.7
337.07275	1.2
337.10724	1.1
337.14282	7.5
340.05780	1.1
350.94580	1.9
355.08200	100.0
355.12344	13.6
355.16150	15.9
356.08578	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	355.1022
Annotation	ST077074
Peak:m/z	Relative Intensity
52.09687	0.5
55.01847	0.7
55.05508	1.4
56.05025	1.3
56.96548	1.5
58.06582	1.6
60.05629	0.7
64.94746	0.6
65.03935	0.8
67.05488	1.3
67.45047	0.6
69.03416	2.2
69.07048	1.1
69.76400	3.5
70.06588	12.7
71.06880	0.8
72.08150	3.7
73.02902	0.7
74.06059	0.7
79.05478	0.9
81.03406	1.1
81.07052	1.5
82.06573	0.8
84.04469	2.5
84.08139	17.2
85.02897	2.0
85.08442	0.7
86.09698	7.0
88.03978	0.6
89.03879	1.0
90.94836	0.6
91.05376	1.2
91.05849	1.4
93.07027	0.9
95.04959	1.1
95.08572	1.5
97.02876	2.7
98.06023	0.7
98.97556	1.2
102.05544	0.8
103.05472	0.6
105.07018	1.2
107.04980	1.3
107.08599	1.0
109.02860	0.9
109.06512	1.2
109.10091	0.6
110.07170	3.3
111.04403	0.8
116.07088	1.5
116.98661	0.7
119.04910	1.6
120.08085	3.2
122.03626	1.7
122.05981	1.8
127.03855	0.6
129.10222	4.4
133.01826	0.9
133.02849	18.6
135.04453	0.8
136.06175	1.7
136.07535	1.8
137.05962	6.1
141.10307	0.7
147.04405	3.6
148.07474	0.8
149.05960	2.0
150.03117	1.0
150.05460	0.9
151.07408	0.7
153.05434	0.9
158.97435	1.0
163.03905	3.3
163.11130	0.7
164.06992	0.8
165.05467	2.5
166.08565	0.6
170.08078	0.8
177.00693	0.6
178.02608	10.2
193.04956	100.0
194.05281	2.1
197.16466	2.6
201.05536	0.7
219.01810	0.7
219.78932	0.7
234.99033	1.7
237.02853	1.2
250.09430	1.0
262.89581	1.2
263.52011	0.7
285.01004	0.8
286.89792	1.3
331.59442	0.6
337.25980	2.1
350.94681	0.9
355.13678	2.6
355.18527	0.6
355.26987	2.6
356.04501	1.0
374.04941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04491	1.3
61.86583	0.7
65.03918	2.0
67.05518	0.6
70.06590	6.0
71.35648	1.6
72.08141	3.3
81.03399	1.3
81.82558	0.8
84.08137	7.0
86.09695	4.8
91.05457	13.2
98.03944	0.9
105.03368	0.9
110.07161	1.0
113.08493	0.8
119.04938	25.3
120.08123	1.4
129.10220	2.3
135.04366	1.5
136.06172	1.2
136.07545	1.0
137.05905	0.9
139.17656	0.8
147.04395	100.0
148.04776	1.3
163.03857	5.8
192.56586	0.9
193.04918	5.1
223.86897	0.8
229.46931	0.7
259.97476	0.9
286.89584	0.9
355.13690	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	355.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43046	0.7
55.05500	0.9
57.03409	0.9
67.05489	1.0
69.03421	1.1
69.07071	0.8
70.06589	5.4
70.84005	0.9
70.84348	1.6
72.08136	2.7
73.04766	1.0
73.45439	0.7
79.05458	2.8
81.03403	1.0
81.07041	1.4
83.04958	2.0
84.04487	1.5
84.08141	6.5
85.01235	0.6
85.02889	1.5
86.09689	3.0
86.97918	0.7
88.03989	0.8
89.03913	7.3
91.05424	2.5
91.05859	1.8
95.04942	2.1
97.02891	1.7
97.25696	0.7
98.09647	0.7
106.44740	0.7
106.45461	0.6
107.04948	4.8
110.07132	2.1
111.04446	1.5
117.03373	8.8
119.04936	5.0
120.08070	1.1
122.28043	0.6
123.04469	1.0
127.03905	1.5
129.10194	2.2
129.71698	0.6
134.03610	1.8
135.04414	22.1
136.06152	1.1
136.07564	1.9
137.06013	1.5
145.02832	12.0
145.03957	0.8
147.04398	16.2
160.05064	4.1
161.05385	3.1
163.03888	100.0
164.04208	2.5
174.05492	1.1
175.05946	1.6
181.05043	1.7
192.07645	2.4
193.04909	2.7
193.08183	4.7
218.11806	0.7
262.89374	1.3
268.97672	0.8
285.00787	1.1
297.91663	0.7
350.94644	2.2
355.07486	0.8
355.13086	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	354.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01866	0.6
55.05519	0.7
56.05025	0.6
56.96574	0.8
57.03444	1.3
60.04539	1.2
61.02918	2.4
65.03951	0.5
67.05512	0.8
68.91605	0.3
69.03424	6.6
69.07065	0.8
70.06586	11.2
71.00264	1.2
71.01314	0.5
71.05001	0.8
71.06918	0.5
72.08141	3.4
73.02939	1.1
74.06077	0.5
77.81602	0.4
81.03422	2.8
81.07041	0.6
84.04509	1.4
84.08134	8.8
84.08613	0.7
85.02897	13.3
85.08513	0.7
86.06073	0.5
86.09698	10.5
86.10220	0.6
87.04440	1.0
87.10016	0.5
88.03965	0.5
91.03980	0.8
91.05408	3.2
94.06554	2.8
95.04967	1.3
95.08575	0.4
97.02872	5.3
97.06538	0.4
98.97591	0.5
99.04478	1.2
102.05569	0.6
105.03414	0.6
105.06975	0.4
109.02889	1.7
110.07157	2.8
111.04426	0.5
112.08726	0.5
116.07092	0.6
116.98611	0.6
117.05804	0.7
118.06516	4.0
119.04913	2.0
120.08112	1.6
122.06017	3.7
123.04374	0.7
127.03875	2.2
129.10233	5.2
130.10558	0.5
133.06396	0.6
134.03616	1.3
134.06026	0.8
134.99649	0.6
135.04399	0.4
136.07574	2.3
137.05952	0.6
138.05508	0.4
141.06732	0.4
145.04968	1.3
146.03467	0.4
146.05997	10.5
147.04390	7.4
147.07899	0.4
150.05562	1.0
160.05046	98.8
160.15291	0.5
161.05396	1.2
162.05534	1.1
163.03873	0.7
164.07025	5.7
174.05490	63.0
175.06075	0.7
176.07085	1.0
182.08209	0.6
192.07803	100.0
193.04932	0.4
193.07982	1.3
199.18042	1.0
203.10303	1.2
237.02774	0.4
293.14310	0.5
336.10699	0.8
354.11868	28.1
355.12167	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	355.1021
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
52.67645	0.5
53.03931	2.4
55.01858	1.2
55.05504	1.4
56.03887	0.5
56.05014	2.5
57.03422	3.7
58.06596	0.8
61.02903	1.3
65.03926	0.6
67.05486	1.7
68.99763	0.8
69.03425	3.3
69.07050	1.7
70.06580	5.5
71.01344	4.0
71.04986	0.9
71.59035	1.0
72.08138	2.2
73.02912	5.3
79.05478	4.7
79.80888	0.6
81.03426	1.1
81.07040	1.5
83.04953	0.8
83.06078	1.3
84.04494	1.7
84.08141	6.3
85.02894	10.1
85.06532	2.4
86.09698	4.0
87.00806	0.5
88.04010	0.6
91.05399	3.0
93.07037	2.3
95.01305	2.1
95.04960	7.7
95.08590	1.5
97.02888	5.1
97.06531	1.6
98.06023	1.4
99.04443	1.0
101.02348	1.8
103.03909	2.1
104.05321	0.8
105.03381	100.0
105.07035	1.9
106.03697	1.1
107.08592	1.4
109.02828	0.6
109.06505	1.2
109.10155	0.7
110.06050	0.6
110.07153	1.1
111.05576	0.5
111.08086	0.6
113.02355	3.3
115.05546	0.6
117.06949	0.6
119.04908	3.4
119.08521	2.9
120.08084	1.8
121.06446	0.7
121.10088	0.9
123.04420	6.7
123.08034	1.0
124.22928	0.5
125.05976	0.9
129.10214	1.9
130.06526	2.4
130.08656	0.6
131.03413	2.6
131.08524	0.8
133.10141	0.9
136.06183	0.9
136.07596	1.5
137.05977	1.8
137.09671	0.8
141.01828	3.9
145.10156	0.6
147.04401	11.5
147.11671	1.6
149.09717	0.8
150.05542	1.1
151.03926	0.9
151.11177	0.6
154.08617	1.2
159.02917	1.1
162.05513	0.7
163.03893	0.9
165.12694	0.8
169.04961	0.6
172.09694	1.1
176.04713	0.6
176.07066	0.7
179.07014	21.7
180.03743	0.6
190.05423	1.1
193.04944	20.3
193.12244	1.1
196.14484	0.8
197.08061	5.4
201.05515	2.4
202.08647	0.6
221.07982	0.6
278.08267	0.9
291.10806	0.9
319.08185	0.7
337.09210	3.2
355.08270	0.7
355.18301	1.6
356.20670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1183
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03926	0.8
53.98747	0.4
56.05022	0.8
56.96563	0.4
57.03432	0.8
61.02910	1.4
61.56822	0.3
67.05483	1.0
69.03423	3.7
69.42677	2.9
70.06582	5.4
72.08150	1.9
73.02899	0.8
74.06065	0.7
77.03905	0.4
79.05453	0.4
81.03419	2.0
81.07039	0.4
83.05003	0.4
84.04485	0.7
84.08136	5.2
85.02898	6.4
86.06057	0.6
86.09686	3.6
87.04420	1.2
91.03961	0.4
91.05457	3.9
94.06563	4.5
95.04952	1.3
97.02874	2.8
98.97540	0.4
99.04439	0.7
105.03418	0.5
109.02851	1.1
110.07143	1.7
116.98584	0.5
117.05732	0.8
118.06527	7.0
119.04907	2.6
120.08080	1.3
122.06024	5.4
127.03899	1.9
129.10258	2.2
132.05595	0.4
134.06036	0.9
136.07591	1.9
137.05974	0.4
138.60556	0.3
145.04977	1.1
146.05988	16.3
147.04398	4.8
147.06726	1.1
148.07550	0.6
150.05475	1.7
156.07593	0.5
160.05051	36.3
161.05382	0.4
162.05522	1.9
163.03842	0.6
164.07048	7.6
165.05464	0.7
174.05490	100.0
175.05870	2.3
176.07030	1.2
182.07971	0.6
192.06500	41.5
192.07762	25.6
193.05035	0.5
193.06738	0.7
193.08249	0.5
271.26157	0.4
336.10669	0.8
354.11813	45.8
355.12155	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	354.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
56.05024	0.7
56.96548	0.5
57.03423	0.6
60.04527	0.6
65.03917	0.6
67.05505	1.3
69.03429	1.2
69.07072	1.1
70.06583	11.9
70.16186	1.6
71.04973	0.5
71.06924	0.5
72.08153	2.5
73.02958	0.3
74.06049	0.4
74.58630	0.4
79.05466	1.2
81.03409	0.9
81.07052	1.6
82.06590	0.6
83.04973	0.8
83.08608	0.4
84.04493	1.1
84.08133	4.3
85.02881	2.0
86.06055	0.5
86.09699	3.4
91.05473	1.8
93.07055	1.0
94.47051	0.3
95.04968	2.1
95.08560	0.5
97.02886	0.9
102.05539	0.6
103.05460	0.3
105.07017	0.8
106.04208	0.5
107.04958	1.7
107.08593	0.5
109.02847	0.5
109.06519	0.8
109.10134	0.6
110.07169	1.1
111.04471	0.5
117.06917	0.3
119.04942	1.3
119.08598	0.5
120.08047	2.6
121.02818	0.4
121.06460	0.6
121.10078	0.4
123.04401	0.6
129.10223	1.9
130.04953	0.4
132.05585	1.0
133.06363	0.6
134.03635	5.5
134.05981	2.4
135.04395	1.2
135.08037	0.5
136.06096	0.6
136.07536	3.1
137.05986	0.4
138.05562	0.6
139.03923	0.7
145.02844	0.9
147.04424	1.6
147.07927	0.5
160.05045	97.8
161.05397	1.1
161.09557	0.6
162.03226	0.8
162.05453	2.5
163.03885	1.8
165.05447	1.0
174.05400	0.4
175.03912	0.7
177.05458	0.5
180.06532	0.7
182.08118	1.5
192.07655	100.0
193.07994	0.9
201.05475	1.0
222.13528	0.7
223.10898	0.4
265.07065	1.5
292.18985	2.7
318.17068	0.8
331.01627	0.4
336.18112	0.8
354.12848	1.2
354.19077	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03930	2.7
55.05505	15.9
56.96544	1.7
57.03413	4.7
57.07069	8.4
58.77256	1.3
60.09126	1.5
65.03938	2.7
67.05497	98.4
69.03417	2.0
69.06720	1.4
69.07064	16.5
71.04972	1.5
71.08611	5.7
71.30468	2.8
75.04476	1.4
79.05485	58.5
81.03399	1.6
81.07047	100.0
83.04961	3.5
83.08609	9.0
85.02898	1.5
85.06537	7.2
85.10145	2.0
87.52348	1.3
91.05460	29.8
93.07030	75.4
94.07387	1.4
95.04967	8.7
95.08597	80.9
96.08931	1.5
97.06519	5.8
97.10151	5.8
99.08096	6.8
105.07016	23.8
106.07373	1.4
107.08582	43.2
109.06496	3.4
109.09448	2.7
109.10141	33.3
111.08128	2.3
113.09609	2.5
117.07009	10.9
119.08580	17.8
121.10130	41.1
123.08058	2.7
123.11688	13.7
125.09604	2.1
131.08562	27.8
133.10133	12.9
135.08087	2.2
135.11673	28.8
137.09576	2.3
137.13222	5.8
145.10094	14.9
147.11678	13.1
149.09633	2.4
149.13239	26.2
151.14830	4.0
153.12778	2.1
159.11670	14.6
161.13251	13.0
163.11215	3.7
163.14816	17.8
165.16422	1.5
169.94029	1.4
173.13231	15.8
175.14780	5.7
177.12759	2.5
177.16425	7.5
179.14183	1.6
187.14842	9.2
191.14182	1.4
201.16379	3.5
205.15880	1.5
215.17986	1.9
219.17413	2.2
219.21046	2.0
233.22633	8.8
243.21062	36.2
261.22113	81.9
262.22531	1.7
264.66199	1.5
279.23169	2.1
283.06036	1.6
335.25790	11.0
353.26660	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.02349	1.5
53.03929	2.7
55.05507	16.9
56.96539	1.7
57.03437	3.7
57.07054	5.4
65.03932	2.1
66.04108	1.4
67.00713	1.6
67.05499	99.0
69.07060	14.6
69.45136	14.7
71.04985	5.4
71.08608	4.4
71.36214	1.6
79.05482	58.2
81.07049	100.0
83.04967	3.5
83.08605	6.7
85.06528	5.9
85.10203	1.7
91.05465	29.7
93.07034	70.4
93.07626	3.9
95.04974	11.5
95.08595	87.6
97.06499	2.8
97.10130	3.8
99.08073	3.9
100.42268	1.5
105.07027	24.4
107.08588	46.6
109.06505	4.9
109.10148	34.5
111.08076	2.4
113.09608	2.6
117.07017	11.9
119.08564	23.9
121.10133	37.5
123.08065	3.5
123.11675	16.2
131.08562	29.5
133.10115	15.3
135.08063	5.5
135.11679	31.2
137.13220	8.6
143.08565	5.6
145.10107	22.2
147.11693	11.6
149.09619	4.4
149.13232	23.2
151.14784	3.8
153.12627	2.1
157.10089	7.6
159.11681	14.8
161.09581	5.6
161.13232	11.4
163.11113	3.3
163.14828	18.1
164.15405	1.6
169.10143	1.5
171.11635	3.8
173.13243	17.8
173.40877	1.5
175.11153	1.9
175.14825	5.9
177.16360	9.7
183.11713	2.4
185.13228	2.8
187.11101	1.7
187.14824	10.1
197.13266	3.6
201.16368	3.3
209.13142	2.2
213.12666	2.5
215.14305	3.0
217.19443	2.1
230.60747	1.5
233.18985	2.3
233.22672	5.2
243.21053	28.8
261.22119	79.5
277.19482	2.8
279.23187	3.9
295.20441	2.9
335.25723	6.5
341.64325	1.8
353.24857	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.05513	18.8
55.86234	3.4
56.96558	5.6
57.03435	9.5
57.07061	7.2
63.01099	3.8
65.03908	6.4
67.05503	100.0
68.05833	6.2
69.07064	22.2
71.04998	4.0
71.08617	11.8
75.65425	3.3
79.05486	57.9
80.05824	3.8
81.07053	96.3
82.07421	5.3
83.08608	12.1
85.06542	4.5
91.05472	35.0
91.91253	3.4
92.05801	4.7
93.07032	66.5
94.07388	6.2
95.04953	11.6
95.08598	64.8
97.06524	9.6
97.10216	3.8
99.08083	6.0
105.07033	34.0
106.07371	4.8
107.08578	44.8
109.06501	7.2
109.10142	30.4
117.07024	11.9
119.08590	27.1
121.06477	4.4
121.10142	31.6
123.08067	4.6
123.11664	11.2
125.09615	5.5
129.07019	6.6
131.08542	31.1
133.10092	19.1
135.08017	6.0
135.11705	29.8
137.05988	4.2
137.13278	5.6
141.29344	4.0
142.07718	6.1
143.08528	6.1
145.10103	21.1
147.11690	14.0
149.13278	18.2
157.10141	8.3
159.11681	15.3
161.09569	5.3
161.13255	11.2
163.14853	17.1
171.11662	8.0
173.13217	21.5
175.14810	10.7
177.16374	5.2
179.14287	7.9
180.14656	6.3
181.10226	4.0
181.14964	7.0
185.13237	3.8
187.14848	12.9
195.11685	4.0
197.13341	10.5
199.14886	6.2
209.98268	4.1
215.14317	5.4
221.13345	6.7
233.22670	6.5
243.21049	20.1
251.32964	3.6
261.22079	60.8
279.22751	4.1
353.24854	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03931	3.9
55.05499	17.3
57.03423	7.6
62.63290	3.3
67.05499	100.0
69.07055	15.1
70.32566	6.8
71.04952	3.0
79.05479	38.6
81.07051	99.0
83.08593	6.9
85.06517	3.8
91.05457	18.1
93.07034	49.5
95.08598	74.3
98.20813	4.7
105.07041	18.6
107.08596	31.1
109.10136	34.7
117.07009	8.3
119.08571	13.1
121.10126	29.8
123.11714	21.5
131.07701	3.5
131.08577	19.9
133.10120	12.7
135.11671	28.2
137.13278	10.3
145.10135	17.0
147.11671	10.6
149.13277	16.5
151.14798	4.0
157.54990	3.0
159.11662	12.8
161.13263	9.7
163.14807	9.4
173.13284	19.9
175.14854	4.9
187.14874	7.4
195.49568	3.3
210.10403	3.2
233.22638	2.9
243.21051	22.2
261.22134	87.5
261.33447	3.0
279.23224	5.9
292.28342	3.0
335.25815	6.7
353.26944	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	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.05508	13.5
57.03426	3.5
57.07062	5.5
57.30247	2.0
59.21041	2.2
65.03934	2.1
67.05500	85.1
69.07076	11.8
69.32339	14.5
69.32767	6.0
71.04997	2.3
79.05051	3.4
79.05486	47.1
81.07054	91.1
83.08612	6.8
85.47061	1.9
90.91196	1.8
91.05477	20.7
93.06462	3.9
93.07037	60.0
93.07625	3.6
95.04964	5.9
95.08602	64.4
97.06545	2.7
97.10159	3.5
98.81619	1.8
99.08080	1.9
105.07029	15.9
107.08585	43.1
109.10146	29.3
117.06997	10.7
119.08572	12.5
121.10140	31.4
123.11703	21.7
131.08566	20.2
133.10110	12.5
135.11681	25.6
135.85316	1.9
137.13237	7.5
145.10129	15.4
147.11725	11.5
149.13232	20.4
149.70876	1.9
151.14778	3.2
153.12758	2.8
155.97458	2.0
159.11679	14.1
161.13245	10.2
163.14792	14.9
173.13235	18.9
175.14882	5.2
177.16368	3.3
179.83125	1.8
187.14783	11.7
233.22655	5.3
243.21068	19.9
251.84468	2.0
261.22122	100.0
279.23132	4.2
335.25772	5.4
353.26825	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.05502	14.4
57.03428	2.9
57.07064	6.3
65.03947	2.5
67.05499	93.6
69.07069	11.8
69.49561	13.4
71.04987	2.2
71.08616	1.8
79.05138	1.1
79.05485	47.4
81.07048	100.0
83.04968	2.1
83.08616	9.8
85.06525	3.3
91.05462	22.2
93.07030	61.7
95.04955	3.2
95.08596	65.2
97.06503	3.5
97.10163	2.0
99.08086	3.3
105.07009	20.7
107.08578	38.1
109.06523	2.1
109.10143	32.7
111.08124	2.4
117.06993	10.9
119.08575	14.9
121.10123	34.3
123.08064	1.7
123.11691	21.5
125.09585	2.0
127.19358	1.6
131.08540	21.4
133.10101	12.2
134.30164	1.4
135.11668	28.6
137.13272	7.0
145.10107	15.9
147.11665	11.2
149.13257	22.7
151.14841	2.8
159.11665	16.6
161.13213	9.3
163.14812	10.2
165.12718	3.3
173.13254	17.5
175.14838	3.4
177.12793	1.7
177.16277	3.7
187.14790	10.6
201.16307	3.8
227.41614	1.6
230.13307	1.5
233.22539	4.1
243.21054	21.9
261.22107	99.3
279.23138	4.1
335.25772	6.0
353.26862	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01862	1.9
55.05513	16.1
57.03428	4.8
57.07069	4.6
57.13962	1.7
63.02385	1.5
65.03929	3.2
67.05499	97.0
69.07055	14.7
69.40500	6.9
69.40923	9.0
71.04974	3.4
79.05483	53.9
81.07048	100.0
83.08611	6.5
85.06553	1.8
91.05470	30.1
93.07034	67.3
95.04938	4.3
95.08597	74.7
96.08934	1.7
97.06566	2.5
97.10124	2.1
98.20772	3.7
105.07019	18.7
107.08582	45.6
109.10145	36.9
111.08051	2.1
117.07006	9.8
119.08575	17.2
121.10132	37.3
123.11696	17.9
124.24490	1.4
131.08559	24.4
133.10101	17.3
134.03610	1.7
135.11674	27.2
137.09634	2.3
137.13249	8.8
145.10118	18.3
147.11649	13.1
149.13205	18.6
153.12744	2.4
159.11694	17.4
161.13272	9.5
163.14796	12.9
173.13268	17.5
175.14865	2.1
177.12717	1.7
177.16299	3.8
187.14818	7.8
191.14368	1.6
201.16356	2.1
205.15857	2.0
215.17827	1.7
233.22690	4.9
243.21078	23.3
261.22113	99.0
279.23181	6.5
314.55698	1.6
335.25806	3.5
353.26791	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03935	2.2
55.01842	1.0
55.05507	14.1
57.03436	6.6
57.07063	3.3
65.03927	3.4
67.05501	96.2
69.06777	1.2
69.07068	11.7
69.92870	5.4
71.04965	1.6
75.04456	1.1
79.05489	41.9
81.07053	100.0
83.04972	1.4
83.08615	9.2
85.06517	2.7
91.04959	1.8
91.05473	21.2
93.07037	51.0
95.04949	4.1
95.08601	73.2
97.06507	2.7
97.10149	4.2
99.08097	3.0
105.07028	15.4
107.08588	33.0
109.06521	1.3
109.10147	36.6
111.08069	1.4
111.11745	1.2
113.09626	1.7
117.07018	8.8
119.08564	13.8
121.10134	28.1
123.11710	21.7
125.09597	1.6
131.08566	19.2
133.10117	13.6
135.11685	22.1
137.09579	1.5
137.13223	8.2
139.11180	1.4
145.10124	11.2
147.11674	12.9
149.09651	1.6
149.13237	18.3
151.11183	1.2
151.14784	2.8
152.50490	1.2
153.12662	1.9
159.11682	11.8
161.13254	7.5
163.11124	1.8
163.14801	10.7
165.12737	1.7
173.13245	14.2
175.14818	3.8
177.16374	4.2
179.14357	2.0
187.14804	8.8
191.14284	1.3
201.16371	3.1
215.17834	1.0
219.17378	1.6
233.22612	3.5
243.21068	21.0
261.22125	85.8
262.22504	2.9
279.23175	7.1
289.12985	0.9
335.25876	9.1
353.26874	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05500	11.4
57.03436	4.0
57.07066	2.9
60.36890	2.3
60.87366	2.4
67.05499	88.1
69.07060	10.7
70.12537	8.7
79.05484	39.5
81.07049	97.6
83.08627	4.8
85.06549	3.7
91.05466	20.3
91.44183	2.8
93.07034	51.8
95.04954	3.3
95.08597	81.0
105.07015	15.2
107.08587	40.1
109.10143	40.4
117.07013	8.3
119.08579	11.9
121.10132	24.2
121.61710	2.9
123.11689	24.6
125.09596	2.8
130.20810	3.0
131.08543	17.5
133.10149	10.2
135.11674	22.1
137.13283	8.8
144.41083	3.0
145.10100	16.5
147.11700	9.0
147.97900	3.2
149.13246	22.1
151.14848	3.6
159.11696	13.8
161.13263	9.6
163.14742	14.3
173.13260	18.8
175.14810	3.8
177.16316	2.9
187.14836	6.5
201.16489	3.3
233.22652	5.1
243.21098	26.6
261.22122	100.0
262.22562	6.4
279.23135	7.7
318.50500	2.7
335.25735	13.0
353.26923	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05503	17.9
57.03426	5.4
57.07059	5.6
60.02068	2.6
60.45666	2.1
61.02929	3.4
65.03930	4.6
67.05501	98.4
69.07060	14.0
69.36516	23.2
71.04978	3.9
76.03964	2.3
79.05490	38.0
79.66701	2.6
81.03410	2.9
81.07050	100.0
83.08608	5.8
85.06522	3.8
91.05472	22.9
93.07037	53.8
95.04976	4.0
95.08601	72.8
97.02860	2.8
97.06505	3.0
97.10155	3.8
99.08060	3.4
105.07014	18.4
107.08578	37.8
109.10154	36.5
117.07021	7.7
119.08577	13.6
121.10139	27.0
123.08132	3.5
123.11715	21.5
129.07018	3.3
131.08537	18.7
133.10141	13.0
135.11693	26.1
137.13254	8.2
145.10117	15.7
147.11656	5.8
149.13217	20.3
153.12648	2.9
155.08537	3.5
157.10179	3.1
159.11644	13.0
161.13252	6.5
163.14795	9.8
173.13242	13.8
177.16394	4.2
184.08897	2.8
187.14804	8.3
197.51012	2.2
202.25389	2.4
229.07365	2.4
233.22542	3.0
243.21065	24.3
261.22119	82.0
279.23029	7.9
335.25763	10.9
348.95581	3.4
353.27103	24.3
354.15576	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	353.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20088	2.3
53.03939	3.1
55.05511	13.7
56.96555	7.2
57.03423	4.9
58.60596	2.5
59.05007	2.7
64.71875	2.4
65.50389	2.7
67.05499	31.0
69.07064	9.7
70.25350	7.1
71.04984	27.5
79.05499	26.2
81.03442	4.1
81.07047	38.9
83.04957	5.2
83.08613	6.1
85.06544	6.0
87.97347	2.5
89.93594	2.7
91.05460	28.8
93.07033	42.8
95.04964	50.6
95.08600	36.6
97.06538	9.6
105.07034	41.9
106.01971	2.8
107.08598	48.1
109.06524	16.4
109.10155	24.7
111.08068	5.3
117.07017	15.5
119.08565	53.0
121.06512	5.7
121.10135	37.0
123.08078	10.1
123.11691	18.3
128.06204	6.0
129.07024	6.8
131.08559	33.3
133.10139	45.9
135.08049	27.0
135.11696	31.0
137.09631	8.3
141.07059	4.9
142.07774	12.8
143.08556	27.0
145.06534	2.7
145.10110	36.7
147.08058	11.9
147.11658	15.0
149.06044	4.1
149.09589	14.8
149.13261	6.9
151.11203	4.9
155.08542	11.4
156.09335	8.2
157.10114	37.4
158.10808	4.0
159.08067	9.9
159.11681	26.7
161.09604	51.3
161.13258	11.8
163.07611	3.7
163.11159	6.6
163.14848	4.8
165.06990	5.1
167.08577	6.8
168.09409	3.2
169.10115	17.5
170.10939	6.7
171.11664	28.8
173.09679	9.7
173.13213	18.4
175.11189	9.3
175.14871	6.4
181.10219	6.5
182.10902	6.2
183.11708	12.1
185.13315	14.1
187.11249	10.2
187.14847	11.6
189.12711	5.9
193.10094	6.7
195.11691	14.5
197.13257	22.8
199.11226	8.0
199.14870	6.7
201.12796	9.5
203.14320	6.7
206.10883	4.3
207.11729	7.1
209.13287	13.8
211.14847	8.6
213.12759	20.5
213.16367	3.6
215.14304	17.9
221.13303	9.6
223.14882	8.7
225.16354	6.2
227.14388	5.7
231.13776	4.2
235.14964	5.2
237.16365	6.3
239.14326	6.5
242.63742	2.8
243.21054	4.1
251.18050	6.0
253.19627	4.0
255.17332	4.7
261.22144	9.8
265.19595	9.9
271.20862	3.9
277.19562	8.3
279.09219	2.7
279.17429	4.3
283.20554	7.7
291.21063	4.6
293.22708	7.4
295.20578	21.9
297.18411	4.4
309.22043	4.9
311.23651	7.8
317.22635	3.8
335.23682	28.8
353.24792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01863	3.3
55.05507	22.5
56.05019	3.6
56.05825	2.3
56.96549	3.2
57.03439	4.5
57.07077	2.1
67.05495	11.2
69.03430	9.8
69.07057	6.5
70.06595	26.2
71.04982	7.8
72.08160	10.1
74.06087	2.7
79.05488	5.1
80.05047	2.4
81.03411	17.3
81.07058	25.5
82.06605	2.1
83.04983	10.7
83.08612	29.3
84.04500	18.5
84.08139	21.6
85.02896	8.0
85.06538	6.2
86.09695	17.4
91.05501	10.4
93.07027	5.7
95.04990	9.3
95.08615	14.3
97.02892	3.7
99.08096	2.7
101.09673	6.4
102.05535	3.3
105.03416	3.3
105.07037	6.5
106.99672	2.4
107.04937	6.3
107.08549	4.1
109.02877	41.0
109.06523	7.0
109.10167	3.4
110.07161	4.0
111.04430	11.2
117.07038	1.9
119.01913	4.2
119.04956	9.8
119.08569	3.9
120.08097	7.5
121.02874	3.0
121.10116	4.0
123.04400	6.6
126.05453	2.3
129.05446	3.3
129.10225	10.4
130.05005	3.9
132.95665	2.0
133.02867	4.6
133.10052	2.4
134.03633	18.1
134.05965	4.9
135.11700	2.0
136.06209	4.9
136.07570	21.0
137.05974	7.3
137.13283	3.3
139.03836	3.1
143.08461	2.0
147.04428	13.6
148.06030	3.1
149.09607	2.2
149.13301	2.5
151.03944	2.5
155.14322	16.7
159.09183	3.7
160.05066	100.0
161.02380	3.7
162.05511	8.2
163.11043	2.3
165.05490	5.7
167.01874	2.7
173.15372	8.8
175.08696	8.3
177.05475	3.4
177.07571	2.1
179.03372	10.3
180.06660	1.9
182.08208	3.9
185.02948	65.0
186.03094	6.4
192.07669	91.2
201.10480	2.3
203.04013	23.3
207.08380	13.1
208.04599	2.4
209.02782	2.2
219.06631	2.4
221.12215	3.6
223.14592	2.0
224.11211	4.1
227.04028	8.0
235.04552	5.6
237.05942	1.9
245.05113	5.2
247.04097	2.4
251.03987	3.9
253.05562	5.9
254.05617	2.8
275.04080	5.9
290.13794	4.2
293.05066	8.1
309.14520	3.6
311.06131	2.4
313.75531	1.9
335.06213	10.7
335.12411	6.4
353.13208	3.8
353.16803	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	353.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	1.2
53.03951	8.2
53.04763	1.3
54.32862	1.3
55.01870	4.9
55.05509	16.6
57.03439	3.5
59.04988	1.5
62.02594	1.5
65.03953	1.9
67.01856	2.1
67.05502	14.9
69.03423	21.0
69.07062	16.4
69.37820	9.0
69.38246	3.9
70.06593	1.5
71.04993	11.3
72.08151	2.3
79.05487	24.7
81.03413	61.9
81.07050	49.9
82.07407	1.6
83.04976	23.2
83.08612	3.0
85.02910	3.6
85.06530	3.7
86.09663	1.5
87.00805	1.3
89.02364	1.3
91.05463	18.1
93.07037	49.5
95.04958	9.6
95.08599	14.7
95.52572	1.1
97.02885	10.0
97.06522	10.8
97.10129	1.8
98.97627	1.6
99.04450	13.0
103.05467	1.2
105.07024	29.5
107.04970	6.0
107.08589	38.6
107.78777	1.0
109.02871	49.5
109.06508	12.9
109.10133	11.8
110.03667	11.3
111.04429	15.6
111.08076	7.6
111.11693	1.5
113.05962	1.8
115.05428	1.5
117.07040	4.9
119.08570	11.3
121.06498	15.7
121.10142	34.1
123.04412	7.2
123.08102	4.8
124.05144	1.6
125.02340	13.5
125.05991	4.5
125.09727	1.3
126.03146	3.4
127.03916	27.1
127.04803	2.3
127.07565	3.2
129.06990	1.7
130.06697	1.2
130.07790	1.4
131.08583	5.4
133.06511	3.2
133.10127	6.3
135.08061	10.2
135.11661	9.5
137.05983	3.6
137.09604	9.0
139.07561	2.5
139.11185	4.6
143.08575	3.2
145.06430	1.9
145.10112	16.7
147.08073	3.1
147.11688	5.4
149.05972	4.2
149.09607	11.9
151.07552	3.7
155.07040	2.2
155.10648	1.6
157.10164	1.4
159.08040	2.2
159.11719	1.8
161.05998	3.9
161.09654	5.1
163.07579	4.3
163.11176	42.6
165.09140	4.3
167.10655	11.6
169.08583	9.4
173.09642	5.2
175.07512	2.2
177.05713	1.3
179.10593	3.3
181.12210	7.8
182.68181	1.4
183.08131	1.3
185.11693	2.0
187.11165	2.1
189.09149	3.2
191.07014	2.1
191.10645	22.6
191.14334	1.3
201.09230	1.6
205.06538	1.4
207.10220	3.3
209.11668	8.6
225.11266	1.9
227.12785	5.9
231.13861	1.5
261.14868	1.4
271.13348	2.3
289.14423	2.0
293.13916	4.0
310.99118	1.2
317.13846	2.6
335.14838	7.0
353.16010	100.0
354.16293	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44913	2.2
52.60194	2.1
53.03934	11.2
55.01864	8.4
55.05510	15.2
56.63152	1.7
56.96555	2.2
57.03415	5.3
57.21772	1.7
65.03918	3.2
67.05505	19.9
69.03425	20.5
69.07063	19.7
69.27370	1.9
70.06580	3.7
70.09666	5.9
70.10075	3.9
71.04983	11.9
72.03733	1.8
72.08145	3.9
79.05485	29.3
81.03412	53.9
81.07052	57.6
83.04978	17.4
83.08638	3.0
84.08139	2.5
85.02895	3.0
85.06522	6.8
86.09720	2.6
91.05473	18.8
93.07035	50.3
94.07312	1.8
95.04965	17.5
95.08604	19.4
97.02911	9.6
97.06506	19.2
97.10184	2.3
98.03166	1.9
99.04442	14.7
100.82677	1.8
101.05986	2.1
103.05453	2.2
105.07021	32.3
107.04963	8.6
107.08595	36.8
109.02872	43.2
109.06522	12.5
109.10163	15.8
110.03675	9.8
111.04420	15.0
111.08099	9.4
115.05408	2.1
117.07015	6.0
119.04884	2.2
119.08588	14.7
121.02901	2.5
121.06522	15.1
121.10122	34.9
123.04443	7.7
123.08054	8.6
123.11705	3.6
125.02357	13.5
125.05981	3.7
125.09643	3.8
126.03094	2.5
127.03918	27.9
127.07564	4.7
129.06996	3.0
130.07828	2.5
131.04921	2.9
131.08563	6.7
133.06494	4.2
133.10123	11.9
135.08054	11.9
135.11667	10.4
137.05959	3.2
137.09613	14.1
139.07533	2.0
139.11180	4.3
143.06961	2.9
143.08517	4.4
145.06471	2.1
145.10098	23.8
147.08043	4.5
147.11664	7.7
149.05928	3.2
149.09613	13.4
151.07498	4.0
151.11169	4.7
153.09044	2.5
155.08601	2.9
157.10094	3.7
159.11700	2.9
161.05995	5.2
161.09622	6.8
161.13286	2.3
163.03847	2.0
163.07581	4.0
163.11162	41.9
165.05493	1.9
165.06944	1.9
165.09108	5.7
167.07037	13.8
167.10689	14.4
169.08633	7.5
171.08040	2.2
173.06010	3.4
173.09622	6.3
173.13326	2.5
175.07504	3.4
179.10698	3.8
181.12190	11.0
184.05206	2.3
189.09105	3.2
191.07014	14.6
191.10661	31.2
193.12195	2.7
196.00301	1.8
199.07552	7.0
199.29344	1.9
201.09143	2.5
202.07655	1.9
203.10591	2.3
207.10059	2.2
209.11714	11.6
215.08699	2.2
218.07243	3.9
227.12759	7.0
229.12189	2.6
233.09471	4.5
234.10539	2.7
250.09889	2.5
261.09058	7.4
263.06870	2.7
271.13321	2.5
277.08603	2.6
289.08603	6.0
291.15939	3.2
293.14056	4.5
311.05511	2.9
317.20728	3.3
321.11200	10.0
322.11398	2.1
325.06998	4.3
335.14874	6.0
348.10397	3.8
353.16278	100.0
354.16318	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	353.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10068	1.4
53.03946	8.7
55.01873	4.9
55.05503	13.3
55.46157	1.3
56.96553	2.1
57.03434	3.8
57.07070	2.4
59.23412	1.3
63.22704	1.3
63.38111	1.3
65.03932	2.5
67.01884	1.4
67.05501	18.2
69.03423	17.2
69.07066	21.8
70.06578	1.8
71.04990	10.3
71.60093	2.3
72.08156	2.1
79.05492	25.8
81.03413	58.0
81.07050	55.2
83.04973	15.0
83.08612	3.6
83.98872	1.6
84.08114	2.3
85.02913	2.1
85.06542	5.3
85.13857	1.5
86.09726	1.3
90.37597	1.2
91.05473	17.2
93.07042	44.5
93.07626	2.5
95.04965	11.1
95.08605	17.3
97.02889	11.8
97.06520	16.9
97.10146	2.3
99.04447	12.0
99.08086	1.7
100.11305	1.3
101.52914	1.3
103.05479	1.6
105.07030	25.3
107.04977	6.3
107.08588	35.1
107.09280	2.5
109.02870	45.8
109.06528	11.9
109.10157	14.1
110.03694	10.0
111.04447	14.2
111.08087	5.4
113.06004	1.5
115.05490	2.0
115.90868	1.5
117.06992	7.3
119.04952	1.4
119.08574	13.5
120.08195	1.9
121.02866	1.4
121.06506	12.0
121.10136	36.0
123.04437	4.4
123.08096	4.8
123.11695	2.8
124.05260	2.3
125.02343	10.8
125.06019	3.9
125.09614	2.4
126.03156	3.4
127.03922	25.6
127.04802	2.4
127.07582	3.9
128.06250	1.9
130.07816	2.2
131.04910	1.9
131.08586	4.1
133.10162	6.0
135.08057	9.3
135.11673	8.8
137.05989	3.9
137.09601	14.6
139.11182	4.0
143.07028	1.6
143.08630	3.8
145.06480	2.9
145.10112	15.0
147.04398	2.7
147.08078	2.5
147.11725	5.4
149.06000	6.1
149.09593	9.7
151.07533	3.4
151.11243	1.6
153.01924	2.0
153.09161	1.7
155.08549	3.6
157.10136	2.3
159.08075	3.7
159.11693	1.8
160.48476	1.4
161.06056	4.6
161.09581	6.7
163.07588	3.9
163.11165	43.1
163.29353	1.6
165.09164	4.4
167.07057	2.7
167.10654	10.2
169.08614	9.0
171.08064	2.0
173.06079	1.5
173.09660	5.9
175.07484	1.4
179.10730	4.0
181.12189	8.3
183.08028	1.8
185.11720	1.5
185.13245	1.4
187.11227	2.1
189.09106	2.7
191.07063	4.0
191.10661	21.9
199.07571	1.4
200.26944	1.4
203.10612	2.0
207.10236	2.3
209.11778	9.0
213.05299	1.8
227.12953	5.4
253.12213	1.7
257.08243	2.3
271.13266	1.8
279.10138	1.6
289.14392	2.2
291.16055	1.9
293.14011	4.3
317.14117	2.5
325.14581	3.4
335.15094	4.4
353.16071	100.0
354.16370	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	353.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.5
55.01863	7.3
55.05510	16.0
57.03429	2.8
65.03926	2.7
66.92410	1.4
67.05500	18.0
69.03423	21.2
69.07063	17.1
69.63150	6.1
69.63551	3.7
70.06560	3.8
71.04989	11.7
72.08135	1.9
78.04720	1.7
79.05489	40.9
80.05823	1.4
81.03415	65.1
81.07056	52.8
83.04970	15.3
83.08622	3.7
84.08149	2.5
85.02898	5.7
85.06536	2.7
86.28791	1.6
91.05467	15.9
93.07039	61.3
95.04970	14.0
95.08595	18.2
97.02882	13.2
97.06540	11.2
98.21531	1.8
99.04445	14.6
101.06046	2.0
103.05464	5.2
104.43021	1.4
105.07027	30.8
106.04169	1.7
107.04949	18.2
107.08593	41.5
109.02876	60.1
109.06485	11.1
109.10165	14.7
109.88876	1.5
110.03664	12.1
111.04433	18.0
111.08102	9.5
113.06048	2.8
115.05457	2.1
117.06992	7.4
118.04131	2.6
119.08563	13.3
120.08101	2.0
121.02823	3.0
121.06509	15.5
121.10138	34.1
123.04442	10.6
123.08070	6.2
123.11725	2.0
124.05206	5.6
125.02379	14.2
125.05987	7.0
126.03168	2.4
127.03922	32.5
127.07571	4.3
128.06206	3.8
128.40649	1.5
129.05472	1.7
129.06981	1.7
129.10237	2.5
131.04893	10.5
131.08539	7.6
133.06483	5.8
133.10127	6.5
135.04405	2.6
135.08073	10.0
135.11694	12.0
136.05235	2.9
136.06174	21.3
137.05893	3.6
137.09625	10.0
139.07541	2.1
139.11172	4.3
142.03383	1.5
143.08557	2.4
145.06459	3.1
145.10120	22.5
147.04399	4.2
147.08044	4.8
147.11664	2.9
149.05980	6.9
149.09586	13.2
151.07553	5.0
151.11124	2.5
159.08044	3.6
159.11749	2.5
161.05971	9.2
161.09604	6.0
163.07539	5.7
163.11172	47.6
165.09145	6.2
165.12788	1.6
167.07033	42.1
167.08398	2.9
167.10634	12.8
169.08652	10.2
171.08031	4.0
171.11661	1.7
173.09619	6.1
175.07549	2.9
175.11273	2.4
176.04703	5.7
179.10660	3.2
181.06464	1.8
181.12236	9.0
184.05183	2.6
189.06969	3.4
189.09079	4.5
190.07735	4.8
191.07016	47.1
191.08780	3.4
191.10658	27.9
192.11018	1.7
197.09590	1.8
199.07524	10.1
201.09088	2.9
202.07750	2.4
203.08557	5.1
209.11729	13.8
215.08611	8.0
218.07205	8.1
219.07970	4.3
220.08777	2.0
227.10779	2.0
227.12790	5.9
229.06668	3.4
229.12231	1.9
231.08029	6.0
232.08778	2.8
233.09709	12.1
233.56544	1.9
234.98846	1.8
235.07509	4.1
243.08075	4.8
246.06830	6.8
247.07555	3.7
247.70216	2.0
250.09854	2.9
257.06158	2.5
259.07440	3.1
260.08310	4.7
261.09143	18.4
262.09607	2.8
263.06973	4.4
271.13226	3.6
274.06229	5.2
275.06979	2.9
277.08469	5.0
278.09415	5.9
288.07852	2.6
289.08612	23.5
289.14197	2.5
290.06110	2.0
290.09302	6.7
291.10309	2.6
291.15796	2.0
293.11050	8.3
293.14056	5.4
305.08231	2.2
306.08838	6.9
307.09802	3.0
309.17059	2.5
317.13776	3.6
321.07690	2.0
321.11182	36.6
322.11768	5.1
323.09064	3.2
325.07031	3.7
325.14169	2.9
335.14944	7.1
338.11209	2.0
353.06482	4.1
353.16379	100.0
354.01874	1.9
354.06537	1.7
354.16351	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	353.1592
Annotation	Lambicin
Peak:m/z	Relative Intensity
51.02405	1.1
53.03940	9.7
55.01869	5.7
55.05509	9.8
56.96553	2.1
57.03421	3.2
57.07054	1.9
60.65230	0.9
65.03938	2.4
67.01859	2.1
67.05494	14.3
69.03421	16.7
69.07064	14.0
69.61635	7.5
70.06573	3.4
71.01344	1.2
71.04987	10.0
72.08147	1.5
73.85953	1.1
79.05489	20.9
81.03409	51.2
81.06571	2.4
81.07047	44.5
82.04210	1.6
83.04967	12.7
83.08620	1.5
84.04497	2.0
84.08120	3.5
85.02876	1.7
85.06526	4.3
86.09698	2.9
91.05460	10.4
93.07031	48.3
95.04955	10.6
95.08591	14.3
97.02896	7.4
97.06535	9.1
99.04451	13.2
99.08076	1.7
103.05440	2.0
105.07018	22.4
107.04954	4.3
107.08584	32.2
109.02112	2.3
109.02866	45.2
109.06503	10.4
109.10132	9.8
110.03666	7.7
111.04448	13.1
111.08058	6.3
111.11791	1.5
113.05998	2.1
117.06999	4.6
119.08585	11.8
120.08097	3.7
121.06484	11.5
121.08428	3.0
121.10133	30.3
123.04408	5.2
123.08047	4.6
123.11667	1.3
124.05132	1.6
125.02316	9.4
125.02962	0.8
125.05997	3.4
125.09600	1.2
126.03119	3.0
126.27899	0.9
127.03902	25.7
127.07542	3.8
130.07762	1.1
131.08582	3.8
133.06493	1.9
133.10112	4.3
135.04356	1.3
135.08028	6.9
135.11673	9.5
137.05989	3.4
137.09590	8.4
139.07571	1.8
139.11189	3.0
143.08537	2.7
145.06549	2.2
145.10106	16.5
147.08002	2.9
147.11670	4.6
149.05988	4.5
149.09593	11.8
151.03900	2.4
151.07549	4.0
151.11121	1.1
155.08592	1.3
155.10719	1.3
157.08839	1.1
157.10089	2.3
159.08051	2.7
161.05986	3.0
161.09641	4.1
163.03909	1.1
163.07547	4.5
163.11153	39.1
165.09065	4.8
167.07011	1.6
167.10664	12.3
169.08571	7.4
173.09610	5.3
173.13229	1.2
173.78297	1.2
175.07571	2.0
175.11130	1.4
177.05560	1.1
179.10684	2.1
181.12227	7.3
189.07529	1.4
189.09122	4.2
191.07118	2.6
191.10641	24.9
192.10945	1.0
193.12163	1.4
199.11278	1.1
201.09062	1.1
207.10139	1.7
209.11673	7.4
225.11218	1.2
227.02364	2.2
227.12712	4.9
231.13760	1.3
237.00493	1.2
262.11768	1.2
271.13266	2.3
289.14325	3.7
291.15619	1.8
293.13812	4.1
295.11780	1.4
309.17026	1.9
317.13873	2.1
335.14954	9.4
335.22266	1.2
353.15948	100.0
354.16150	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	353.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70811	2.3
55.01877	3.0
55.05499	4.8
56.05022	4.7
56.96561	4.8
57.03429	5.6
60.04527	14.6
61.02918	3.7
67.05492	4.1
69.03430	18.3
69.07047	3.9
69.70219	15.8
70.06583	44.8
71.04954	4.5
72.08154	15.1
74.06081	4.2
77.03906	2.9
79.05481	3.9
81.03406	7.9
81.07037	5.6
83.04966	8.1
84.04500	14.5
84.08142	28.7
84.74950	2.6
85.02415	5.0
85.02899	57.9
86.09251	4.0
86.09696	27.7
87.04449	3.0
91.05476	9.4
95.04946	6.1
97.02898	14.0
98.97580	3.2
102.05525	6.4
105.03386	6.2
107.04940	4.0
109.02850	8.6
110.07178	13.6
110.54115	2.8
111.04428	11.1
112.08761	3.7
118.06516	8.1
119.04938	8.1
120.08107	16.3
121.02863	3.7
121.08430	8.1
123.04430	10.9
127.03899	14.3
127.08666	2.9
128.04977	10.5
129.05467	4.4
129.10229	13.0
129.56607	2.5
130.04961	2.8
130.06522	19.8
132.04442	93.1
132.08069	3.0
133.02824	6.4
133.05217	8.5
134.03664	3.7
134.06001	4.1
135.04431	3.8
136.07562	5.7
145.04996	5.2
145.07594	41.5
146.06000	100.0
147.04422	13.8
149.05943	4.6
151.03842	3.7
155.05988	7.7
156.06804	7.5
158.05978	7.9
159.07700	3.9
159.11282	5.1
161.02353	10.2
161.06007	3.7
162.05554	5.2
163.03947	3.5
164.07040	3.2
169.07576	6.9
170.06096	3.7
173.07098	78.4
174.05492	34.1
174.07790	3.6
177.05487	12.7
179.03447	22.4
182.08209	3.6
184.07561	3.6
185.07079	4.6
187.08688	5.1
188.07069	8.5
191.03362	3.3
191.08138	90.0
195.08765	3.2
215.08142	5.9
217.04996	14.9
233.07230	3.8
233.09116	19.0
243.73058	2.8
265.07004	2.8
276.08636	6.3
317.11356	9.9
324.29645	2.9
335.12436	12.0
353.08755	5.7
353.13400	8.2
353.17212	4.0
353.21033	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	352.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05496	2.5
56.05026	1.5
56.96549	0.8
57.07066	0.9
58.99580	0.7
60.04510	2.9
65.03927	0.9
67.05505	4.7
69.03415	1.5
69.07058	1.6
70.02927	0.6
70.06589	8.4
71.04955	0.8
71.60526	0.8
72.08152	13.9
74.06059	1.3
79.05466	2.2
81.03397	1.7
81.07034	1.4
82.06564	0.7
83.04961	0.9
83.06083	0.9
84.04477	1.9
84.08141	19.6
84.58653	0.7
85.02882	1.5
85.06537	12.3
86.06047	0.9
86.09705	19.9
87.02700	0.7
87.05571	1.9
87.10020	1.2
91.05477	11.7
92.05807	0.6
93.07043	3.5
95.04961	1.5
95.06063	0.7
95.08601	2.5
96.62445	0.5
97.02894	1.3
97.06528	0.8
98.05984	0.6
99.02670	0.7
100.07613	0.6
101.04237	25.8
102.09180	3.9
104.98313	1.9
105.07021	1.5
107.04945	1.4
107.08562	0.7
109.02911	0.7
109.06512	0.7
110.06049	0.9
110.07162	4.6
111.04425	0.6
112.08700	0.7
115.08727	1.2
116.07075	1.1
118.06538	0.6
119.04938	10.9
120.08099	12.0
121.06499	2.2
124.03972	1.7
124.07594	0.8
124.08707	0.9
125.04226	1.2
127.03922	1.8
127.05780	2.2
127.08615	0.7
127.72163	0.6
128.07051	1.5
129.10239	2.7
130.06508	0.9
131.06978	0.8
132.10196	6.6
136.07571	100.0
137.05984	1.0
137.07895	1.4
140.07018	0.7
143.08209	0.8
143.11795	0.8
144.08080	1.6
145.04973	0.7
145.10170	1.1
146.05966	1.8
147.04399	2.7
147.08115	0.9
148.04773	0.7
148.07556	1.4
148.09669	10.6
159.03008	1.8
159.11284	0.9
162.05486	1.2
162.09105	1.1
164.07001	1.1
166.08652	2.5
175.04077	0.7
177.04041	16.1
177.05420	1.2
179.03415	0.8
182.08107	1.1
184.07413	0.7
187.02467	3.6
187.10789	2.2
189.12390	0.9
191.07076	0.7
193.09724	49.9
194.10097	1.2
195.08827	0.7
204.05110	1.6
205.03502	4.6
207.11269	7.4
221.09186	9.0
224.34879	0.7
235.10854	1.1
253.11873	1.4
264.15622	0.7
270.09637	0.6
284.06659	0.7
286.56775	0.7
288.10873	11.0
289.11356	0.8
334.11490	3.4
335.12112	0.8
352.05920	0.7
352.12463	16.6
352.17331	1.1
353.12537	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	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.3
55.01859	12.7
55.05491	9.1
55.90239	2.3
56.05038	3.7
56.96560	2.4
57.03430	7.5
60.04517	4.8
61.02922	8.0
67.05479	9.5
67.58939	2.3
68.99777	3.3
69.03073	2.9
69.03429	35.9
69.07064	13.8
69.61947	2.3
69.88593	15.9
70.06239	3.2
70.06592	29.1
71.04975	7.0
72.08155	12.0
73.02905	9.9
74.06054	3.2
74.45644	2.8
77.00898	3.0
78.16804	2.3
79.05482	11.0
81.03411	30.5
81.07047	16.9
82.06563	2.9
83.04986	7.0
83.08608	2.5
84.04496	6.5
84.08133	16.6
85.02899	100.0
85.06544	8.2
86.09704	16.8
87.00819	37.6
91.05473	16.3
93.07037	15.0
95.04958	7.2
95.08610	8.3
96.08100	2.9
97.02884	43.8
97.06514	14.5
99.04443	14.6
101.07165	3.0
103.03928	3.8
105.01856	58.4
105.06995	12.1
107.04975	4.0
107.08582	8.1
108.04465	5.2
109.02877	30.3
109.06499	6.4
109.10144	3.0
110.07141	4.0
111.04439	5.5
111.08063	16.1
117.01867	3.0
117.07014	8.7
119.04963	3.1
119.08566	10.5
120.08073	22.8
121.06538	4.1
121.10138	7.6
123.04427	4.0
124.03960	8.0
126.05452	3.9
127.03907	59.8
129.01814	6.2
129.06924	3.0
129.10251	7.3
131.08554	8.9
133.02902	3.0
133.06485	3.7
133.10110	3.9
135.08041	8.0
136.07559	4.1
137.05917	3.8
137.09604	4.3
138.05553	5.6
139.05800	4.3
139.07463	3.1
140.07103	2.6
142.93867	3.8
145.04958	31.8
145.10133	5.4
147.04919	2.5
147.07977	5.2
149.09572	7.9
152.07057	3.6
153.07426	3.7
153.09079	14.1
159.02863	18.6
159.08066	5.1
159.11296	2.5
160.07561	9.5
161.06613	2.9
164.07033	6.3
165.09120	10.4
173.09605	4.9
177.09053	17.6
180.06534	12.5
180.10185	3.4
181.06885	8.2
183.08510	2.8
188.10655	4.7
189.03915	8.3
195.10150	33.0
198.07574	7.0
199.07986	10.2
201.09718	7.3
208.06052	10.4
209.10159	6.3
213.03969	5.3
213.14767	5.1
216.10233	20.6
221.12924	4.2
227.11293	5.1
231.04938	18.0
231.12340	3.3
249.06020	5.1
249.13356	23.0
260.12857	9.3
265.12741	5.4
267.14377	19.4
281.10043	4.5
290.15918	3.3
292.15561	14.1
299.10934	3.2
320.14777	3.3
329.09042	21.9
334.17017	5.6
337.15170	23.8
347.10071	22.6
348.09903	3.1
352.17587	62.7
353.15765	2.8
365.10898	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	352.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	3.7
56.96547	9.1
57.03419	4.3
58.06598	4.6
60.04506	6.1
61.02911	3.9
69.03416	8.8
69.07055	4.6
70.06578	11.2
70.74809	9.1
72.08143	8.1
72.93785	3.2
73.02900	2.9
73.47310	2.7
74.06076	5.0
81.03388	3.2
81.07041	3.4
84.04492	4.7
84.08128	11.1
85.02911	14.7
86.09689	8.1
97.02888	8.6
98.05447	3.1
98.97559	8.0
110.07179	7.4
116.98600	8.2
120.04415	5.0
120.08070	11.2
127.03935	4.2
128.98645	4.1
129.10266	4.5
134.99704	7.4
136.06271	3.3
136.07555	9.3
136.33920	3.1
137.07872	3.2
144.13861	9.8
146.05989	6.5
146.97473	3.2
147.04410	8.1
158.99718	3.8
162.05487	89.2
173.02940	3.7
177.00648	4.6
184.07555	5.1
190.04977	100.0
190.14389	9.6
192.06433	3.0
216.99026	6.7
220.11903	5.2
230.85727	3.5
237.02881	4.5
238.57971	3.8
244.09688	3.3
246.08757	3.9
262.10510	4.1
267.03162	3.9
310.08871	11.2
318.09695	3.7
334.68893	3.3
352.10193	8.2
353.08646	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	352.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05500	1.8
56.05022	1.6
57.03423	0.6
57.07065	2.7
58.99580	2.4
60.04517	0.8
62.99079	1.0
64.48679	0.4
67.05167	0.8
67.05502	10.3
69.03458	0.6
69.07059	1.0
70.06590	3.5
71.04980	1.2
71.31548	0.5
71.58957	0.5
72.08141	1.9
73.01130	0.9
73.05294	0.6
78.96767	0.5
79.05492	3.5
81.03390	0.6
81.07042	3.8
82.06581	0.9
83.04980	1.0
84.04498	0.9
84.08136	45.7
85.01096	0.9
85.02880	0.5
85.06535	38.5
86.06075	0.8
86.09701	2.9
87.02677	1.6
91.05476	3.9
93.07034	6.3
94.09467	0.4
94.53563	0.4
95.04963	1.5
95.08591	5.1
97.01080	0.8
99.02673	1.3
100.07613	2.6
101.04233	100.0
102.04578	1.2
102.09171	12.6
102.96767	1.0
103.05457	0.4
104.98312	2.4
105.03407	0.5
105.07032	0.7
109.06495	0.6
110.07153	1.1
112.07576	0.4
113.04227	0.6
113.05941	0.5
115.05806	2.1
119.04916	1.0
119.08595	0.5
120.01168	0.5
120.08078	3.2
121.06512	1.7
122.07246	0.5
123.08099	1.2
124.03924	1.0
124.11258	0.6
125.04186	3.9
127.05772	11.9
128.07048	2.3
129.10233	1.2
130.08607	1.0
131.07011	1.9
131.08572	0.7
132.10156	0.4
135.11671	0.7
136.07568	6.7
136.08534	0.7
141.12776	0.4
145.01427	0.6
145.02815	0.5
147.04398	1.1
148.09673	34.2
153.03711	0.8
155.06819	0.7
159.02974	6.1
159.11577	0.5
177.04018	61.1
177.12646	0.7
178.04292	1.0
187.02461	10.0
190.08540	0.5
193.09718	3.3
193.11217	0.5
195.13797	0.7
197.87653	0.4
198.11246	0.7
204.05092	6.4
205.03516	12.7
207.11272	1.0
220.09425	3.7
224.16496	3.3
252.15791	0.6
257.30267	0.5
259.64905	0.6
268.15594	0.6
270.09805	0.7
270.16977	4.4
288.10843	44.3
289.11334	0.7
320.51678	0.5
334.11322	5.9
352.12454	59.1
352.16983	1.9
353.12772	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01855	1.8
55.05505	16.3
56.96565	6.6
57.03434	7.2
57.07052	3.5
65.03952	2.7
67.05499	42.3
69.03415	1.9
69.07061	15.4
70.49541	5.2
71.04990	2.5
71.08604	2.5
73.06559	1.2
75.04469	4.0
79.05488	58.1
81.03431	1.7
81.07051	52.0
83.04984	2.4
83.08611	6.1
85.06534	4.8
91.04887	2.3
91.05470	62.5
93.07034	81.2
95.04949	8.9
95.08601	39.2
97.06528	3.2
97.10169	2.6
99.08082	5.1
105.07018	64.1
107.04944	1.7
107.07857	2.7
107.08582	50.5
109.06521	4.2
109.10143	12.9
111.08067	1.8
113.09657	3.9
114.41909	1.4
117.07025	13.7
119.08572	58.3
121.10127	34.2
123.08092	2.8
123.11685	3.0
125.09647	1.3
129.06973	9.5
131.08556	22.6
133.10123	47.2
135.08058	3.0
135.11673	31.7
137.09599	2.2
138.43724	1.4
139.11090	1.5
143.08551	11.7
145.10107	23.9
147.11673	46.3
149.09628	3.8
149.13245	21.2
151.11182	2.7
157.10138	11.5
159.11671	21.8
161.09630	2.1
161.13243	34.4
163.11244	3.8
163.14796	7.8
165.12732	3.4
171.11685	16.1
173.13240	12.9
175.11186	2.3
175.14793	14.0
177.12730	4.0
185.13269	13.6
187.14845	3.0
189.12799	3.4
191.14406	1.8
199.14775	8.2
201.16240	2.0
203.14313	3.3
213.16396	5.2
217.07484	2.0
217.15776	1.5
217.19514	5.4
231.21010	8.3
241.19492	35.2
255.09091	2.8
259.20547	100.0
260.20978	4.6
267.09064	1.5
269.10675	2.6
273.10123	2.9
277.21658	5.3
285.10123	4.5
333.17520	1.8
333.24286	3.0
343.45273	1.4
351.18341	5.5
351.25290	54.2
352.25754	3.9
369.19348	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01862	5.6
55.05501	23.4
57.03418	14.0
57.07053	13.4
65.03932	3.6
67.05167	5.0
67.05499	78.4
69.07054	23.5
71.04988	4.6
71.08624	5.0
71.60944	5.9
79.05050	5.6
79.05488	74.9
81.07052	79.9
83.08627	17.5
85.06528	12.2
91.05475	69.5
93.07035	86.6
94.93706	3.6
95.04968	11.4
95.08596	61.8
97.06548	4.7
97.10156	6.3
99.08087	11.7
101.43185	3.6
103.03923	4.3
105.07021	62.7
107.04955	4.0
107.08594	52.9
109.06490	5.8
109.10152	24.6
111.08049	3.8
117.07004	15.6
119.08573	67.4
119.40019	3.8
121.06532	3.8
121.10137	49.0
123.08067	5.7
123.11674	9.4
125.09599	4.3
128.06213	4.1
129.05429	3.4
129.06990	11.8
131.08588	27.7
133.10129	56.6
135.11688	41.5
143.08553	15.4
145.10117	29.2
147.11681	43.3
149.09593	6.8
149.13292	21.9
157.10139	16.2
159.11743	22.2
161.13245	61.0
163.11154	7.3
163.14835	18.0
169.10045	4.7
171.11705	20.6
173.13240	20.4
173.34183	3.5
175.11166	5.3
175.14810	40.9
177.12723	4.9
185.13310	17.5
187.14798	9.8
199.14813	12.0
203.14299	5.3
213.16263	3.8
217.19504	10.1
229.25266	4.1
231.17407	7.6
231.21056	13.8
241.19475	52.9
259.20578	86.0
277.21555	23.5
333.24152	12.6
351.25400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01864	1.8
55.05506	19.5
56.96555	2.9
57.03430	8.2
57.07063	3.0
63.44622	0.9
65.03930	2.3
65.51140	0.9
67.05498	51.3
68.48355	1.0
69.07056	17.3
69.07405	1.7
70.11441	2.3
70.11817	4.2
71.04986	3.5
75.04469	1.8
77.03906	1.6
79.05484	73.5
80.05829	1.6
81.03401	1.5
81.07047	56.4
83.04980	2.2
83.08610	6.7
85.06535	4.0
91.05470	51.9
91.70981	1.0
92.48206	1.1
93.07034	93.6
94.07380	1.1
95.04954	9.0
95.08597	37.6
97.06529	3.4
97.10168	3.5
99.08082	5.0
105.07016	57.5
107.04931	1.2
107.08584	56.8
109.06525	3.8
109.10151	15.5
111.08074	1.9
113.09631	2.8
117.07002	13.2
119.08570	54.2
121.06532	1.1
121.10126	44.6
123.08057	2.7
123.11697	4.3
125.09587	2.0
129.06956	7.5
131.08548	22.6
131.09506	1.6
133.09093	2.4
133.10109	48.4
135.08104	1.5
135.11676	46.6
137.09651	3.0
142.07755	2.2
143.08524	9.8
145.10106	22.4
147.08086	1.3
147.11673	49.8
149.09610	3.4
149.13240	30.4
150.13579	1.2
151.11131	2.2
157.10117	9.7
159.11673	23.8
161.13234	36.0
163.11182	2.8
163.14810	9.9
165.12801	2.0
169.10144	1.3
171.11650	13.9
173.09639	1.7
173.13258	11.1
175.11319	2.2
175.14821	16.1
177.12766	2.5
179.14311	1.3
181.10170	1.0
181.12242	1.5
183.11748	1.7
185.13242	13.0
187.14771	3.1
189.12784	3.8
189.16441	2.0
191.14354	1.4
195.13893	1.1
199.14857	7.0
201.16389	1.4
203.14352	2.8
209.13219	1.9
211.14796	1.4
213.16275	5.7
215.17955	2.2
217.15938	1.3
217.19495	2.4
231.17409	2.3
231.21036	7.1
235.16960	1.4
241.19493	35.7
242.19968	1.3
259.20544	100.0
260.20892	3.1
261.22131	1.1
267.17368	1.1
277.21582	13.6
333.24429	8.1
351.18350	5.2
351.25357	55.6
352.18622	1.0
352.25784	3.1
369.19534	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.01860	4.9
55.05502	18.1
57.03435	15.2
57.07059	5.1
58.57784	1.2
65.03927	1.7
67.05497	49.5
69.07057	17.2
71.04967	2.3
71.08624	50.6
71.52254	2.0
74.76768	1.3
79.05482	42.9
81.03410	7.8
81.07048	53.2
83.04974	11.0
83.08593	10.2
85.06538	3.1
91.05473	31.8
93.07033	60.2
95.04960	13.0
95.08598	35.1
95.09113	1.0
97.06506	9.9
97.10134	2.4
99.08080	34.5
105.07018	21.4
107.04942	7.6
107.08572	31.4
108.27061	1.3
109.06505	4.3
109.10143	14.7
109.14274	1.3
111.08059	3.4
111.23354	1.2
113.09621	3.3
117.07003	6.5
119.08562	18.7
121.10132	25.4
123.08051	2.8
123.11752	2.1
125.09624	1.9
127.11221	1.8
129.06990	2.0
131.08548	5.7
133.06429	1.3
133.10117	11.9
135.08072	1.7
135.11682	29.5
137.09596	4.5
141.09070	3.0
142.12053	1.4
143.08542	3.0
145.10063	4.9
147.04985	1.2
147.11679	8.3
149.13235	13.1
151.11172	19.9
153.12753	1.7
157.10164	1.6
159.11726	3.6
161.13252	11.3
163.11159	6.1
163.14789	2.3
165.12637	1.5
165.78636	1.4
167.10641	3.6
171.11700	3.3
173.13210	1.9
175.14816	1.9
177.12764	4.2
179.14290	100.0
180.14619	2.5
185.13203	2.0
189.12773	3.4
195.13863	2.5
199.14787	2.1
221.15413	4.7
235.16876	5.1
241.19485	3.3
259.20618	5.3
277.21570	33.0
351.25314	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	26.8
56.96560	21.1
57.03418	25.3
57.07069	8.7
62.34555	5.9
67.05498	100.0
69.03426	6.5
69.07056	30.0
69.82972	6.1
70.04052	6.1
70.34095	24.4
71.05001	7.4
71.08631	52.8
79.05493	71.5
81.03429	10.3
81.07058	85.9
83.04984	7.2
83.08621	34.8
88.02626	6.7
91.05480	61.0
93.07040	88.3
95.04962	24.9
95.08609	57.0
95.33643	5.0
97.06514	10.6
97.10133	9.0
98.21497	6.1
98.97613	8.0
99.08086	48.2
105.07013	49.4
107.04947	8.3
107.08593	54.1
109.10152	29.8
111.08077	6.7
113.09680	7.0
117.07018	12.4
119.08576	46.2
121.10145	36.7
128.98605	6.9
129.06998	13.1
131.08528	18.4
133.10095	31.5
135.11696	40.6
137.09709	8.9
143.08554	6.3
145.10103	12.1
145.16937	6.1
147.11678	27.7
149.13271	17.8
151.11179	19.4
159.11693	12.3
161.13243	25.1
163.11153	16.0
171.11687	13.4
173.13148	6.2
175.14845	15.9
179.14299	60.6
185.13300	7.2
213.08046	8.4
231.17268	6.5
241.19547	12.5
259.20596	26.5
277.21579	37.9
281.10580	6.1
292.22760	19.5
299.11615	8.8
322.34808	6.5
333.17300	67.4
333.20728	8.6
351.18094	97.1
351.21518	16.4
351.25250	32.0
352.18582	8.9
352.25125	18.2
369.19443	22.3
374.19873	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01855	3.0
55.05297	2.2
55.05507	25.1
57.03429	15.0
57.07055	5.5
65.03955	2.9
67.05502	75.9
69.07062	22.2
69.39091	2.7
69.39500	15.8
71.04976	6.5
75.04501	2.1
79.05489	79.7
81.07051	85.5
82.07395	2.5
83.04964	4.6
83.08617	13.9
85.06538	8.9
91.05474	80.8
93.07040	97.0
94.07365	2.1
95.04970	9.1
95.08603	69.5
97.06527	3.7
97.10168	4.8
98.20654	3.9
99.08104	12.2
101.06031	2.0
103.03945	3.9
105.07026	68.9
106.07356	2.3
107.04903	2.3
107.08589	58.8
109.06508	4.7
109.10156	25.3
111.08047	3.6
113.09631	2.4
117.07005	21.1
119.08574	68.8
121.06483	2.0
121.10138	64.3
123.08126	3.6
123.11697	9.6
128.06264	2.4
129.05489	4.9
129.06995	14.0
131.08559	32.4
133.10120	57.5
135.08055	3.5
135.11684	33.4
137.09618	3.5
137.13322	2.7
143.08553	16.9
145.10124	20.7
147.11685	49.0
149.09612	9.3
149.13254	31.1
157.10135	15.4
159.11710	23.2
161.09642	3.8
161.13254	74.8
162.13612	3.1
163.11241	5.0
163.14783	21.0
171.11688	24.2
173.08244	1.9
173.13254	20.7
175.11296	4.6
175.14816	49.0
176.15154	2.0
177.12766	7.0
177.16370	2.8
179.14314	2.7
185.13257	19.9
187.14818	7.2
189.12750	7.0
189.16391	3.1
190.93042	2.1
199.14815	14.1
201.16498	1.9
203.14304	6.2
208.35629	1.8
213.16356	6.6
215.17981	5.4
217.15953	4.6
217.19466	9.0
221.15318	2.9
231.17485	9.8
231.21057	15.1
241.19507	55.7
241.22008	3.2
242.19833	3.7
259.20560	97.1
260.20929	5.1
277.21579	17.3
278.22156	2.2
310.06369	2.1
332.99622	2.1
333.24139	12.5
351.25317	100.0
352.25684	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	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03929	3.1
53.38367	1.1
54.39420	1.1
55.01854	3.2
55.05258	1.6
55.05508	24.5
55.05775	1.9
57.03429	13.0
57.07063	4.4
65.03924	3.6
67.05497	57.4
69.07055	19.5
69.48878	2.5
69.49300	7.2
71.04977	3.7
71.08621	17.8
75.04454	2.4
79.05482	78.4
81.03401	3.0
81.07046	75.3
83.04975	5.7
83.08615	10.9
85.06525	4.7
91.05468	57.5
93.07031	99.8
94.07341	1.5
95.04967	11.3
95.08596	45.4
96.08933	1.7
97.06542	6.9
97.10152	2.8
99.08083	13.2
103.05437	1.4
103.61916	1.0
105.07017	60.1
107.04945	4.0
107.08578	62.6
109.06520	5.0
109.10137	19.0
111.08015	2.7
113.09629	3.2
117.06991	14.7
119.08569	56.8
121.06507	2.2
121.10129	49.9
123.08026	2.4
123.11678	3.9
125.09571	2.0
127.11145	1.6
128.06215	1.6
129.05492	1.9
129.07005	8.9
131.08566	22.3
133.10114	51.8
135.08038	2.5
135.11671	48.5
137.09619	2.4
139.11171	2.1
143.08548	8.6
145.10106	23.3
147.11674	46.8
148.11971	1.3
149.09576	3.5
149.13234	31.2
149.14354	2.3
151.11179	8.6
153.12762	2.2
153.59149	1.1
157.10138	10.8
159.11668	19.1
161.09615	2.1
161.13240	42.8
163.11201	5.1
163.14784	10.0
165.12703	2.3
169.10095	1.3
171.11646	15.5
173.13272	9.7
175.11151	3.2
175.14803	21.5
177.12698	6.0
179.14281	25.8
185.13203	13.7
187.14830	3.6
189.12703	4.1
189.16324	1.7
191.14249	1.9
193.11824	1.1
199.14783	6.9
201.16356	1.4
203.14325	2.6
207.13847	1.9
213.16376	6.0
215.17943	2.4
217.15900	1.8
217.19504	4.9
221.15337	3.1
231.17413	3.9
231.21045	10.2
235.16873	2.0
241.19476	41.1
242.20030	1.2
259.20544	100.0
260.20905	2.6
261.22220	1.4
277.21585	24.8
323.74377	1.3
333.24185	8.6
348.57843	1.2
351.25256	72.0
352.25458	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01854	2.0
55.05255	1.8
55.05504	18.0
57.03432	10.0
57.07063	2.9
65.03927	2.8
65.28728	1.2
67.05498	48.3
69.07059	16.2
70.66176	5.5
71.04974	3.8
71.08618	1.3
71.62109	1.4
75.04501	2.6
79.05486	65.8
81.03380	1.2
81.07051	60.4
83.04997	2.2
83.08607	7.6
85.06536	2.4
91.04898	1.5
91.05475	57.6
93.07034	88.7
95.04971	9.2
95.08045	2.7
95.08595	37.9
97.06503	3.6
97.10128	3.8
98.21480	1.8
99.08088	2.9
105.07019	55.0
106.07332	2.0
107.08585	58.1
108.08939	1.7
109.06502	2.2
109.10142	14.0
111.08109	1.6
113.09653	2.7
115.07581	1.5
117.06993	13.3
119.08567	59.2
121.10133	42.5
123.08022	1.8
123.11702	3.1
125.09593	2.8
128.06239	2.4
129.06975	10.3
131.08569	20.0
133.10117	47.6
135.08067	2.7
135.11676	44.1
137.09590	2.3
142.07770	2.2
143.08551	9.9
145.10114	24.7
147.11671	54.7
148.11974	1.5
149.09586	4.0
149.13243	27.8
151.11221	2.9
157.10123	11.2
159.11656	17.1
161.09621	2.8
161.11954	2.9
161.13240	46.3
162.13588	1.9
163.11137	3.5
163.14809	11.1
163.92677	1.4
171.11723	16.4
173.13226	11.2
175.11186	3.1
175.14812	22.2
177.12708	4.4
181.12431	1.7
185.13264	15.9
187.14754	4.4
189.12741	3.2
193.12181	1.6
199.14793	7.0
203.14351	2.9
213.16389	4.8
215.17993	2.6
217.15790	2.1
217.19502	6.2
221.15453	2.1
227.82967	1.5
231.17554	3.0
231.21066	12.3
235.16942	2.3
241.19487	41.6
259.20551	100.0
260.20944	5.1
277.21573	16.5
333.24219	10.5
351.25253	65.4
352.25467	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.0
55.01856	3.0
55.05510	15.9
56.73918	1.4
56.96565	12.2
57.03432	8.7
57.07061	3.4
62.48550	1.3
65.03925	3.2
67.05501	50.2
69.07065	20.0
69.34393	3.5
69.34806	9.9
71.04964	4.1
71.08627	2.4
72.28811	1.5
73.22356	1.3
74.11560	1.2
75.04462	2.2
79.05487	63.6
81.03384	1.8
81.07051	51.5
82.07378	2.4
83.04976	2.5
83.08613	9.7
85.06504	3.6
91.04892	1.9
91.05475	49.1
93.07036	100.0
95.04981	7.2
95.08598	39.3
97.06500	2.4
97.10135	3.1
99.08062	3.6
105.04477	1.5
105.07018	52.9
107.08587	51.8
109.06492	2.0
109.10148	15.9
111.08032	2.2
113.09637	2.4
117.06980	10.4
119.08572	43.7
121.06454	1.7
121.10132	42.7
123.08038	3.1
123.11649	3.7
125.09513	1.3
129.06967	7.9
131.08566	18.9
133.06445	1.6
133.10120	48.0
135.11687	49.1
136.12070	1.7
137.09584	3.8
137.13225	2.1
140.98399	1.9
143.08511	9.3
145.10104	22.5
146.99663	1.8
147.11670	42.3
149.09573	3.8
149.13242	25.2
151.11212	1.9
157.10130	10.0
159.11693	18.0
161.09534	2.0
161.13245	28.0
163.11143	3.7
163.14819	8.9
165.12796	2.6
171.11696	12.8
173.13251	8.3
175.11151	2.4
175.14760	11.8
177.12711	3.3
179.14293	2.8
183.11566	1.6
185.13205	12.3
187.14806	3.1
189.12685	2.3
191.14175	1.6
195.13730	1.8
199.14754	6.4
203.14253	2.3
213.16275	5.2
215.17848	1.4
216.59839	1.3
217.07437	1.9
217.15875	2.4
221.15390	1.8
231.08965	1.7
231.17487	2.7
231.21017	7.5
241.19476	33.3
242.19949	1.7
255.09064	1.5
259.20554	90.7
260.20889	4.1
277.21555	14.3
286.13602	1.4
333.13586	1.5
333.17227	5.9
333.20364	5.1
333.23883	9.0
351.18036	23.2
351.21582	10.5
351.25241	59.4
352.25656	2.4
360.09259	1.7
369.15237	2.7
369.19458	29.3
370.19702	1.9
374.19824	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52132	2.9
53.03938	4.1
55.01856	3.6
55.05508	23.7
56.96557	5.2
57.03428	11.6
57.07072	4.2
65.03928	3.0
67.05161	5.3
67.05496	61.2
68.82612	2.8
69.03416	4.0
69.07068	21.0
70.13659	3.6
70.13965	15.0
71.04992	5.7
71.08640	6.5
74.09759	2.7
79.05486	75.6
81.07050	64.6
83.04973	7.1
83.08609	15.3
83.41167	3.0
85.02898	3.7
85.06544	5.7
91.05470	55.9
92.99458	3.1
93.07036	100.0
95.04967	13.3
95.08601	48.4
97.06551	4.4
97.10146	4.8
99.08082	6.7
105.07021	69.7
107.08583	53.3
109.06491	6.4
109.10155	24.6
111.08051	4.0
112.34354	3.5
115.05447	3.6
117.07011	10.4
119.08572	50.1
121.06485	3.0
121.10135	43.2
123.08073	8.6
123.11698	4.8
129.07004	7.7
131.08563	27.6
133.10118	46.9
135.08044	6.2
135.11679	44.5
143.08566	13.5
145.10121	30.0
147.11687	46.6
149.09496	4.8
149.13243	30.6
151.11185	4.1
153.38676	3.3
157.10149	11.6
158.64238	2.9
159.11679	24.6
161.13248	32.5
163.11124	4.7
163.14854	8.1
166.38081	3.0
171.11722	15.5
173.13248	13.0
175.14839	14.9
177.12791	3.9
179.14322	5.0
182.10947	3.0
185.01036	2.9
185.13284	14.0
187.14818	3.6
189.12759	3.9
199.14751	7.4
213.16318	6.4
217.15878	3.7
217.19479	5.6
222.10333	2.8
231.21118	11.1
233.01010	3.3
237.00706	6.1
241.19487	37.1
259.20557	96.0
264.10410	5.2
277.21524	20.2
333.24374	5.8
339.47299	3.1
351.25388	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27417	2.8
53.03941	4.8
55.01861	8.2
55.05503	31.3
56.96565	7.6
57.03429	19.0
57.07064	14.6
67.05497	73.1
69.03419	3.7
69.07053	31.2
69.48970	15.1
69.49397	12.1
71.04996	5.1
71.08618	12.0
79.05484	72.3
81.03418	5.7
81.07047	83.7
82.07387	4.1
83.04989	8.4
83.08608	12.8
85.02805	3.3
85.06544	6.8
85.10143	3.0
91.05472	94.6
92.05824	3.6
93.07036	89.7
94.07296	3.0
95.04966	14.1
95.08591	54.5
96.17180	2.9
97.06544	7.5
97.10155	7.4
99.08074	16.0
105.07012	74.8
106.07330	3.8
107.04977	3.8
107.08579	52.0
109.06520	8.2
109.10149	21.1
111.08038	4.4
116.03145	3.1
117.07008	21.3
119.08571	84.9
121.10131	44.8
123.08094	4.5
123.11702	5.2
128.06288	4.5
129.05478	6.8
129.06981	16.9
131.08548	30.5
133.10117	63.5
135.08035	5.7
135.11670	29.7
137.09595	6.1
143.08569	14.0
145.10107	26.3
147.08008	7.2
147.11665	52.2
149.09663	5.5
149.13211	26.4
157.10094	19.7
159.11684	19.3
161.09599	9.2
161.13246	57.7
163.11156	7.0
163.14781	12.9
169.10161	3.0
171.11652	28.5
173.13283	18.1
175.11200	10.7
175.14812	47.1
177.12685	4.5
177.16312	4.2
179.14293	6.2
185.13148	17.1
187.14723	6.5
189.12770	12.9
195.10068	3.4
199.14786	11.7
203.14282	3.1
213.16460	7.5
215.17886	6.6
217.15967	4.4
217.19505	36.3
231.17534	5.2
231.21037	24.6
237.00710	6.3
241.19458	64.2
259.20566	100.0
260.20892	4.1
264.10211	10.4
264.60324	3.6
277.21649	25.8
333.24207	10.2
351.25372	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2315
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
53.53786	6.2
55.05505	22.3
57.07078	10.6
60.08974	5.5
67.05502	37.8
69.07066	26.6
71.08622	7.7
71.60531	7.6
71.60953	7.8
74.06189	5.6
79.05488	25.6
79.95525	6.0
81.07056	32.9
83.08615	8.7
91.05470	37.8
93.07062	42.9
95.04974	14.4
95.08603	24.3
99.04446	6.6
105.07010	51.4
107.08609	33.0
109.10172	23.7
111.04419	6.9
111.08084	17.5
117.07084	8.3
119.08582	54.5
121.10142	69.7
121.68130	6.3
123.08047	10.0
123.11707	9.4
128.06264	8.6
129.06981	12.1
131.08554	35.4
133.10127	36.4
135.08084	9.0
135.11720	19.8
137.05965	18.4
139.37373	7.9
143.08582	24.1
144.09297	7.2
145.10115	40.2
147.11693	25.3
149.09657	8.2
155.08568	18.3
156.09343	14.1
157.10091	31.3
159.11703	25.3
161.09598	7.1
161.13190	10.4
169.10161	21.2
170.10901	9.8
171.11646	15.0
173.13258	20.8
175.14839	8.5
179.08403	7.2
180.09238	6.7
181.10139	11.0
183.11682	16.4
185.13278	17.0
187.14821	20.1
193.10146	9.7
195.11661	14.9
196.12598	6.1
197.09424	6.8
197.13260	18.8
201.12810	8.1
209.13300	17.8
211.11198	17.8
211.14777	7.6
213.12582	8.1
222.03966	6.1
225.16324	15.3
229.12210	11.5
235.14761	7.8
237.16534	7.4
240.61775	5.7
250.48262	6.4
252.18770	10.2
259.20758	8.7
265.19592	8.6
277.21652	7.7
323.23679	10.2
333.21881	15.0
351.22986	100.0
352.23407	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	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01866	1.0
55.05500	2.5
56.46502	0.6
56.96567	3.2
57.03424	0.9
57.07055	0.7
60.04533	0.7
63.25127	0.5
67.05505	4.6
69.03424	1.6
69.07071	2.8
70.06603	0.8
70.95905	1.2
71.05019	0.6
71.08579	0.6
77.00893	1.9
79.05488	3.6
80.99490	0.5
81.03405	1.9
81.07050	5.3
83.04996	1.2
83.08620	1.2
84.08131	0.6
84.95992	1.1
85.02905	1.1
91.05489	3.4
93.07025	3.2
93.11398	0.5
94.06523	0.6
95.01946	1.4
95.04970	1.9
95.08607	3.2
97.02882	1.0
97.06510	2.3
98.97579	1.3
99.08092	0.8
105.07043	4.0
107.05007	0.6
107.08600	2.1
109.02885	0.8
109.06488	0.9
109.10165	2.0
110.07132	0.6
111.08063	1.0
116.98608	2.3
117.07013	0.9
119.08585	1.9
121.10152	1.6
123.08086	0.7
123.11703	0.7
124.11255	0.5
125.09637	0.6
127.03920	1.3
131.08524	1.0
133.10107	2.3
133.98756	0.6
134.99612	3.1
135.08038	1.1
135.11676	1.0
137.05980	1.9
137.09595	1.3
141.07010	0.8
145.10172	1.7
146.99634	0.9
147.04323	0.7
147.08052	0.9
147.11652	1.3
149.09604	0.8
151.07556	0.7
151.11334	0.6
159.11685	1.0
161.09590	1.3
161.13237	1.0
171.11708	0.9
177.00668	1.2
181.43129	0.6
189.00729	1.4
201.00642	1.2
201.09712	0.7
215.11354	2.4
217.04984	0.8
229.07605	0.9
231.10768	1.6
233.12503	0.7
239.11218	0.8
253.12892	2.6
257.12259	0.8
259.13376	1.1
261.15295	0.6
271.13785	3.2
277.21619	1.2
281.12460	0.7
301.03394	0.6
313.03491	1.7
315.18237	0.9
319.09610	0.9
321.06409	0.8
330.06686	0.9
332.57690	0.8
333.19064	4.1
347.00607	0.7
351.21396	100.0
352.21674	1.2
355.08051	1.6
369.21130	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	351.2025
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
53.03946	0.4
55.05513	1.5
56.05033	0.9
57.03423	0.5
60.04525	0.3
60.13971	0.3
65.03933	0.4
67.05497	0.8
69.03403	0.4
69.58973	1.4
69.59405	0.9
70.06587	19.4
71.06907	0.3
72.08145	1.1
72.97395	0.3
74.06053	0.4
79.05486	2.1
81.03416	0.3
81.04541	1.2
81.07051	6.3
82.05312	3.7
82.06568	0.9
83.06093	3.0
84.04506	0.6
84.08137	24.6
84.29872	0.3
85.02894	0.8
85.08453	0.5
86.09697	0.7
86.62376	0.3
91.05467	0.8
93.04511	1.3
93.07022	0.4
94.06473	0.3
95.04951	0.6
95.06086	1.6
95.08587	0.4
97.02882	0.4
98.06050	0.6
98.21400	0.3
99.08080	0.3
101.04238	7.2
107.04942	0.4
110.07157	48.9
119.04931	1.0
120.08102	1.0
121.03997	1.1
121.06517	0.4
121.07597	0.7
122.07121	0.9
123.05544	0.9
125.07109	0.5
127.05769	0.6
129.10260	0.8
130.08621	1.9
132.04556	0.4
136.05141	0.3
136.07590	0.4
137.07094	1.0
138.06627	2.1
145.05167	0.3
147.04387	1.7
148.04935	0.5
149.07112	1.0
154.07362	0.6
156.07790	0.3
161.10741	0.4
162.05522	0.4
162.10249	9.5
163.12280	2.6
166.06113	4.6
166.08528	0.3
171.05498	0.3
172.06277	0.5
174.10338	0.3
177.04034	5.2
178.04974	0.6
180.12555	0.6
182.99684	0.5
189.06580	4.3
190.05154	0.4
190.09770	0.9
190.13374	1.1
198.13560	0.3
201.00659	2.1
201.10187	4.5
205.03506	1.4
206.73755	0.3
207.12392	4.1
208.14430	2.6
217.10826	2.8
218.09274	0.7
218.12933	1.1
219.01781	0.6
220.14514	0.4
226.15453	1.1
235.11882	38.3
236.12196	0.6
254.10805	0.3
260.17642	0.6
264.13339	0.9
270.09830	0.9
278.18591	0.5
279.25909	0.3
282.14368	0.6
287.18661	1.8
288.10831	7.3
305.19766	0.3
315.18109	9.8
316.18591	0.4
333.19168	24.0
334.19370	0.6
351.14075	10.5
351.20224	100.0
352.14233	0.9
352.20450	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	351.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29901	0.5
53.03950	1.2
55.01849	0.8
55.05507	51.0
56.05032	3.3
56.96565	1.3
57.03418	0.7
57.67595	0.5
58.99576	3.8
60.04515	1.9
63.18173	0.6
67.05495	1.9
69.03423	1.4
69.07056	1.7
69.44696	1.7
69.45103	3.0
70.06588	15.3
71.04979	0.6
71.06905	0.6
72.08149	6.6
74.06081	1.1
75.02717	0.5
76.02226	2.6
77.55727	0.5
79.05479	1.8
80.05016	1.1
81.03400	1.3
81.07052	2.2
82.06580	1.1
83.04952	1.3
83.06120	0.8
83.08612	100.0
84.04499	43.2
84.05014	1.4
84.08131	7.8
84.08941	1.9
85.01146	0.5
85.02903	1.5
85.04849	0.6
85.08450	0.8
86.09704	9.1
86.99044	5.4
87.05620	0.8
88.03986	1.7
91.05468	3.5
92.01841	0.6
93.03407	0.6
93.04529	1.1
93.07037	0.7
95.04944	0.8
95.06113	0.6
95.08601	0.7
97.02884	0.9
97.06549	0.6
99.04478	0.7
101.04236	1.0
101.09649	19.0
102.05550	1.8
102.09145	0.6
105.00080	7.3
105.07022	1.1
107.04927	0.7
108.04544	0.6
109.02866	0.7
109.06580	0.6
109.10194	0.5
110.06013	0.8
110.07169	7.6
112.08691	0.8
114.03746	0.9
116.01620	1.1
116.07107	0.7
116.98582	0.8
119.04940	2.0
120.08103	2.3
122.02699	2.5
122.06020	0.6
123.01152	0.8
124.07605	0.7
125.07091	0.8
127.03928	0.9
128.10675	0.7
129.06607	0.7
129.10239	3.8
130.04990	7.8
130.08649	0.8
133.03177	0.9
136.07533	2.6
137.07069	0.6
137.09547	0.6
142.03209	5.1
143.11838	2.2
144.01189	0.5
145.02856	1.1
147.04395	4.1
147.07970	0.6
149.01244	0.5
154.05060	0.8
159.08365	6.2
161.01311	0.6
162.02202	1.5
163.03893	1.8
170.05994	0.6
170.10414	0.6
171.07643	1.1
173.12895	0.9
174.13297	0.7
177.05493	1.0
182.08134	1.3
187.07899	2.3
188.03827	2.2
190.05029	0.8
201.00725	0.9
205.08920	59.1
206.09300	1.3
208.02779	0.6
208.06270	0.6
217.08197	0.7
219.01871	0.6
222.09418	1.2
222.11574	19.9
235.12048	2.1
246.11249	0.6
247.11732	1.7
250.01514	0.7
255.04984	0.9
264.05542	1.4
264.55664	0.6
273.09457	0.7
288.12720	1.9
291.10239	1.3
313.12338	0.5
333.10718	1.4
333.14679	1.5
333.19104	1.5
334.13229	1.5
351.11734	1.4
351.15851	8.5
351.20300	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	351.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31682	2.4
69.35932	24.5
78.89059	2.2
89.38841	2.3
98.97569	4.0
100.86842	2.8
116.98534	2.8
117.88754	2.5
122.38271	2.6
137.01894	3.7
143.01886	2.8
143.39125	2.6
144.63216	2.8
146.99615	2.5
177.00703	2.7
243.28494	2.6
321.51111	3.4
351.06848	100.0
351.11636	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	351.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92398	0.7
53.03940	1.4
55.01863	0.9
55.05507	46.6
56.05026	2.9
56.96555	2.0
57.07084	0.8
58.99576	3.2
65.03928	1.0
67.05492	1.0
69.03433	1.3
69.07056	1.9
69.51595	2.8
69.52023	3.1
70.06593	8.1
72.08141	3.4
74.06080	0.8
76.02229	3.0
79.05485	1.0
80.04997	1.0
81.03424	1.1
81.07051	1.3
83.08611	100.0
84.04497	42.3
84.08140	14.1
84.08931	1.8
85.02909	1.2
86.09696	14.6
86.99039	4.5
88.03982	1.6
91.05494	5.2
92.05827	1.0
93.07030	1.1
95.04935	1.0
95.08598	0.9
98.21473	1.4
101.09653	19.1
102.05553	2.2
105.00087	8.3
108.04475	1.4
110.07169	2.3
111.04388	1.0
112.08680	0.9
114.19344	0.7
119.04939	4.4
120.08118	2.1
121.02869	0.9
122.02743	2.7
122.06038	0.8
124.07635	1.1
124.34724	0.8
127.03923	1.0
129.10240	9.5
130.05020	7.9
130.10571	1.2
136.06136	1.5
136.07619	3.5
142.03210	6.4
147.04390	12.7
148.04788	1.8
148.06010	0.8
156.06509	1.0
159.08380	5.4
164.98509	0.8
170.08174	1.9
171.07585	0.9
176.10982	0.7
177.05574	1.0
178.04924	0.8
182.08148	2.8
182.99663	3.4
184.07425	0.8
187.07890	2.2
188.03767	2.4
201.00700	12.3
205.08916	55.8
206.09225	0.9
212.56859	0.7
217.08211	0.9
219.01814	2.6
220.11990	1.5
222.11557	21.8
258.14612	0.7
259.13342	1.3
264.68124	0.8
288.12634	2.8
301.78616	0.7
302.21997	0.7
329.54108	0.7
333.14526	1.7
334.13165	1.2
351.03790	2.0
351.15787	10.2
351.19659	1.4
370.68787	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	350.1343
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
52.57663	0.2
53.03927	0.8
54.92891	0.3
55.01852	1.2
55.05504	0.5
56.05014	0.4
57.03436	2.5
59.04993	0.4
59.12125	0.3
60.04521	6.2
61.02909	2.1
67.05480	0.9
69.03079	0.5
69.03421	7.6
69.07066	0.3
70.06554	0.4
71.01353	0.8
71.04987	2.4
71.50115	0.5
71.50473	0.3
72.08130	0.9
73.02886	0.9
74.06052	0.3
75.41451	0.2
77.28918	0.3
79.05450	0.8
81.03394	1.4
81.07042	1.5
84.08118	0.4
86.09674	0.4
87.04433	0.4
91.05473	1.5
93.07019	0.9
95.08583	0.7
99.04454	2.2
105.07014	0.5
109.06510	0.3
109.10139	0.5
117.05533	0.6
118.06532	3.8
120.08079	1.6
121.10145	0.3
122.09666	0.3
123.08103	0.4
125.04341	0.3
131.06023	0.4
132.06818	0.4
132.08070	1.2
133.10164	0.3
135.11542	0.3
136.07561	0.4
145.07591	15.9
146.08385	0.6
147.09151	19.6
157.07587	1.1
159.09157	9.3
160.09959	1.4
161.10715	0.8
171.09160	0.4
173.07095	1.4
173.10745	1.4
175.08728	1.4
180.10239	0.4
182.08443	0.5
184.09952	0.6
185.10727	2.9
186.11490	0.5
187.08647	1.3
187.12254	1.1
189.10214	1.1
191.08131	100.0
192.08527	1.4
197.10750	1.9
199.08640	1.0
199.12251	1.3
201.10229	0.8
203.11800	0.4
211.08569	0.4
213.10153	1.8
215.11771	1.0
216.07660	8.5
216.09680	0.5
217.09827	0.3
225.10199	1.0
227.08150	0.4
227.11581	0.4
231.11404	0.4
233.09097	0.4
243.11240	0.4
245.09138	0.4
245.12895	0.3
253.09633	0.3
263.13882	7.3
271.10733	0.7
278.24747	0.3
289.11807	3.4
296.25726	0.6
307.12845	50.7
308.13162	0.7
314.26862	0.9
332.27994	1.6
350.13419	43.2
350.28717	3.3
351.13766	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05511	5.2
57.03429	0.6
57.07076	1.2
59.04975	0.7
63.53125	0.4
67.05496	5.6
69.06712	0.8
69.07064	10.7
70.03276	2.1
71.04996	1.0
71.08624	0.7
73.06529	0.7
79.05483	3.5
81.07053	8.6
83.04967	1.2
83.08617	3.6
85.06564	0.7
91.05485	2.9
93.07030	5.0
94.50894	0.5
95.04976	0.6
95.08602	7.7
97.06520	2.0
97.10162	1.0
97.54029	0.4
105.06390	0.5
105.06998	2.5
105.61089	0.4
107.08589	5.3
109.06519	9.5
109.10160	3.8
111.08083	1.7
116.62268	0.5
117.07034	0.6
119.08566	2.8
121.06509	0.7
121.10127	2.9
122.07251	0.9
123.08058	59.4
123.11683	1.3
125.09591	1.1
131.08592	0.8
133.10155	2.5
135.08046	5.1
135.11670	1.9
136.08823	0.5
137.09587	3.2
137.13220	0.6
145.10095	1.2
147.11752	2.3
147.12999	0.4
149.09648	1.2
149.13202	2.1
151.11201	0.8
159.11736	1.3
161.13219	0.8
165.12753	1.0
171.11714	0.5
177.12749	0.6
179.14305	6.5
183.02232	0.5
231.15851	0.5
233.18970	0.9
261.21951	0.5
265.69687	0.5
275.20016	1.7
281.20981	0.6
285.37265	0.5
289.25183	1.1
292.65347	0.4
293.21091	17.0
294.21152	0.5
307.22702	0.8
312.76166	0.4
331.26346	2.6
343.17606	0.5
349.27350	100.0
350.27765	3.0
371.70148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03949	0.5
54.40992	0.5
55.05510	2.1
56.05017	0.4
57.07075	4.8
59.24838	0.4
60.82347	0.5
67.05501	4.8
69.07069	3.0
69.92503	2.3
71.04953	0.5
71.08629	2.8
79.05488	4.9
81.07062	6.2
83.04929	0.6
83.08595	1.2
85.06539	2.6
91.05489	2.9
93.07050	3.7
95.04935	1.4
95.08601	5.4
97.06492	1.1
97.10133	0.7
99.08102	1.4
99.99731	0.4
105.07022	3.9
107.08586	3.7
109.06515	18.6
109.10175	2.6
111.08076	0.9
117.07009	0.7
119.08568	4.0
121.10120	3.4
122.07268	1.8
123.08062	24.3
123.11717	0.7
129.06981	0.6
131.08548	1.6
133.10158	2.1
135.08029	3.5
135.11707	0.8
137.09615	0.6
141.06822	0.5
143.08514	0.6
145.10085	1.6
147.11684	1.3
149.09598	0.5
157.10121	0.8
159.11732	1.4
161.13292	0.7
163.14931	0.5
165.12779	0.8
167.14314	0.7
169.10144	0.6
171.11731	0.7
173.13240	0.7
175.14778	0.5
179.14301	100.0
180.14624	1.9
183.11748	0.7
185.13303	0.7
187.14926	0.5
193.15878	2.8
237.16339	0.4
261.63812	0.5
270.46014	0.4
275.20074	1.1
293.21393	0.6
331.26361	3.0
349.27374	79.4
350.27649	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	6-Pentadecylsalicylic acid
Peak:m/z	Relative Intensity
53.03925	0.8
55.01846	0.7
55.05301	0.6
55.05515	6.8
57.03423	1.3
57.07065	1.3
57.44432	0.5
66.92784	0.5
67.05504	6.5
69.06715	0.8
69.07064	10.7
71.04978	1.7
73.06559	0.8
75.47477	0.5
76.22702	0.5
79.05488	5.3
80.77558	0.5
81.07055	10.2
83.05005	0.9
83.08619	5.2
91.05497	3.3
93.07039	6.0
95.04989	1.0
95.08614	8.4
97.06521	2.4
97.10133	1.0
105.07030	2.9
107.08598	6.4
109.06518	8.6
109.10146	3.8
111.08102	1.9
117.07009	0.9
119.08578	4.8
121.10153	3.5
123.08065	71.0
123.11684	2.4
124.08379	0.8
131.08559	1.1
133.10118	3.5
135.08075	4.5
135.11674	2.2
137.09607	3.8
145.10074	1.0
147.11729	2.6
149.09637	2.0
149.13213	1.9
151.11147	1.0
153.12726	0.7
159.11708	1.5
161.13237	1.7
165.12782	0.7
173.13297	1.0
175.14781	0.7
177.05534	0.6
179.14296	2.6
229.43182	0.6
250.96779	0.6
275.20071	2.4
289.25204	0.9
293.21091	16.3
303.26831	0.9
331.26294	4.2
349.27362	100.0
350.27756	4.0
353.73364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.05503	19.6
57.03425	3.7
57.07069	7.2
61.91179	2.4
65.03953	4.8
67.05501	43.4
67.87960	2.8
68.49120	2.9
68.96175	2.7
69.03426	3.8
69.07060	21.8
71.04978	7.9
71.34713	5.9
76.93331	2.8
79.05488	39.2
81.07044	52.8
83.04978	2.9
83.08620	6.3
91.05471	62.2
93.07036	71.5
95.04959	25.6
95.08596	46.5
97.06544	12.9
103.05428	4.8
105.07020	100.0
107.08572	50.1
109.06516	12.2
109.10149	45.2
115.05453	6.0
117.07000	18.0
119.08574	79.7
121.06483	6.2
121.10130	85.3
121.11015	4.4
123.08086	7.2
123.11728	15.3
126.89396	2.7
128.06207	11.1
129.07004	15.0
130.07768	7.9
131.07600	3.6
131.08551	47.5
133.10117	54.5
135.08035	17.6
135.11714	19.7
137.09631	4.9
139.51323	3.0
141.07022	7.9
142.07748	19.1
143.08551	36.9
144.09331	10.7
145.10117	62.2
146.07254	4.4
147.08020	3.1
147.11696	20.9
149.09593	11.1
149.13315	3.6
153.06987	3.7
155.08574	13.2
156.09338	12.1
157.10110	49.3
158.10887	5.9
159.11674	31.7
161.09627	17.6
161.13280	13.7
165.07086	2.9
167.08554	6.5
168.09294	6.3
169.10095	19.8
170.10927	8.0
171.11691	21.6
172.12326	4.3
173.09625	7.7
173.13220	19.9
175.11203	3.1
175.14850	13.0
179.08545	11.9
180.09328	4.1
181.10141	11.8
182.10904	4.3
183.11671	26.5
184.12383	3.8
185.13301	17.1
187.14766	24.1
189.12788	4.0
193.10110	6.6
194.10907	8.3
195.11699	14.9
196.12408	5.1
197.13235	18.5
199.11186	5.2
199.14774	12.8
200.15508	3.7
201.12775	4.6
201.16331	4.7
206.11137	3.6
207.11676	5.4
208.12532	3.9
209.13242	25.4
210.13997	5.3
211.14809	12.4
213.16403	5.0
221.13185	4.2
222.14011	3.3
223.14832	10.0
225.16408	7.5
227.14296	12.9
233.13243	3.9
235.14877	4.2
237.16359	6.8
239.17929	9.0
251.18057	5.0
253.19540	5.4
255.17334	3.9
261.16568	2.9
265.19543	6.3
266.20142	4.3
275.17664	4.3
275.20386	4.5
293.18945	8.2
321.25891	3.7
331.23920	6.8
349.25189	62.5
349.29333	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	349.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	4.0
55.05514	18.8
57.07067	5.2
59.37680	4.1
65.03934	3.7
67.05499	42.2
69.03429	4.1
69.07055	19.8
70.77100	3.8
71.04974	5.2
73.65719	3.9
79.05491	43.1
80.15913	4.0
81.07052	62.4
83.08624	8.2
83.16325	3.6
91.05475	62.0
93.07033	69.9
95.04971	29.6
95.08601	43.0
97.06525	18.3
98.21542	7.7
103.05467	4.2
105.07028	100.0
107.08585	54.1
109.06505	14.3
109.10159	42.3
117.07058	20.8
119.08578	88.2
121.06487	13.3
121.10134	81.4
121.11001	4.2
123.08070	9.2
123.11730	6.2
128.06262	5.9
129.07004	13.3
130.07785	8.2
131.08565	49.3
133.10126	52.2
135.08072	12.9
135.11668	16.1
141.07030	8.5
142.07785	16.4
143.08539	25.6
144.09325	7.8
145.10118	63.2
147.08096	6.0
147.11638	18.7
149.09628	9.7
155.08524	11.4
156.09369	7.7
157.10115	30.9
159.08051	5.0
159.11705	23.5
161.09657	17.1
161.13237	6.0
167.08545	5.7
169.10121	16.6
170.10905	6.7
171.11673	18.9
173.09615	5.1
173.13275	21.2
175.11226	5.5
175.14754	9.8
179.08530	9.7
181.10120	7.0
182.10924	5.1
183.11653	18.7
184.12498	4.6
185.13284	13.6
187.14836	18.5
189.12700	4.5
193.10098	6.0
194.10928	9.6
195.11632	9.5
196.12437	5.3
197.13277	15.8
199.14816	6.7
201.16310	7.7
209.13225	21.3
211.14803	8.4
223.14946	8.4
227.14417	9.9
237.16545	4.0
239.17905	8.1
265.19675	5.6
275.20065	8.8
298.49979	4.6
307.20593	4.7
331.24292	7.0
349.18658	5.7
349.24973	47.2
350.25507	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60301	1.2
53.03937	3.3
54.13920	1.4
55.01856	3.9
55.05512	11.1
56.96561	2.0
57.03435	39.3
57.07054	1.7
59.05014	1.8
65.03931	2.2
67.05166	2.7
67.05502	39.7
69.03428	2.4
69.07063	14.4
69.42528	11.5
69.42936	1.9
71.04977	2.5
79.05490	41.9
81.03417	3.2
81.06574	2.4
81.07053	41.1
83.04968	4.1
83.08617	4.4
85.06551	9.4
85.56943	1.2
91.05473	56.7
93.07037	40.1
94.39137	1.4
95.04962	8.4
95.08607	27.7
97.06507	5.0
97.10154	3.6
98.21465	2.9
99.04449	7.5
99.08102	2.5
105.07027	39.1
107.04964	7.4
107.08588	28.4
109.06506	12.5
109.10146	10.4
111.08055	4.2
117.07011	16.5
119.07771	2.8
119.08567	32.1
121.06474	4.8
121.10147	15.1
123.08051	5.6
123.11668	2.3
125.09608	2.0
129.06995	4.8
131.08563	27.5
133.10123	21.7
135.08057	7.3
135.11687	8.6
137.09601	3.5
143.08551	3.4
145.10115	22.2
145.37759	1.5
147.11693	12.0
149.09596	5.7
149.13283	2.1
153.12758	2.7
155.08638	1.4
157.10066	4.1
159.11661	9.4
161.13243	5.4
163.11150	3.5
169.10088	1.9
171.11693	3.3
173.13260	8.2
175.14825	2.5
185.13266	5.8
192.82112	1.3
197.13306	2.1
201.16396	5.3
203.14285	3.8
219.17427	100.0
229.19600	2.2
239.17857	3.3
257.18979	8.1
275.20056	24.8
276.20300	2.1
331.22742	1.6
342.83643	1.5
349.19839	3.0
349.23679	26.5
350.02029	1.4
367.18164	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88933	1.6
53.03938	7.5
53.07505	1.8
55.01869	13.9
55.05507	52.8
56.05010	1.6
56.94722	1.7
56.96566	3.3
57.03432	23.6
57.07069	3.2
61.02935	1.6
65.03940	5.5
67.05499	66.1
69.03431	6.4
69.07062	27.6
69.73222	4.5
69.73615	9.5
71.04981	5.8
71.08629	2.6
72.08128	1.9
73.82858	1.7
79.05488	100.0
80.05836	1.8
81.03408	7.8
81.07052	51.7
83.04968	27.6
83.08603	18.9
85.06053	1.8
85.06525	3.6
91.05473	53.0
91.06001	3.5
93.07035	72.5
95.04974	17.4
95.08594	31.1
97.06509	9.8
97.10165	15.6
99.08091	2.9
105.07008	43.7
107.04939	32.2
107.08585	62.0
109.06531	11.3
109.10156	24.0
111.08099	7.9
116.06188	1.7
116.98521	3.7
117.07004	16.4
119.08575	31.0
121.06507	4.7
121.10133	25.0
122.66946	1.8
123.08085	5.2
123.11719	6.2
125.09623	15.1
129.07011	4.6
131.00050	5.2
131.08565	20.0
133.03441	2.7
133.10123	28.3
135.08076	7.9
135.11708	6.7
135.68454	1.7
137.09630	3.3
140.98459	7.9
143.00012	6.4
143.08592	4.2
145.06523	2.5
145.10091	20.3
147.08057	2.9
147.11659	16.5
149.01102	2.0
149.09610	47.4
149.13310	3.4
151.11214	2.0
152.10680	2.9
153.09068	4.3
155.10776	1.8
157.10069	4.2
159.11679	13.4
161.01047	2.4
161.09566	1.8
161.13258	5.1
163.11206	7.4
163.14798	4.8
167.00000	3.7
169.12280	3.2
171.10222	1.8
171.11786	5.3
173.11710	5.7
173.13263	7.3
174.99026	7.8
177.12680	5.6
179.14345	7.9
183.11705	3.6
185.01080	3.6
186.70140	1.9
187.11253	3.0
189.00548	6.6
189.11209	7.0
191.14326	5.5
197.13206	1.8
199.02676	4.0
201.00551	2.9
203.02124	6.1
205.12239	2.9
209.15376	4.9
223.13147	2.2
229.19519	5.8
239.17941	2.6
247.20598	3.3
254.46155	2.0
257.18964	10.5
273.18585	3.5
275.20038	49.9
276.20419	2.1
290.20892	3.9
291.19531	2.9
295.11942	1.9
308.22180	2.1
331.15863	2.2
349.13049	43.3
349.16672	2.6
349.23666	36.8
349.27463	4.0
350.13318	4.1
350.23346	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04776	2.0
53.03945	20.2
55.01870	19.8
55.05507	31.4
55.71528	2.3
56.96553	2.8
57.03434	19.2
65.03919	6.3
67.05499	76.9
69.03426	4.6
69.07064	65.8
71.04985	4.2
71.05574	6.7
72.96915	2.1
79.05137	1.3
79.05483	65.5
81.03411	28.8
81.07051	100.0
82.07382	3.4
83.04982	15.8
83.08604	12.4
85.06538	4.6
91.05473	71.6
93.07037	56.5
95.01318	24.3
95.04956	24.9
95.08597	63.5
97.06511	25.9
97.10139	5.4
97.55324	2.7
99.08124	2.8
103.05448	3.5
105.07018	92.8
106.07370	2.9
107.04946	42.3
107.08591	28.4
109.06474	12.0
109.10140	12.5
111.08073	5.7
117.07007	24.5
119.08570	44.6
119.09364	4.1
120.47110	2.1
121.06496	7.2
121.10156	14.8
123.04433	5.3
123.08047	14.3
123.11678	2.6
125.09600	5.1
129.07004	5.5
131.08553	36.5
133.10120	55.4
135.08057	7.5
135.11678	15.2
137.09628	3.8
139.07545	2.2
141.07013	5.6
143.08517	6.5
145.06490	7.1
145.10114	31.6
147.08054	3.0
147.11699	27.5
149.09619	11.7
149.13246	10.1
151.11136	2.8
157.10132	5.6
159.11694	21.3
161.13269	6.8
163.11186	8.9
165.09166	2.8
169.10074	5.0
171.11792	7.0
173.13213	5.9
177.12718	11.8
179.14301	30.4
187.11186	8.9
195.13872	3.1
197.13290	4.7
219.13733	3.4
239.17883	4.7
247.20532	4.8
257.18958	7.4
265.48312	2.6
275.20032	61.6
276.20456	6.5
277.42923	2.4
349.23730	44.0
349.27673	2.0
349.34076	6.4
350.24280	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	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.0
51.82035	0.9
52.73678	1.0
52.80939	0.9
53.03921	3.5
55.01857	6.7
55.05258	1.3
55.05502	17.1
56.96538	2.6
57.03193	1.0
57.03436	14.0
57.07062	1.5
65.03918	3.3
67.05496	41.1
68.05820	1.0
69.03410	1.4
69.07059	19.9
71.04961	3.0
71.42548	0.9
73.02905	1.2
77.03899	1.1
79.05483	52.0
81.03398	4.4
81.07047	100.0
82.07385	1.3
83.04958	4.4
83.08613	8.0
85.02876	1.1
85.06534	3.9
91.05470	40.1
92.05818	1.7
93.06462	1.8
93.07034	35.7
94.07344	1.3
95.04948	6.8
95.08597	29.8
97.02853	2.2
97.06503	8.2
97.10133	2.7
99.08078	1.7
103.05415	1.3
105.07015	44.8
107.04924	6.9
107.08582	26.4
109.05775	2.1
109.06504	31.2
109.10146	14.0
111.08038	1.3
113.09653	1.4
115.05460	1.4
117.07001	15.1
119.08567	31.6
119.28528	1.0
121.06512	4.5
121.10133	14.8
123.08060	6.0
123.11689	4.4
125.09638	2.4
128.06209	1.7
129.06987	4.6
130.07658	0.9
131.08562	18.7
133.06490	1.6
133.10114	29.7
135.08018	4.5
135.11676	7.9
137.09592	4.1
141.06952	2.2
143.08533	4.2
144.09348	1.4
145.10098	25.9
147.08057	1.7
147.10512	1.0
147.11674	18.8
149.09604	9.0
149.13220	5.7
151.11101	3.5
155.08572	1.9
157.10074	5.8
159.11658	15.9
161.09566	2.6
161.13246	4.8
163.11143	5.8
163.14786	1.9
165.12711	3.4
169.10126	2.3
171.11745	4.6
173.09749	1.3
173.13240	8.1
175.11159	4.0
175.14687	1.3
177.12740	3.0
179.14276	1.8
183.11639	4.1
185.13217	2.2
187.11198	2.7
187.14771	1.4
189.11188	1.4
189.12753	1.4
193.12372	2.4
197.13239	3.1
198.57346	1.0
201.12724	2.4
201.16354	1.6
213.16380	2.0
215.14392	1.3
219.17401	4.6
222.91144	1.0
229.19426	4.5
233.15614	0.9
239.17865	5.2
247.20509	5.8
257.18970	16.7
265.21710	1.2
275.20041	40.4
285.10092	2.1
331.22748	1.2
349.16672	3.4
349.23700	47.2
350.24051	1.8
367.17941	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58265	1.6
53.03936	4.5
53.21722	1.4
55.01873	8.8
55.05503	19.7
55.26498	1.6
57.03429	16.7
61.02914	4.4
65.03956	1.7
67.05496	33.0
69.03426	4.2
69.07068	21.7
69.79624	4.8
69.80039	4.7
71.04970	2.3
72.26160	1.7
79.05486	42.5
81.03405	8.6
81.07048	34.9
83.04987	6.5
83.08636	7.9
85.02909	2.9
90.23869	1.9
91.03933	2.4
91.05479	33.9
93.07031	34.9
95.04958	10.0
95.08600	17.0
97.02885	5.1
97.06522	13.7
97.10174	4.6
99.04467	1.6
99.08076	1.8
105.07018	28.9
107.04964	12.5
107.08593	35.5
109.02846	2.7
109.06504	6.5
109.10172	10.6
111.08131	2.4
117.06993	10.5
119.08573	18.9
121.06456	4.6
121.10143	10.9
123.08044	3.8
123.11676	2.6
125.09618	3.8
129.07016	4.4
131.08545	20.0
133.10117	20.6
135.08043	4.5
135.11700	6.9
142.07909	2.0
143.08533	4.6
145.10112	28.4
146.10567	1.8
147.07980	2.7
147.11652	17.2
149.09590	11.4
149.13184	1.7
157.10162	3.7
159.11705	13.7
161.09673	2.3
161.13280	5.3
163.11162	10.5
169.10101	2.5
171.11656	3.4
173.13268	5.2
177.12749	2.1
179.14371	2.3
183.11671	4.7
187.11070	1.7
189.11198	4.6
197.13429	2.1
229.19574	3.2
239.17914	6.2
257.12381	2.7
257.18982	17.5
269.12396	10.0
270.12500	7.7
271.12003	8.6
275.20020	45.1
283.24091	1.9
293.21350	2.5
331.22662	2.1
349.19788	100.0
349.23758	34.5
350.20148	11.3
350.23929	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.3
53.03941	7.4
55.01869	10.4
55.05506	48.6
56.96568	4.1
57.03433	15.2
57.07069	2.5
63.54185	1.5
65.03930	3.3
67.05500	54.7
69.03412	3.4
69.07060	19.2
71.04992	4.4
71.12399	3.0
73.02917	1.5
74.18348	1.2
79.05488	100.0
81.03410	6.5
81.07048	51.8
83.04974	23.3
83.08603	11.8
85.06538	2.7
91.05473	42.1
93.07035	58.9
95.01286	1.7
95.04962	14.1
95.08601	22.6
96.08961	1.3
97.06512	7.6
97.10162	11.4
99.08083	1.9
105.07018	45.3
107.04940	27.8
107.05611	2.2
107.08588	52.7
108.08929	2.0
109.06495	7.4
109.10135	23.5
111.08073	5.1
115.05446	3.7
116.98558	1.7
117.07013	13.0
119.08577	29.4
121.06486	3.8
121.10137	23.4
123.08083	2.0
123.11704	5.2
125.09634	12.2
129.06955	3.3
131.08546	20.8
133.10114	22.1
134.10493	1.6
135.08035	8.7
135.11703	5.9
137.09616	2.4
141.06989	2.8
143.08537	2.2
145.10098	13.5
147.11668	15.8
149.09604	48.1
149.13203	3.9
151.11160	1.6
153.09087	4.0
155.10683	1.5
157.10129	4.2
159.11711	10.7
161.13257	5.5
163.11218	5.2
163.14793	4.2
169.10144	3.5
171.10152	2.2
171.11693	3.0
173.11729	4.4
173.13284	5.9
175.14880	1.9
177.12756	4.3
179.14342	3.3
187.11273	3.8
189.11235	4.5
191.14331	2.7
197.13297	2.9
205.12227	1.5
209.15379	5.8
215.17743	1.5
229.19467	3.5
231.09039	1.6
239.18102	2.1
243.09000	1.5
244.56361	1.4
247.20609	3.9
257.18988	8.8
275.20044	42.4
276.20364	2.8
331.15845	3.5
349.16718	5.1
349.19827	3.2
349.23642	35.8
350.23993	2.5
367.18048	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	349.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.9
57.03423	1.5
57.07069	1.5
67.05495	3.7
69.07055	4.2
71.22222	2.3
73.70782	0.9
74.79321	0.9
76.99409	1.0
79.05475	4.3
81.07047	4.2
85.80492	0.9
91.05457	3.2
93.07021	3.2
95.04951	1.1
95.08600	2.8
97.06578	1.3
102.01780	1.0
105.06987	2.4
107.08554	2.1
109.06529	1.9
117.07042	1.0
119.08547	2.2
121.10111	1.4
123.08046	2.4
125.00243	0.9
131.08554	1.9
133.10153	2.0
145.10019	2.2
157.03978	1.2
157.10136	1.2
159.11609	1.4
179.14334	3.2
182.49010	1.0
257.18961	1.1
273.37637	1.2
275.20074	1.9
275.80682	1.2
340.22122	0.9
349.23465	100.0
349.26898	3.8
350.23834	4.9
353.60068	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	349.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85761	0.9
55.05499	3.0
56.03862	1.1
56.96554	1.5
57.03412	1.7
67.05510	5.3
67.35093	1.0
68.34179	0.9
69.07041	4.3
69.35047	9.8
79.05476	4.6
81.07043	6.3
83.08610	1.8
83.59934	0.9
85.66620	1.0
90.77509	1.0
91.05460	5.1
93.07016	3.2
95.04938	2.0
95.08588	5.2
97.06507	1.5
98.74614	1.0
105.07008	5.2
107.04926	1.5
107.08595	4.9
109.06483	2.6
109.10146	2.2
119.08577	3.7
121.10123	1.1
122.92892	1.2
123.08040	4.0
131.08583	1.3
133.10132	2.7
135.11729	1.8
145.10123	2.5
147.11694	1.3
149.09537	1.1
159.11768	1.4
159.16736	1.1
171.11652	1.5
179.14279	4.1
193.04720	1.1
251.43283	1.0
275.20035	3.9
279.75101	1.1
293.21118	1.2
319.67868	1.3
349.23441	100.0
349.27072	5.2
350.23819	4.4
370.38922	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	349.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.2
57.07053	1.0
67.05487	1.4
69.07055	1.6
71.22341	1.0
79.05498	2.0
81.07047	2.5
88.11267	1.2
91.05465	1.5
93.07025	1.6
95.08586	1.5
97.10165	0.5
105.07027	1.6
107.04959	1.4
107.08602	2.5
109.06526	0.8
109.10156	0.6
117.07007	1.0
119.08577	0.9
119.10081	0.5
121.10107	0.6
123.08073	1.0
131.08607	0.7
133.10127	1.1
145.10153	0.6
147.08032	0.5
147.11676	0.8
149.09592	0.5
157.10213	0.5
179.14333	2.0
235.13078	1.4
236.16502	0.7
237.16829	1.4
249.14532	0.8
275.20090	1.4
280.65845	0.6
293.23004	2.1
349.23495	100.0
350.23886	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	349.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
57.03433	0.6
59.15893	0.4
67.05485	1.4
69.07053	1.1
69.89513	2.3
79.05486	1.6
81.07047	1.8
81.47256	0.4
91.05469	1.5
93.07037	1.2
95.08595	1.3
97.06515	0.5
98.21457	0.7
105.07024	1.1
107.08566	1.4
109.06499	0.8
109.10138	0.6
117.07034	0.5
119.08546	0.8
121.10161	0.7
123.08037	1.1
123.11766	0.6
145.10098	0.8
149.09595	0.6
179.14296	1.6
235.13023	0.7
249.14606	0.7
273.98096	0.5
275.20099	0.9
349.23477	100.0
349.26855	3.7
350.23660	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	349.1983
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
55.01867	1.5
55.05496	1.9
56.96561	0.8
57.03423	1.8
58.06593	0.6
61.29665	0.5
67.05510	4.7
69.07065	3.7
70.26503	2.5
71.04981	0.5
72.93758	0.7
73.02901	0.5
79.05495	5.5
81.03404	1.9
81.07048	5.6
83.04984	0.8
83.08582	1.5
86.09718	0.5
88.62378	0.6
91.05483	4.0
93.07024	3.4
95.04972	1.8
95.08586	2.6
96.08127	1.1
97.02885	1.0
97.06529	1.9
105.07019	5.2
107.04956	1.0
107.08608	3.5
109.06543	0.7
109.10130	1.5
117.07026	1.3
119.08599	3.6
121.10088	1.0
123.08102	0.8
127.77639	0.4
129.06989	0.8
129.62985	0.6
131.08568	2.3
133.10092	2.7
135.08076	0.6
135.11681	1.3
137.05743	0.6
141.07043	0.5
143.08524	1.1
145.10139	2.0
147.11661	1.9
149.09607	1.3
149.13240	0.5
151.11168	0.8
159.11649	1.5
161.13309	0.5
163.11217	0.7
169.02570	1.0
169.10150	0.6
173.13258	0.9
221.11459	0.6
253.12782	1.0
257.12085	0.7
257.19107	1.1
261.14618	1.4
268.10193	0.6
269.12155	0.6
275.20071	3.8
280.12732	2.9
289.74066	0.6
327.09113	0.7
331.17426	0.8
349.19839	100.0
349.23251	4.2
350.20047	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	349.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75353	0.5
55.01874	0.6
55.05499	2.0
56.05033	0.7
56.94281	0.5
56.96558	0.5
57.03425	1.2
57.05014	0.4
58.99590	1.2
60.04522	0.6
69.03424	1.2
69.07062	0.7
70.06589	13.1
70.91948	0.8
70.95856	1.8
72.08152	2.9
72.93785	3.1
73.02890	0.6
73.06537	0.8
74.06097	0.6
76.02220	0.6
77.00890	0.9
79.05463	1.5
80.05822	0.4
81.03415	1.1
81.04533	0.6
81.07057	5.8
83.04977	0.7
84.04493	5.0
84.08141	3.5
85.02896	1.4
85.04837	0.8
86.09713	2.6
86.89489	0.5
86.99046	0.7
87.02678	1.4
90.94823	2.9
91.05476	1.0
95.01944	1.3
95.08570	0.6
97.02872	1.1
98.09621	0.5
99.08080	1.3
103.05461	0.5
108.04471	0.7
108.05593	3.8
108.95848	1.0
109.02841	0.5
110.07153	1.9
114.94878	0.6
116.07039	0.8
118.94342	0.4
119.01890	1.0
119.04118	0.5
119.04958	1.8
120.05562	1.4
120.08063	0.9
122.02744	2.6
122.06032	0.7
124.07593	0.7
125.06985	0.5
128.96288	0.6
129.10258	1.9
131.01889	1.5
131.04930	1.4
131.08618	0.8
132.95818	7.5
134.97308	0.6
136.05045	4.5
136.07588	1.0
144.95827	1.9
145.03470	0.7
146.97411	0.9
147.04408	4.7
150.96887	6.7
158.97412	2.9
162.96899	2.1
163.00525	0.9
167.79762	0.5
171.04378	1.2
173.03032	0.8
174.96887	9.0
176.98453	1.9
177.11362	1.7
183.14609	0.5
185.04160	1.8
186.96837	2.0
187.00581	0.9
187.03706	2.4
188.98503	1.8
189.05463	2.4
190.07104	0.6
192.97943	1.3
195.11313	0.8
197.06686	0.6
198.96939	1.3
200.98462	1.0
202.08943	2.2
203.07355	1.0
204.97891	0.8
205.01564	4.3
205.03236	0.7
205.10918	1.2
206.12915	2.0
213.14029	0.5
215.09262	0.6
216.97934	4.0
219.04951	0.5
223.04558	1.0
229.03442	1.0
229.75194	0.6
233.10336	2.4
234.12314	1.3
234.98979	1.8
247.02588	1.0
247.04567	4.0
258.99042	0.9
259.04642	0.8
262.12015	0.5
265.05566	5.4
277.00095	1.9
277.05612	1.2
283.06534	1.3
289.05579	0.9
295.06757	0.9
301.05695	0.8
307.06525	2.4
313.12015	0.8
313.16602	2.1
331.12997	1.9
331.17609	12.1
349.08932	100.0
350.09244	2.1
367.08658	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	349.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.6
55.93504	3.3
56.05022	1.5
56.94292	4.8
56.96547	2.2
68.94318	1.3
69.03413	3.9
69.07055	6.5
70.06244	1.5
70.06589	19.1
70.95852	4.9
71.92992	1.8
72.08143	2.8
72.93389	1.8
72.93778	22.6
73.06553	1.4
79.65314	1.3
81.03400	1.5
82.46437	1.3
83.68259	1.2
84.04472	1.8
84.08161	7.6
85.02890	3.1
86.09686	2.7
88.96886	3.9
90.94812	20.0
91.05482	1.9
95.26787	1.4
97.02872	2.3
97.06520	3.3
98.97561	1.5
104.96362	1.3
108.95842	6.9
110.07149	13.4
114.94922	1.2
115.87943	1.2
116.96325	1.6
120.08074	1.9
128.95294	1.1
128.96324	4.3
129.10222	3.5
130.97874	1.3
132.94836	1.7
132.95816	25.2
134.97380	2.4
136.07535	1.3
136.95296	3.6
140.96341	1.4
144.95815	13.7
146.97382	3.1
147.04414	4.2
148.99013	1.4
150.96892	17.0
158.97382	38.8
161.02661	1.4
162.96884	16.2
168.95865	6.2
169.07587	1.5
170.97432	2.2
174.96838	7.1
176.98436	23.2
179.04846	1.7
185.02495	1.3
186.96886	10.2
187.00522	3.9
188.98424	3.2
198.96892	3.7
204.97964	5.8
205.01532	6.8
205.10837	2.9
216.97923	22.2
223.41188	1.4
229.01498	11.6
234.98976	99.2
235.11888	14.6
235.99327	3.1
241.01523	3.1
247.02509	16.0
247.04660	2.3
252.99991	20.0
255.03070	1.9
258.00598	3.9
259.02554	4.9
271.02505	3.7
283.02649	2.0
289.03476	2.1
313.03717	2.0
331.04718	100.0
331.17621	2.2
332.04855	3.4
349.05612	19.4
349.09036	11.3
349.13034	2.6
349.13885	2.3
349.18579	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	348.2741
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
51.12371	0.4
53.03933	1.0
55.01867	1.0
55.05505	5.1
56.05027	5.5
56.96555	1.7
57.03432	2.0
57.07059	1.0
58.02945	0.7
58.06589	0.5
60.04517	100.0
61.02911	0.8
61.34688	0.4
63.84900	0.4
67.05495	8.2
68.05014	0.7
69.03426	1.5
69.07056	6.0
70.06579	2.2
70.66192	1.2
71.04982	1.5
71.08624	0.6
72.04510	0.9
72.08145	0.9
73.02909	0.8
74.06069	2.7
79.05486	6.4
80.05015	1.5
81.03415	2.3
81.07043	10.4
82.06555	2.1
83.04987	0.9
83.08606	3.5
84.08102	0.8
85.02899	2.0
86.06046	1.0
90.05548	1.5
91.03934	0.5
91.05468	4.8
93.07030	6.8
94.06567	1.3
94.07359	0.5
95.04958	2.0
95.08595	8.7
96.08122	1.7
97.02883	1.8
97.06520	1.8
97.10162	1.7
98.97571	0.5
100.07591	0.5
105.07015	4.1
107.04891	1.0
107.08565	4.0
107.61694	0.5
109.02830	0.5
109.06493	1.2
109.10149	4.0
111.08064	0.9
117.07012	1.1
119.08540	3.0
120.08080	1.3
121.06436	0.5
121.10120	3.7
123.08070	1.0
123.11694	1.1
125.09578	0.5
127.03892	0.7
129.07028	0.5
131.08577	2.0
133.10112	2.5
135.11670	2.1
136.06186	1.1
137.09578	1.4
137.13239	0.7
141.06863	0.4
145.10117	1.7
146.69385	0.4
147.08022	0.4
147.11678	1.8
149.09659	1.3
149.13237	0.9
151.07573	1.0
157.10062	0.8
159.11688	0.6
161.13326	0.7
163.11215	0.6
165.09061	0.7
166.15829	0.5
169.99126	0.4
173.13315	0.6
175.11255	0.4
177.12660	0.4
179.08577	0.4
185.13287	0.4
193.12268	0.8
211.13031	0.6
212.61537	0.4
247.20595	0.4
248.23712	0.8
250.21724	0.6
256.08832	0.4
257.19040	0.8
264.23141	1.0
266.24753	0.8
267.08957	1.6
269.12427	0.7
275.20020	0.8
276.23218	5.0
277.21475	2.1
282.24249	1.5
285.09637	2.3
294.24249	13.3
295.22598	0.8
302.17511	0.6
312.25272	8.5
330.26349	15.8
331.26886	0.6
348.27396	53.5
349.23752	0.7
349.27753	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2744
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03934	0.8
55.01865	0.6
55.05515	3.6
56.05035	4.0
56.96571	0.6
57.03430	1.4
57.07076	0.7
60.04523	100.0
61.04845	0.5
62.06092	0.4
65.03939	0.6
67.05502	12.5
68.05025	1.1
69.03403	0.8
69.07062	3.1
70.00433	1.8
70.00848	0.7
70.06586	3.6
71.04992	1.0
72.04529	2.1
72.08148	0.4
74.06078	2.4
77.82249	0.5
79.05492	8.0
80.05021	1.7
81.03422	2.9
81.07054	12.2
81.07514	0.9
82.06572	2.0
83.04985	1.9
83.08625	1.6
83.11343	0.4
84.04488	2.0
84.08145	1.2
85.02889	1.2
85.06536	1.2
86.06074	1.0
86.09706	1.2
90.05551	1.6
90.88910	0.4
91.05478	8.5
93.07043	9.5
94.06561	2.1
95.04966	2.0
95.08601	9.7
95.39503	0.4
96.08144	0.9
97.02930	0.5
97.06549	1.1
98.06071	0.9
98.97594	1.3
99.08088	0.8
100.07646	0.5
105.07031	4.5
107.08603	5.2
108.08133	0.5
109.06491	0.8
109.10155	3.3
111.08060	1.0
112.07579	0.8
116.07077	0.9
116.98606	0.9
117.07025	1.6
119.08563	4.2
120.08114	1.9
121.06518	1.0
121.10130	4.5
123.08041	0.6
123.11725	0.7
124.07574	0.4
125.09599	1.0
128.06146	0.5
129.07005	1.3
130.05005	0.6
130.08646	1.7
131.00139	0.9
131.04819	0.6
131.08566	2.9
132.08136	0.6
133.10127	2.8
134.09692	0.4
135.08061	0.6
135.11658	2.6
136.06232	0.5
136.07584	1.0
137.09607	0.9
143.08548	0.8
145.10103	2.7
147.03043	0.4
147.11682	1.7
149.01222	1.2
149.09659	1.0
149.13255	1.0
156.03523	0.5
157.10088	0.9
158.99678	0.7
159.09239	0.6
159.11694	1.4
160.07558	3.1
161.13303	1.2
171.11739	0.8
173.13223	0.8
175.14807	0.5
177.00627	0.6
185.13199	0.4
193.12196	0.8
202.08609	5.0
203.18010	0.7
211.13377	0.5
219.11290	0.8
228.05824	0.4
234.98975	0.6
243.08794	2.1
258.22098	0.8
259.20648	0.7
264.23178	0.9
268.10651	1.4
276.23126	4.2
294.24295	5.7
312.25311	8.5
324.11456	5.7
330.26373	26.4
331.26831	1.1
340.12747	0.6
348.27417	51.6
349.27707	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	348.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01866	0.7
55.05511	3.8
55.49752	0.3
56.05031	3.8
56.96552	1.2
57.03435	1.5
60.04520	100.0
61.02924	1.0
61.04847	0.7
65.03936	0.5
67.05499	12.4
68.05010	0.9
69.03419	1.0
69.07068	2.8
69.55048	0.6
69.55453	2.3
70.06584	3.2
71.04992	1.5
72.04515	1.6
72.08158	1.3
73.02914	0.5
74.06084	2.3
79.05486	8.9
80.05015	1.0
81.03411	2.7
81.07047	12.2
81.07516	0.8
82.06567	2.5
82.07387	0.5
83.04991	1.2
83.08591	1.8
84.04506	1.1
84.08124	0.8
85.02893	0.8
85.06544	1.7
86.06064	0.9
86.09711	1.1
90.05556	1.9
91.05466	7.6
93.07031	9.6
94.06570	1.9
95.04964	2.5
95.08601	7.8
96.08131	1.6
97.02895	1.1
97.06532	1.7
98.06042	0.7
98.21606	0.5
98.97585	1.4
99.04448	0.7
99.08116	0.7
99.08752	0.4
100.07640	0.8
100.11268	0.6
102.05520	0.8
103.05473	0.5
103.81602	0.4
105.07009	4.7
106.07382	0.4
107.08578	5.0
108.08118	0.5
109.02906	0.4
109.06516	1.0
109.08842	0.4
109.10138	3.9
109.85042	0.4
110.06030	0.5
110.09735	0.4
111.08087	0.7
112.07600	1.2
115.05419	0.4
116.07090	1.0
116.98650	0.9
117.07012	1.6
119.08562	3.5
120.08101	2.0
121.06523	1.4
121.10127	4.4
122.09668	0.5
123.08088	1.0
123.11714	1.4
126.09228	0.4
129.07025	1.3
130.08638	1.7
131.00203	0.6
131.08537	2.8
133.06490	0.5
133.10115	3.1
134.99597	0.8
135.11673	2.9
136.07564	1.6
137.09572	0.9
143.08514	0.7
145.10124	1.9
147.04402	0.5
147.11690	2.5
149.01233	1.2
149.13272	1.1
156.03560	0.4
157.10121	0.9
158.99661	0.6
159.08278	0.6
159.11703	1.7
160.07599	1.2
161.05952	0.6
161.13205	0.8
163.14835	0.5
167.02228	0.4
171.11658	0.6
173.13208	1.1
175.11171	0.7
175.14830	0.9
176.14288	0.5
177.00706	0.9
182.08099	0.4
185.13182	0.8
187.14728	0.5
189.12573	0.4
189.16481	0.5
191.02321	0.4
193.12209	0.9
199.14815	0.6
202.08620	1.1
203.17946	0.8
211.13362	0.5
217.19470	0.7
219.11447	0.4
228.05627	0.6
240.08453	0.4
241.19586	0.7
243.08771	3.4
252.23282	0.5
258.22250	0.7
259.10211	0.5
264.23395	0.7
268.10626	1.6
270.24435	0.4
276.23221	3.7
294.24252	6.1
312.25293	9.6
324.11438	8.1
330.26355	27.4
331.26547	0.8
341.87555	0.4
348.27402	55.5
349.13309	1.2
349.27661	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	347.2189
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.01843	0.4
55.05505	0.7
56.96555	1.0
57.07058	1.9
58.89617	0.4
62.16397	0.4
65.19171	0.4
67.05479	0.7
69.07057	0.6
69.43410	3.8
70.06604	0.5
71.08625	1.0
79.05479	1.1
81.07061	0.9
83.08607	0.6
91.05484	0.9
93.07054	0.6
95.04939	0.6
95.08601	0.7
105.06999	1.1
107.08577	0.8
109.06493	0.5
119.08561	0.6
131.08543	0.7
133.10107	0.8
145.10094	0.5
149.01251	1.0
149.02357	0.6
152.02676	0.4
156.03595	0.5
158.99654	0.5
167.02237	0.5
192.09207	0.4
193.04947	1.8
224.65627	4.3
225.15828	1.1
249.14772	0.6
265.14005	0.5
301.14883	0.5
347.17618	3.8
347.21881	100.0
347.67288	1.1
347.77579	0.6
348.22177	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	348.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74370	2.5
53.03928	3.0
55.01869	2.5
55.05502	8.2
56.05029	10.7
56.96559	3.5
57.03424	3.7
58.99577	13.1
60.04521	18.1
61.01147	8.7
67.05511	11.6
68.62489	2.4
69.03423	9.0
69.07069	6.0
69.34773	2.3
69.78147	14.7
70.06578	22.2
71.04982	15.9
72.08152	31.0
74.06099	3.2
76.02227	22.3
79.05499	9.4
81.03397	4.0
81.07037	14.0
82.06599	3.3
83.04991	3.3
84.04489	13.2
84.08145	18.9
85.06567	4.6
86.09708	22.7
86.92296	2.5
86.99047	7.7
87.02689	3.7
87.34353	2.7
88.03999	4.3
90.05513	2.3
91.05473	18.6
93.07047	36.7
95.04987	15.2
95.08583	12.5
97.06515	5.5
98.21458	5.3
99.04445	8.9
102.05516	4.8
103.05501	2.7
104.05308	11.9
105.00085	13.0
105.06371	4.2
105.07027	49.4
107.08591	36.4
108.04504	2.6
109.06508	9.1
109.10137	3.5
110.07166	10.5
110.09656	3.6
111.02668	3.6
113.05997	10.3
116.10712	7.7
117.07004	13.6
119.04977	5.6
119.08545	6.9
120.08081	14.5
121.06512	11.2
121.08411	6.1
121.10136	9.4
122.02720	100.0
123.08080	4.1
129.10251	5.3
130.06546	2.6
130.07784	3.2
131.08600	3.3
133.10123	22.9
135.08049	23.6
135.11650	4.4
136.06189	5.7
145.10107	29.3
146.06020	3.2
147.04413	9.3
149.09607	4.2
158.09949	12.8
159.06525	4.8
160.07553	2.5
161.09621	9.1
163.11171	41.6
168.06583	4.0
169.63522	2.5
173.09567	6.0
174.05479	6.0
179.10638	31.8
190.07159	3.0
191.10654	25.5
202.08813	4.1
203.12114	26.8
204.06529	2.5
209.11726	6.2
231.11682	7.8
241.00673	2.9
284.09256	3.4
330.26120	5.7
348.12503	3.7
348.22168	3.1
348.26651	7.4
349.13602	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	347.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
55.05507	7.0
56.05033	18.6
56.96550	11.4
57.03417	4.4
58.06582	4.7
60.04519	26.7
61.02905	3.0
62.24959	1.9
65.02547	1.9
65.47634	1.9
69.03423	9.1
69.04524	2.7
69.07046	5.1
70.02934	2.2
70.06596	20.6
70.89919	5.4
71.04989	3.8
72.08152	66.7
72.93782	2.6
73.02906	5.2
73.08480	4.4
74.02426	3.6
74.06078	28.8
76.48341	1.8
83.06112	19.2
84.04500	57.4
84.08141	52.7
85.02901	20.7
85.08463	2.4
86.06052	6.3
86.09702	100.0
87.04472	2.5
87.05602	13.6
87.09982	2.2
88.03987	6.5
94.06522	2.2
95.04987	4.8
96.04505	2.5
97.02896	14.0
98.06024	3.4
98.09673	3.4
98.97564	5.1
99.04478	2.4
100.07597	3.0
101.07135	27.4
101.10754	2.1
102.05555	8.9
104.07085	4.0
106.05029	16.4
107.04949	6.6
109.02847	3.5
113.03534	3.6
113.07151	2.4
114.09105	2.1
116.98589	2.2
118.08668	5.7
119.01877	5.4
123.04417	62.2
126.05527	3.4
126.09088	2.9
127.03899	5.6
128.10704	7.0
129.06586	7.5
129.10222	32.6
130.05000	32.4
130.06526	5.2
130.08615	5.6
131.08185	4.3
132.10188	3.6
132.95818	2.0
133.06079	21.4
134.99638	5.1
136.06172	24.2
136.07280	3.1
136.07466	2.8
137.07097	2.3
138.05521	2.8
140.07039	4.9
141.06584	3.8
142.12250	7.7
143.11806	6.5
144.04054	2.3
145.04974	4.0
146.97316	3.7
147.04411	2.5
147.07626	40.6
147.11276	6.6
151.03889	14.1
155.11842	3.5
157.06212	3.5
157.07602	6.6
159.07643	2.9
161.03027	2.2
162.07497	2.6
169.04932	28.7
169.06111	2.3
169.07507	3.8
169.13417	3.5
171.14929	2.7
172.15300	5.0
173.12842	33.8
177.00711	3.5
185.02750	2.5
185.09209	8.9
185.79115	2.1
187.14407	71.2
196.14464	9.3
197.06941	3.8
197.12839	11.2
200.14594	2.4
201.12289	11.0
203.03976	2.8
214.06195	2.6
214.15509	4.5
215.13881	25.7
216.09807	4.1
216.13474	2.8
217.08221	2.4
223.01303	3.1
224.13911	3.9
225.06596	2.6
225.12328	2.8
230.11240	2.5
234.98926	3.0
237.02818	2.7
240.13382	2.4
246.14430	3.3
259.08353	6.5
303.10950	2.2
312.15411	2.4
329.11691	2.3
329.18170	14.7
347.09033	11.2
347.13354	13.4
347.22684	8.5
348.13110	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	347.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.5
55.05496	0.9
56.96551	0.6
57.03406	0.5
60.04522	3.7
65.03933	4.4
67.05502	6.7
67.24487	0.5
68.04990	0.6
69.03418	0.9
69.07067	0.9
69.79030	2.9
70.06594	3.2
71.04996	0.8
72.08148	5.0
72.93785	0.6
73.08487	0.7
74.12733	0.5
79.05505	1.2
81.03405	0.9
81.07046	1.8
82.06567	1.0
83.04997	0.6
84.04501	0.9
84.08137	4.3
85.02905	1.5
86.06100	0.7
86.09710	3.6
88.04002	0.6
91.05487	1.4
92.04999	14.4
93.07053	0.9
94.06553	1.2
95.04996	2.6
95.08591	1.7
96.04482	1.8
97.02890	0.8
97.06512	1.0
104.05746	0.6
106.06549	0.5
107.04958	0.6
107.08592	0.7
108.04482	1.1
109.06492	0.5
110.06023	1.8
111.04414	1.0
118.06544	0.5
120.04458	6.8
120.08096	1.7
121.10143	0.8
122.06001	3.3
124.07582	0.7
124.54346	0.5
127.93562	0.5
129.07027	0.5
129.10242	1.5
130.06566	0.6
132.10201	0.6
133.10066	0.6
134.05997	2.5
136.06094	0.6
136.07584	2.3
137.05963	1.2
138.05496	12.7
140.07053	0.6
142.08630	0.9
142.10606	0.5
143.07381	0.7
143.08540	0.9
144.08066	0.9
146.06018	1.4
148.03911	0.8
148.07466	0.6
153.06921	1.1
155.08543	0.8
156.07957	0.6
158.06009	1.0
160.07591	0.8
162.05498	1.7
164.07076	8.8
166.05006	11.2
167.08542	0.7
168.08131	1.0
169.08774	1.1
170.05968	0.6
170.09627	3.3
172.07564	1.3
176.07077	1.8
177.05659	0.7
180.08047	1.4
182.08142	8.3
182.09708	0.7
183.06798	1.5
184.06143	1.1
184.07626	1.0
184.11249	1.6
185.07071	1.0
185.10686	1.2
186.09251	1.1
187.10818	2.5
188.11124	1.8
194.09738	1.1
196.07588	1.9
197.08359	0.9
198.07642	1.1
198.09184	11.3
199.08636	5.0
200.09444	1.8
201.10262	1.6
201.12337	0.5
208.06007	4.4
209.10876	0.7
210.09131	1.7
212.10767	3.2
213.06606	2.1
213.10210	9.4
214.08647	3.5
214.10944	1.4
215.08215	2.3
216.10374	0.9
224.07114	1.5
225.07890	0.7
225.10222	0.5
226.06691	1.0
226.08682	18.2
227.08080	6.3
227.11598	2.6
228.08911	1.4
229.09732	2.0
231.11378	1.8
234.98929	0.7
237.10361	0.6
238.08598	2.2
239.11737	1.1
240.10262	5.0
241.09715	28.1
242.08138	1.4
242.10428	4.2
245.09003	0.7
247.10896	0.6
251.08139	0.6
255.11296	6.4
256.09625	5.0
257.09283	1.4
258.08932	0.7
258.11313	3.0
259.10809	5.4
260.11499	2.4
265.09741	1.8
266.08102	1.0
267.11258	4.1
268.09735	9.1
269.09207	8.7
273.12167	1.2
275.10098	0.8
283.10770	6.0
284.09052	4.9
286.10730	6.6
287.10223	16.4
293.09253	1.4
294.07755	0.7
301.08432	1.0
301.11823	16.4
301.15128	1.1
302.09937	0.8
311.10233	5.3
311.24207	0.7
312.08582	1.1
319.12860	7.0
329.07632	1.0
329.11224	6.1
329.14813	0.6
329.25101	0.7
330.09702	0.8
332.63239	0.5
347.12366	100.0
347.26044	3.7
348.13049	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	347.1236
Annotation	Miraxanthin V
Peak:m/z	Relative Intensity
53.03939	1.3
55.01880	3.9
56.96547	1.3
58.41145	0.6
60.04515	0.9
65.03924	0.9
67.05498	3.1
67.97432	0.6
69.03423	1.2
69.07049	1.0
69.48359	0.6
69.50936	4.0
69.51347	1.3
70.06590	1.4
72.08128	0.9
74.38036	0.7
79.05488	1.9
81.03406	1.1
81.07043	3.5
83.80771	0.7
84.08140	1.6
85.02910	1.4
86.09705	1.1
87.04467	0.8
91.05468	5.1
93.05795	1.1
93.07046	4.2
94.06558	1.7
95.04977	3.5
95.08595	1.9
96.08118	1.9
97.02902	1.0
97.06538	0.9
105.07020	1.7
107.08601	1.5
108.04475	1.6
108.08112	1.4
109.10144	1.6
110.06052	0.9
110.09735	0.7
116.98602	1.0
119.08661	0.8
120.08099	2.0
122.06030	5.6
124.07579	12.2
126.05494	2.5
129.06998	0.8
131.08546	0.9
133.10162	0.8
136.07568	98.4
137.05957	1.1
137.07950	1.3
138.05475	0.9
138.09096	3.3
140.07043	1.6
144.95827	0.8
145.10175	0.7
150.05493	1.8
152.03430	1.6
152.07054	20.9
156.08156	0.9
160.03917	0.9
161.04654	1.1
162.05557	0.8
164.07054	75.8
165.07379	1.1
167.07164	1.1
168.08023	0.7
170.09595	0.8
171.09213	1.0
172.07591	1.3
176.07027	1.7
177.09081	0.8
178.04994	4.1
182.05992	0.8
182.08093	0.9
182.09587	1.0
184.06238	1.0
185.07068	2.7
186.09227	1.3
187.04990	1.5
195.09288	0.9
197.07037	1.5
198.07666	0.9
199.08656	5.9
200.09354	0.9
201.06514	3.3
201.10281	2.1
205.06133	1.2
209.10759	0.8
210.09099	1.3
211.08652	2.2
212.09241	2.5
213.06599	5.2
213.10201	5.3
214.08730	0.8
215.11856	1.0
219.07610	1.0
220.09731	1.6
223.08560	1.2
224.09142	9.5
227.08121	8.3
227.11635	4.4
228.10268	1.5
229.09729	4.7
229.13394	1.1
231.07625	4.4
237.10223	2.6
238.08566	2.0
239.08145	2.3
239.11818	1.3
241.09683	6.0
243.07663	1.3
245.09219	0.9
251.08133	1.3
254.10706	0.9
255.07642	11.8
255.11295	7.1
257.09265	2.0
259.07132	1.7
259.10831	1.4
265.09763	3.8
266.08069	0.9
267.07700	1.9
269.09183	9.0
273.08713	7.0
273.12048	1.4
275.10114	0.9
283.07602	0.9
283.10751	21.7
284.11426	0.9
287.10284	3.8
287.13898	4.2
293.09201	5.6
301.11801	4.3
311.10229	41.9
312.10657	2.1
319.12869	2.4
319.16360	1.1
329.11295	71.0
330.11600	2.7
347.12363	100.0
347.16260	5.1
348.12753	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	347.1235
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01868	5.7
55.05511	0.7
67.05502	0.8
69.07055	0.8
70.06598	0.8
70.86590	1.4
72.08184	0.7
78.66759	0.6
79.05490	0.7
84.23543	0.6
91.05521	0.6
93.07060	0.8
94.06537	0.5
97.06557	0.7
98.20721	0.7
108.04486	1.0
110.06059	1.7
120.08078	0.8
129.07043	0.8
130.06464	0.8
134.06068	0.9
136.07602	0.6
138.05464	1.0
144.08055	0.8
152.03424	2.2
156.08023	1.1
157.07596	0.7
158.06006	0.7
158.09753	0.7
160.03984	1.2
161.04727	1.1
162.05528	1.9
164.07164	0.6
168.06659	0.8
168.08104	1.1
170.08305	1.4
170.09695	1.0
171.09120	1.2
172.07616	0.8
173.10707	0.7
176.07080	1.3
178.04950	3.4
182.09692	0.9
183.09189	1.2
184.06230	1.4
184.07672	1.4
184.11304	0.7
185.07071	3.2
185.10735	1.8
186.09203	1.3
187.05017	3.1
195.09244	0.7
196.07692	1.2
197.07111	1.5
198.07710	0.9
198.09319	1.0
199.08638	7.2
199.12241	0.7
200.09297	1.2
201.06546	5.6
201.10213	1.7
202.08598	0.9
205.06078	1.7
209.07019	0.6
209.10785	1.0
210.09187	1.8
211.08679	2.5
211.12239	0.8
212.07201	0.7
212.09004	0.7
212.10889	1.2
213.06587	7.6
213.10130	5.8
215.08206	0.7
215.11838	0.8
219.07611	1.1
222.07733	0.9
223.08572	1.4
225.06578	1.1
226.07260	0.9
227.08141	10.9
227.11670	3.9
228.06636	0.8
228.08504	0.9
228.10385	0.8
229.09694	5.1
231.07625	5.9
237.10242	3.1
238.08655	2.7
239.08089	3.2
239.11835	0.9
241.06123	1.3
241.09703	8.2
243.11298	1.6
244.08463	0.6
245.09145	3.0
250.07248	1.2
251.08128	1.2
254.06836	0.8
255.07658	15.1
255.11276	8.8
256.09836	0.8
257.09161	3.5
257.12860	1.6
259.07114	1.6
259.10791	1.6
265.09689	6.3
266.08090	1.6
267.07681	2.6
267.11380	0.6
268.10028	0.6
269.09186	13.6
270.09616	0.7
273.08694	6.5
273.11871	1.3
274.09262	0.7
275.10190	1.6
275.13681	1.3
283.07422	1.5
283.10730	28.5
284.11237	1.0
285.08972	0.7
285.12326	1.2
287.10266	4.2
293.09171	9.0
301.11789	6.1
303.13391	0.6
311.10226	52.9
312.10782	3.9
319.12921	2.2
329.11285	93.3
330.11612	5.7
347.12335	100.0
348.12650	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	347.1235
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01872	2.9
55.05503	1.1
56.96552	0.7
60.04509	0.7
64.90274	0.5
65.03928	5.5
67.05499	5.9
68.05015	0.8
69.03400	1.2
69.07056	1.8
69.66499	1.2
69.66907	2.5
70.06585	2.3
71.04983	0.9
72.08128	2.2
79.05475	1.6
81.03429	1.2
81.07036	2.0
82.06564	0.6
83.04978	0.6
83.08578	0.6
84.04510	0.5
84.08131	1.1
85.02905	0.6
85.06527	1.1
86.06094	0.7
86.09679	2.8
88.07623	0.7
90.20577	0.5
91.05446	2.5
92.04999	13.8
93.07031	1.8
94.06552	1.9
95.04971	3.1
95.08582	1.4
96.04465	2.5
97.06509	1.0
105.07063	1.1
107.04944	0.7
107.08564	1.5
108.04475	0.9
108.08131	0.5
109.06495	0.6
110.06001	1.7
111.04414	1.0
117.07049	0.7
119.04926	0.7
119.08557	0.7
120.04453	7.8
120.08116	0.6
121.06545	0.6
121.10129	1.0
122.06030	2.5
123.08021	0.6
125.09606	0.7
129.06964	0.7
131.08545	1.2
133.10179	0.5
134.06033	1.5
135.08006	0.9
135.20186	0.5
136.07547	1.7
137.05966	1.4
138.05495	12.8
143.08504	1.0
145.10176	0.6
146.06003	1.6
147.04439	0.7
148.03914	0.7
148.07483	0.9
149.09579	0.6
153.06963	1.2
155.07260	0.6
155.08481	0.5
156.08096	0.6
158.06058	1.0
158.97379	0.6
159.09090	0.5
162.05449	0.9
164.07069	9.3
165.06999	0.7
166.04994	10.5
168.08031	0.6
169.08817	0.6
170.09694	3.3
172.07590	1.4
176.07062	2.2
180.08099	1.5
182.08134	8.4
182.09645	0.5
183.06755	1.2
184.07559	1.0
184.11186	1.6
185.10730	1.7
186.09103	1.3
187.08662	1.4
187.12373	0.6
194.09674	0.7
196.07576	1.5
197.08356	0.8
198.09169	12.3
199.08521	4.4
200.09402	1.4
201.06522	1.0
201.10168	2.0
208.06081	1.3
209.10759	0.6
210.09154	1.2
211.06329	0.7
212.06932	1.1
212.10814	2.9
213.06470	2.8
213.10170	8.9
214.08624	2.9
214.10942	2.4
214.96013	0.5
215.08160	1.5
217.09657	0.6
222.09319	0.5
223.08687	0.9
224.07042	1.3
225.07774	0.9
226.08693	17.2
227.08104	6.2
227.11632	3.0
228.08875	1.8
229.09656	1.8
231.11235	1.2
235.85059	0.5
237.10204	1.2
238.08611	2.4
239.08200	0.8
239.11807	0.8
240.10280	4.7
241.09695	29.1
242.08150	0.6
242.10332	4.5
255.08418	0.8
255.11259	7.1
256.09616	3.6
258.11298	1.9
259.10785	6.6
260.11508	2.0
265.09708	2.2
266.08026	1.1
267.11246	2.8
268.09732	7.8
269.09152	8.4
273.12244	2.1
283.10745	6.7
284.09128	2.9
285.08679	0.7
286.10757	5.8
287.10220	17.7
288.10583	0.8
293.09195	1.5
301.11801	17.8
311.10187	8.1
312.08646	0.6
319.12872	5.8
329.11267	11.4
347.12344	100.0
348.12561	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	346.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30157	3.7
50.79440	3.9
55.05506	24.2
56.96553	17.0
57.03436	9.3
60.04525	7.8
61.02914	5.5
64.10940	3.9
67.05499	79.2
69.03429	6.4
69.07075	26.6
70.06578	6.3
79.05484	25.3
81.03398	14.6
81.07047	33.4
83.04960	7.3
83.08600	12.4
85.02897	11.7
85.06516	4.6
86.09701	7.0
86.13057	4.4
91.05470	28.2
93.07041	28.3
95.04966	7.9
95.08595	21.7
97.02890	11.8
97.06491	25.7
97.10149	12.8
98.97573	10.4
101.45535	4.1
105.07018	26.0
107.04952	10.3
107.08596	28.2
109.02897	7.4
109.10145	66.2
111.04416	5.1
116.98600	11.9
117.07018	7.5
119.08582	18.7
121.10137	9.8
125.09590	12.7
129.07076	5.5
131.08533	9.6
133.10144	8.8
134.99637	9.8
135.11716	5.8
137.09581	11.9
143.08490	5.5
145.10126	13.7
147.11755	5.1
149.01187	4.9
149.09631	5.3
155.10664	15.1
157.10051	6.8
159.11713	5.7
163.11203	4.4
165.09070	6.8
173.01277	4.8
173.11726	100.0
177.00717	10.7
185.13181	5.6
187.11241	5.0
189.11165	10.9
191.02281	6.2
195.13742	4.7
201.07860	4.7
217.07431	5.2
229.07465	12.9
244.99744	7.2
247.08453	15.6
275.19952	21.8
283.06042	6.5
285.10367	5.0
320.93521	5.9
336.63925	4.5
347.13351	3.8
347.22467	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	346.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
55.05496	1.1
56.05032	8.4
56.96561	6.7
57.03428	1.3
57.07053	0.6
58.06592	3.9
60.04519	5.6
62.06094	0.8
67.05497	3.1
69.03419	1.2
69.07059	9.0
69.07397	0.7
70.06590	3.6
71.04990	0.8
71.60473	1.0
72.08148	4.9
73.02914	0.6
73.04034	2.2
74.06071	25.9
79.05492	1.3
81.03410	1.8
81.07030	3.2
82.06577	1.9
83.04972	0.8
83.08621	1.3
84.04497	14.2
84.08129	3.9
85.02901	2.2
85.06531	4.1
86.06056	2.2
86.09698	100.0
87.05605	0.7
87.10055	1.4
91.05497	3.1
93.07041	1.9
94.06587	1.1
95.04970	1.8
95.08610	1.4
97.02906	1.1
97.06530	1.0
98.09697	1.4
98.97591	1.1
99.04421	0.8
101.07134	19.2
102.05529	7.1
105.07015	2.1
107.04910	0.9
107.08591	2.2
109.06528	1.3
109.10159	1.6
110.06046	2.7
110.09679	0.6
115.05350	0.6
116.07151	0.6
116.98518	0.7
119.04935	0.7
119.08627	0.8
120.08111	2.1
121.06509	0.9
121.10171	0.9
123.04472	0.6
124.11235	2.9
125.10747	0.5
126.09136	1.7
126.12792	1.4
127.03902	0.7
127.08649	0.6
129.10242	1.4
130.06519	0.6
131.08560	1.1
132.10205	2.7
135.11734	0.7
136.07571	1.2
137.05997	1.1
137.09641	0.6
142.12263	14.0
143.11775	5.2
145.06459	0.8
145.10173	0.8
146.11745	26.4
147.04410	0.7
147.11784	0.8
149.09593	1.1
152.07022	0.6
155.08144	7.6
156.10164	0.9
159.03191	1.3
161.09561	0.8
165.05426	1.0
169.13379	1.1
172.94264	1.4
173.09178	4.5
174.11223	1.6
174.57286	0.5
183.07608	3.0
185.07127	0.7
185.11797	1.3
187.14401	94.6
188.14748	2.0
189.12755	0.6
190.95308	2.2
197.12784	0.7
201.06627	1.2
201.08704	2.1
213.06529	0.9
215.13887	23.4
215.16002	1.1
216.12317	1.3
216.14229	0.9
217.15413	2.0
233.14963	1.8
241.09743	1.0
242.08150	0.8
245.18550	1.7
266.11343	3.1
269.09097	1.1
283.10858	1.9
284.12469	1.7
287.09827	0.7
301.11792	1.3
302.17450	0.6
310.23892	1.4
311.10211	4.3
328.24863	0.9
329.11292	8.6
346.07190	2.7
346.19016	0.8
346.26019	2.8
347.12262	2.3
364.08188	6.2
365.07675	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	346.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
55.05496	1.1
56.05032	8.4
56.96561	6.7
57.03428	1.3
57.07053	0.6
58.06592	3.9
60.04519	5.6
62.06094	0.8
67.05497	3.1
69.03419	1.2
69.07059	9.0
69.07397	0.7
70.06590	3.6
71.04990	0.8
71.60473	1.0
72.08148	4.9
73.02914	0.6
73.04034	2.2
74.06071	25.9
79.05492	1.3
81.03410	1.8
81.07030	3.2
82.06577	1.9
83.04972	0.8
83.08621	1.3
84.04497	14.2
84.08129	3.9
85.02901	2.2
85.06531	4.1
86.06056	2.2
86.09698	100.0
87.05605	0.7
87.10055	1.4
91.05497	3.1
93.07041	1.9
94.06587	1.1
95.04970	1.8
95.08610	1.4
97.02906	1.1
97.06530	1.0
98.09697	1.4
98.97591	1.1
99.04421	0.8
101.07134	19.2
102.05529	7.1
105.07015	2.1
107.04910	0.9
107.08591	2.2
109.06528	1.3
109.10159	1.6
110.06046	2.7
110.09679	0.6
115.05350	0.6
116.07151	0.6
116.98518	0.7
119.04935	0.7
119.08627	0.8
120.08111	2.1
121.06509	0.9
121.10171	0.9
123.04472	0.6
124.11235	2.9
125.10747	0.5
126.09136	1.7
126.12792	1.4
127.03902	0.7
127.08649	0.6
129.10242	1.4
130.06519	0.6
131.08560	1.1
132.10205	2.7
135.11734	0.7
136.07571	1.2
137.05997	1.1
137.09641	0.6
142.12263	14.0
143.11775	5.2
145.06459	0.8
145.10173	0.8
146.11745	26.4
147.04410	0.7
147.11784	0.8
149.09593	1.1
152.07022	0.6
155.08144	7.6
156.10164	0.9
159.03191	1.3
161.09561	0.8
165.05426	1.0
169.13379	1.1
172.94264	1.4
173.09178	4.5
174.11223	1.6
174.57286	0.5
183.07608	3.0
185.07127	0.7
185.11797	1.3
187.14401	94.6
188.14748	2.0
189.12755	0.6
190.95308	2.2
197.12784	0.7
201.06627	1.2
201.08704	2.1
213.06529	0.9
215.13887	23.4
215.16002	1.1
216.12317	1.3
216.14229	0.9
217.15413	2.0
233.14963	1.8
241.09743	1.0
242.08150	0.8
245.18550	1.7
266.11343	3.1
269.09097	1.1
283.10858	1.9
284.12469	1.7
287.09827	0.7
301.11792	1.3
302.17450	0.6
310.23892	1.4
311.10211	4.3
328.24863	0.9
329.11292	8.6
346.07190	2.7
346.19016	0.8
346.26019	2.8
347.12262	2.3
364.08188	6.2
365.07675	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	346.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.01866	1.4
55.05507	13.4
56.05032	5.6
56.96546	1.6
57.03416	2.4
57.07034	0.9
58.99585	1.1
60.04523	100.0
65.03928	1.1
67.05502	10.9
68.05023	1.1
68.93223	0.7
69.03407	3.3
69.07059	6.9
69.34880	7.5
70.06592	15.8
71.04977	1.8
72.04503	7.0
72.08150	70.4
72.41771	0.9
73.02910	0.8
73.08469	2.7
74.00661	4.8
74.06063	1.6
79.05494	9.3
80.04996	4.7
81.03406	2.8
81.05344	1.2
81.07053	15.2
82.06567	2.3
83.04951	2.3
83.06086	1.2
83.08587	2.7
84.04025	1.6
84.04498	19.4
84.08140	9.8
84.08942	1.3
85.02895	3.0
85.06515	1.6
86.06073	1.1
86.09701	46.1
87.05556	1.3
87.10009	2.0
88.03983	5.3
90.05530	1.3
90.06137	0.8
91.05476	14.0
92.40943	0.9
93.07033	9.0
94.06552	2.9
95.04990	3.9
95.08609	13.5
96.04453	1.5
96.08116	3.0
97.02883	1.6
97.06534	2.7
98.02390	1.1
98.06033	1.1
98.97572	1.3
99.08076	3.6
100.07571	0.9
102.05541	6.4
103.05492	0.9
104.05312	1.0
104.07101	14.3
105.07019	8.6
106.06546	1.3
107.04955	2.0
107.08591	4.9
109.02928	1.0
109.06489	1.4
109.10149	3.0
109.13438	0.7
110.02362	0.9
110.06035	1.1
110.07140	2.4
112.07590	1.3
113.09667	2.2
113.10737	1.0
114.03743	1.5
114.09151	1.4
115.03276	15.5
115.04063	1.8
116.01645	2.0
116.07090	2.3
117.06983	3.6
118.66484	0.7
119.08559	4.1
120.06555	0.8
120.08088	5.1
120.08810	0.8
121.10168	4.5
122.02720	1.8
123.08074	2.5
123.11655	1.1
124.07593	1.3
125.09653	1.2
127.08667	3.1
128.07086	2.0
129.06691	1.3
129.10225	4.0
130.04999	3.0
130.10535	1.1
131.08586	4.5
132.10193	8.0
133.10118	4.1
134.08029	0.8
134.09615	1.4
135.08043	1.7
135.11673	2.0
136.07553	1.2
137.06001	0.9
138.09111	1.0
139.11179	1.0
141.10185	1.8
142.03229	9.8
142.08627	4.8
143.03604	5.5
143.08548	0.9
143.11780	1.9
145.10130	3.6
147.04393	1.7
147.08000	1.4
147.11642	2.4
149.09586	1.1
149.13283	0.9
152.07069	1.3
152.10651	1.1
154.08592	0.9
155.08363	0.9
156.10207	1.0
157.10146	1.2
159.11699	1.2
160.02827	1.2
161.09637	1.2
162.02197	1.9
162.05756	0.9
166.08650	2.7
167.10767	1.0
169.09773	4.9
170.02719	1.9
170.11732	1.1
171.03014	2.7
173.13000	1.5
184.09476	0.9
185.16475	1.5
187.10773	26.7
197.12874	6.2
201.10690	1.0
201.12251	4.1
210.14821	1.7
212.09200	1.8
215.10265	15.5
215.13860	7.8
216.15976	2.2
218.05931	8.5
225.12379	2.3
227.04872	0.9
229.11856	1.4
233.05957	1.4
243.13474	1.3
245.05930	1.2
246.06180	1.6
247.12877	8.5
259.05579	0.9
272.07025	1.6
274.21619	1.3
292.22736	3.2
310.23734	8.0
328.24796	17.9
346.03796	1.9
346.22485	3.9
346.25879	76.1
347.12289	1.1
364.04715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.6
55.05507	11.0
56.05020	4.1
56.96547	2.1
57.03428	1.6
58.06570	0.7
60.04524	49.2
65.03942	0.9
67.05501	6.7
68.05024	0.9
69.03404	1.4
69.06775	0.7
69.07069	8.1
70.02955	0.8
70.06583	7.8
71.04975	1.8
71.59634	1.0
72.04498	4.2
72.08152	75.3
73.02898	1.7
73.08465	1.2
74.06066	2.4
79.05490	6.5
80.05016	1.0
81.03407	2.9
81.07052	7.7
82.06580	7.1
83.04967	3.3
84.04481	2.9
84.08152	5.4
85.02886	3.8
85.03994	1.8
85.06530	2.1
86.06084	1.1
86.09701	55.4
87.10041	0.9
88.03986	13.5
90.05523	0.8
91.05482	7.4
92.04980	2.3
93.07044	7.2
94.06557	2.5
95.04942	2.9
95.08601	11.4
96.04465	1.0
96.08121	5.9
97.02865	1.3
97.06514	2.5
98.02409	5.9
98.06051	1.7
98.09660	1.0
98.97581	1.5
99.08066	1.2
99.09189	2.8
100.03955	2.0
102.05537	1.5
104.07102	1.3
105.07020	4.5
107.04956	1.5
107.08605	4.0
108.08092	1.2
109.06488	1.2
109.10167	1.8
110.09653	0.7
112.07578	1.0
113.09626	2.3
113.10772	1.1
116.03469	0.8
116.07077	1.3
116.98609	1.3
117.06983	2.2
118.08642	2.1
119.04906	0.9
119.08559	2.8
120.04473	1.2
120.06565	0.7
120.08096	2.8
121.06530	0.8
121.10145	2.6
122.05935	0.8
123.08060	1.1
124.07571	4.2
125.09584	0.9
127.08672	17.2
128.06232	1.0
128.07056	3.8
129.06937	1.1
129.10214	1.9
131.08574	3.5
132.10201	8.6
133.10161	1.4
134.99622	1.8
135.08044	0.9
135.11726	1.1
136.07558	1.7
137.06013	3.7
138.05467	1.7
138.09148	2.0
140.07008	0.7
141.10201	4.5
142.08626	27.7
145.10118	2.3
146.99496	0.8
147.11668	1.0
149.09642	1.1
152.07036	2.2
156.10181	3.9
162.05595	0.9
163.11252	0.9
164.07053	1.5
166.04990	1.6
168.06534	0.9
169.09708	6.6
170.08144	3.4
182.08104	1.2
183.11310	2.7
184.09743	1.2
185.16515	1.0
187.10771	100.0
188.11037	1.6
197.12985	0.9
198.09152	1.4
200.16435	1.0
201.12334	30.4
203.13898	0.9
208.05949	0.7
210.14903	1.3
213.10143	0.9
215.10251	20.0
216.15952	2.1
217.04900	1.0
217.15450	1.5
226.08681	2.1
229.11786	5.7
230.12022	0.8
231.17085	1.7
240.10199	0.9
241.09718	3.9
255.11176	1.4
268.09650	0.9
269.09152	1.3
271.96423	0.8
274.21429	1.0
287.10248	2.7
292.22650	2.9
301.11813	2.3
302.19781	1.3
310.23615	4.2
311.09750	1.4
311.15866	0.8
328.21118	1.0
328.24802	8.9
329.11188	2.3
346.22232	3.0
346.25882	35.9
347.12387	14.2
347.16248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1857
Annotation	Europine N-oxide
Peak:m/z	Relative Intensity
53.03943	5.5
55.01860	13.0
55.05513	32.6
56.05056	4.2
57.03420	5.1
60.04516	16.9
61.02894	3.9
62.06081	4.3
65.03951	4.3
67.05508	30.3
67.14285	3.9
69.03424	13.8
69.07057	35.8
69.18533	3.7
70.06578	15.0
70.89371	10.4
71.04989	14.6
72.08141	24.9
73.02896	4.1
76.03997	85.0
79.05492	33.9
81.03413	8.9
81.07055	78.1
83.04968	37.7
83.08605	14.3
84.08134	14.8
85.02911	8.0
85.06550	8.9
86.06060	8.5
86.09720	8.8
91.05476	36.2
93.07033	100.0
95.04988	32.1
95.08591	48.3
97.02890	5.2
97.06522	55.3
98.17475	4.2
98.97593	5.3
99.04447	13.7
105.07028	75.7
107.04958	9.1
107.08588	59.7
109.06506	35.3
109.10155	16.7
110.06004	6.8
111.08077	40.8
112.07603	4.9
113.05977	5.1
115.63733	4.1
116.07103	5.1
116.98599	6.5
117.06979	9.4
119.04913	4.9
119.08572	33.7
120.08078	12.6
121.06499	80.0
121.10136	14.4
123.04382	6.1
123.08036	12.7
123.11728	9.9
125.05987	36.9
127.07572	14.6
128.10800	5.3
129.06967	10.5
129.10219	13.8
131.08560	13.7
133.06514	7.2
133.10138	43.5
135.04427	5.8
135.08054	23.1
136.07561	15.7
137.05995	17.1
137.09621	9.7
137.13220	4.8
139.07536	29.6
143.07011	21.9
143.08560	9.7
145.10115	19.6
147.08051	14.3
147.10626	7.7
147.11682	79.0
149.09639	6.4
149.13249	6.2
151.07605	4.0
151.11166	12.1
157.08734	10.3
157.10117	22.6
159.06508	6.6
160.08887	4.3
161.13242	18.9
165.09138	4.9
165.12740	23.3
166.09442	5.3
169.12306	21.2
171.11662	24.5
172.09671	9.4
173.09746	6.7
175.11180	76.2
186.11246	6.5
189.12743	50.2
190.93529	4.5
191.14378	7.0
193.12222	50.8
199.11174	30.4
200.09151	10.5
207.13795	16.5
211.13251	28.3
217.12209	93.4
222.14789	5.9
229.14392	7.0
235.13298	47.7
238.17914	5.6
240.16052	5.0
246.14926	18.9
253.14302	37.9
264.16003	43.4
266.17822	5.7
268.15335	11.5
274.14362	9.9
282.17072	30.6
286.16476	13.9
287.05521	22.1
292.15479	40.7
302.17368	10.2
303.05078	10.0
310.16476	50.7
328.17596	37.3
328.24734	6.0
329.03177	12.3
346.25943	7.3
347.12411	6.8
361.02350	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	345.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01867	7.1
55.05513	21.9
56.15845	1.8
56.96563	5.9
57.03436	3.1
57.07065	6.7
58.47103	2.0
59.04990	3.5
60.04551	3.1
67.05500	33.4
69.03424	10.2
69.07063	52.4
69.42896	19.0
70.06585	6.4
71.04993	4.2
71.08632	2.7
72.08156	5.9
79.05489	22.1
80.63411	2.0
81.03411	10.6
81.07053	100.0
83.04995	3.4
83.08633	18.8
84.04482	3.4
84.08116	3.4
85.02913	6.1
85.06541	13.6
86.09711	4.1
91.05470	18.7
93.07038	33.7
94.06603	3.0
95.04977	6.9
95.08607	62.8
96.08940	2.6
97.02909	4.8
97.06522	16.9
97.10174	6.3
98.20737	2.9
98.97579	10.2
99.08082	8.7
105.07024	15.3
107.08591	29.4
108.08161	2.4
109.02886	6.1
109.06510	4.2
109.10151	36.7
111.08078	17.8
111.11695	12.3
113.38897	1.9
116.98622	9.4
117.07022	2.2
119.08569	13.9
120.08053	2.6
121.06509	4.9
121.10143	16.1
122.06032	9.3
122.09657	4.6
123.08072	4.9
123.11710	27.8
125.09586	4.2
127.11172	3.7
131.08559	3.5
133.10130	5.6
134.99629	6.4
135.08032	3.2
135.11665	12.4
136.07570	14.5
137.05971	9.5
137.09590	17.3
137.13252	17.0
139.11270	3.9
143.04919	2.3
143.08603	2.7
145.10071	5.9
146.06018	4.2
146.99753	2.4
147.11697	7.1
149.01242	2.4
149.13261	24.3
153.12733	11.3
155.14290	4.5
158.99588	2.5
159.08041	3.5
159.11674	3.3
161.13290	3.0
163.03909	2.8
163.11278	2.6
163.14848	5.5
164.07069	8.5
165.09125	16.6
167.14355	5.5
173.01274	3.6
176.07080	8.1
176.10722	8.0
177.00714	6.0
182.08141	4.0
191.02176	3.4
202.98560	2.3
204.10246	3.8
205.11014	5.6
220.99586	2.0
244.99673	4.9
279.26868	3.7
281.12839	3.8
291.26810	8.2
302.17496	29.1
309.27789	8.7
313.10999	3.4
327.28989	2.2
345.05905	3.8
345.13177	4.1
345.16989	3.7
346.12616	2.7
346.16620	2.6
346.20160	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	345.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03437	0.6
55.05497	2.3
56.05026	3.4
56.96551	1.9
60.04528	0.7
60.05639	3.5
67.05495	0.9
69.03415	1.0
69.07053	1.2
70.06586	29.0
70.08480	3.3
71.04981	1.5
72.08150	26.2
82.06590	1.3
84.04502	2.1
84.08135	100.0
85.02892	2.3
85.06539	1.6
85.08462	0.9
86.09700	18.1
87.05599	1.1
88.04017	0.6
88.07613	0.6
91.05465	0.7
97.01276	0.5
97.02888	0.9
98.06051	0.9
100.05117	0.8
101.10771	4.2
102.05520	0.8
102.09182	1.1
108.08124	2.4
111.09206	0.6
112.07540	0.7
112.08732	5.2
113.07104	0.8
115.08688	1.7
116.07081	1.0
116.98615	0.9
118.08677	0.9
119.04951	0.6
122.07138	1.3
127.08704	1.3
129.10229	71.2
133.06087	3.1
134.99661	0.8
136.06198	1.3
136.07545	1.5
137.05972	0.8
138.12782	2.0
138.40598	0.6
140.08200	1.1
143.11761	1.2
147.11241	1.0
152.07043	2.1
152.08179	0.9
153.34840	0.6
154.09848	0.9
155.08141	0.9
157.10866	1.4
169.10869	2.7
171.11214	0.7
171.14886	1.6
175.11934	1.3
178.07248	0.8
183.11256	0.7
183.14925	8.1
185.16460	6.7
197.10350	0.9
210.16008	1.5
211.14473	1.9
213.15982	3.0
215.11388	1.8
217.15506	2.3
219.01804	0.8
228.17035	7.7
232.14093	3.7
246.18047	1.7
282.11234	0.8
307.04617	0.7
328.19559	1.7
328.22913	0.8
345.11597	2.0
345.22397	18.0
345.25458	9.3
346.11130	1.4
346.15027	1.1
346.22638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
54.18143	0.6
54.97115	0.7
55.05505	18.2
56.05029	2.9
56.05876	0.7
56.96566	2.1
57.03423	0.9
57.05800	1.1
58.99580	3.0
60.04520	13.8
61.01118	1.1
67.05508	3.7
68.05022	1.9
69.03417	2.4
69.07053	6.1
70.02943	3.0
70.06591	9.9
71.04977	1.0
71.21656	1.5
72.04510	1.2
72.08149	100.0
73.02904	0.7
74.02438	0.8
74.06064	0.8
76.04014	0.8
77.15130	0.7
79.05492	2.9
80.05018	7.9
81.03417	2.2
81.07054	4.5
82.06580	3.3
83.04997	1.0
83.06086	5.8
83.08600	7.0
84.04494	12.9
84.08134	10.0
85.02898	2.3
85.04021	2.0
85.06532	0.9
86.06037	1.5
86.09698	53.6
86.99056	2.0
87.05574	9.9
87.06042	1.0
87.10036	1.0
88.03985	3.6
89.06020	0.8
91.05487	3.8
93.07030	2.7
95.04978	1.3
95.08626	2.1
96.04479	1.6
96.08125	4.0
97.02894	0.9
97.06506	1.0
98.02405	6.4
98.09677	1.3
98.97614	0.8
99.08069	1.2
99.09211	3.0
100.07610	0.8
101.07141	1.4
102.05547	2.2
104.07095	10.4
105.03453	0.7
105.07017	2.9
106.02901	2.5
107.03254	1.3
107.08609	1.4
108.04526	0.7
109.02917	0.7
109.06471	1.2
110.02393	5.5
110.06022	1.7
110.07182	1.9
111.04469	0.7
111.08108	0.9
112.07599	1.0
112.08696	0.8
113.07115	0.9
113.10777	2.1
114.03728	6.2
115.05047	1.7
116.01661	7.6
116.07089	1.7
116.98574	0.8
117.10264	0.8
118.08675	1.3
119.04917	1.7
119.08588	1.7
120.08110	2.3
121.06555	0.9
121.10119	1.0
122.02760	1.2
123.04450	1.2
124.03946	5.9
124.07571	3.9
125.04321	2.8
127.03904	1.9
127.07760	0.5
127.08665	13.9
127.09539	1.2
129.06612	1.4
129.10219	4.5
130.08624	1.7
132.10207	4.9
133.10124	1.3
134.99686	1.6
135.07993	0.7
136.03929	1.7
136.07585	1.8
137.04384	0.8
137.05992	2.6
137.09631	1.4
138.09137	2.1
139.05791	0.9
141.10211	22.8
141.11284	1.1
142.03206	49.0
143.03459	1.5
143.11835	1.4
144.01196	2.7
144.06555	1.0
147.04338	3.3
151.06294	0.9
152.07088	3.1
152.10699	1.2
155.11772	4.9
156.10233	2.0
157.09683	1.1
157.13411	1.7
159.08380	7.3
161.01183	0.9
162.02168	9.2
162.07706	1.5
166.08620	5.0
169.09708	13.9
170.02695	17.2
171.11415	0.8
177.00806	0.9
183.11293	4.6
186.02133	0.8
186.12363	43.7
187.10854	2.7
187.12605	1.1
196.14455	4.7
197.09090	4.0
197.12856	5.1
199.05482	1.9
200.13931	15.9
201.00777	0.9
201.12350	8.0
211.07138	1.4
212.09277	3.2
214.11845	23.0
214.15578	1.9
215.14001	1.9
217.15459	1.0
218.64035	0.9
224.13910	2.3
227.04927	1.9
228.13429	4.8
229.11858	3.5
231.17125	2.5
241.15450	1.4
242.12151	1.6
242.15164	0.7
243.10678	1.4
245.05917	8.3
246.14455	7.0
250.07011	0.8
251.07536	2.1
262.11102	2.5
265.15509	1.1
269.08554	1.3
269.15079	1.2
282.18137	2.0
311.16107	2.9
327.13385	0.8
327.20139	3.4
328.18439	1.8
328.24695	1.6
345.10788	3.6
345.15170	5.1
345.21878	3.8
346.22177	1.2
346.25812	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	344.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.7
55.05506	48.3
59.05032	4.7
64.17861	4.0
67.05504	25.7
69.03413	7.7
69.07048	10.9
70.05840	15.9
70.06593	6.6
71.08620	19.0
79.05490	17.3
81.07042	19.9
83.08616	37.0
87.50729	4.3
93.07043	17.4
95.04947	5.7
95.08588	11.8
97.10165	65.5
98.21408	6.4
98.97699	4.6
99.08080	19.0
100.44180	4.1
104.99284	11.8
105.04796	4.8
105.06999	6.6
107.08595	36.1
109.06494	4.4
109.10149	11.1
111.08086	7.5
117.06986	6.8
121.06512	4.7
121.10130	7.0
125.09616	68.2
126.12752	6.0
133.10103	6.3
135.08049	21.3
135.11737	6.3
137.06003	6.2
145.10060	8.1
151.07524	7.1
151.11118	11.4
153.09103	10.5
157.12166	6.1
161.13231	5.4
163.11208	4.5
168.01640	4.4
171.10146	6.6
199.58894	4.8
203.12762	100.0
203.14519	7.7
225.18527	5.4
248.93915	5.1
259.20642	9.2
262.98230	10.9
277.21582	53.7
291.23145	8.6
309.24243	20.9
344.19180	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	345.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01397	1.0
53.03932	1.9
55.01859	4.3
55.05503	20.6
56.05024	1.9
56.96549	3.8
57.03419	4.4
58.99577	3.7
67.05499	19.4
68.05016	1.4
69.03419	12.9
69.07064	3.2
70.06588	10.6
70.76381	1.0
70.86151	3.2
71.04977	3.9
72.08141	4.4
79.05483	6.2
80.05006	17.1
81.03039	1.2
81.03412	13.2
81.07045	16.0
82.06543	1.2
82.07359	1.4
83.04974	1.4
83.08601	13.1
84.04480	5.5
84.08130	5.4
85.02905	10.6
85.06540	2.1
86.06045	2.1
86.09686	3.8
86.23074	1.3
86.99062	1.9
91.05486	6.4
93.07047	10.6
94.07344	1.3
95.04938	6.2
95.08591	8.5
97.02882	69.6
97.06515	3.0
99.04435	5.1
101.06005	1.2
102.77824	1.1
103.05431	3.4
105.06998	5.4
107.04941	2.2
107.08617	6.3
108.04454	3.3
109.02869	8.4
109.06496	4.0
109.10139	33.3
111.04406	1.8
111.08078	1.7
114.03735	13.5
115.08674	1.6
116.01648	16.2
116.98584	1.5
117.07011	1.8
119.04893	1.3
119.08566	6.7
120.08104	11.3
120.58253	1.1
121.06470	2.2
121.10124	4.7
123.04402	3.6
123.08089	1.7
123.11705	1.5
127.03912	12.7
129.10234	2.1
131.04866	1.4
131.08533	3.0
133.06488	1.9
133.10069	1.6
135.08015	2.8
135.11629	1.5
136.03905	2.5
136.07564	3.1
137.05975	10.4
137.09598	48.2
139.05791	1.8
142.03201	100.0
144.01141	4.6
144.04781	2.0
145.04956	3.4
145.10100	2.1
147.08057	1.9
147.11615	1.5
149.09610	1.7
151.03934	1.3
151.07532	2.4
153.09105	1.3
155.10620	4.8
157.10159	1.8
159.08365	15.4
162.02184	19.0
163.03854	1.3
163.07472	4.2
163.11205	3.8
164.11485	1.9
165.05521	1.7
165.09096	44.1
165.10490	2.3
167.08571	1.5
167.10623	1.8
168.17741	1.1
170.02696	33.6
183.10222	2.6
193.06094	1.4
199.05374	6.0
201.11189	3.6
202.98747	1.5
211.06934	1.4
227.04765	3.6
242.12120	3.9
245.05873	14.9
251.16724	1.2
262.11115	4.5
270.11633	2.0
313.10617	1.9
327.04959	4.0
327.13721	2.8
345.06042	3.9
345.14453	2.0
345.24203	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	344.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99946	5.7
54.45787	6.0
55.05519	7.6
67.05497	16.1
69.07094	6.6
69.47377	52.3
79.05484	6.5
81.07031	25.1
83.08630	10.2
88.07633	9.6
91.05473	11.2
93.07029	15.5
95.08591	12.2
104.99283	9.9
107.08605	8.7
109.10145	15.3
125.42649	6.3
133.10115	8.3
135.11659	10.4
150.46732	6.0
173.11740	14.6
222.06799	7.3
262.98080	13.2
277.21521	8.8
344.25360	8.9
344.35104	11.7
345.20349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29874	9.6
53.80943	9.5
55.05498	34.0
57.03430	13.1
57.07065	20.9
60.18172	9.1
67.05499	62.1
69.07053	43.2
70.06576	12.2
70.14506	47.8
71.08617	31.3
74.06059	19.5
79.05486	45.2
81.07055	74.7
83.04962	16.0
83.08620	28.0
84.82661	10.1
88.07616	79.1
91.05466	39.6
93.07048	65.0
95.04980	14.1
95.08590	37.9
97.06544	13.7
97.10131	9.4
99.08096	14.5
100.11241	21.5
104.99282	11.0
105.07004	30.1
106.08652	11.3
107.08586	44.9
109.10166	22.3
119.08538	23.2
121.10122	22.6
123.11694	15.9
131.08516	18.2
133.10123	33.6
134.52773	8.8
135.11623	14.3
139.11198	22.7
145.10075	13.7
147.11644	18.6
149.13326	13.3
149.80061	8.7
151.11093	14.3
159.11787	22.5
170.86269	9.6
177.12697	9.8
189.12755	9.5
277.21622	39.9
344.27042	8.8
344.31418	64.5
345.20337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.1
53.81224	6.4
55.01862	13.6
55.05486	11.1
55.93529	6.3
56.96552	15.4
57.03411	14.3
67.05487	48.7
69.03405	10.2
69.07053	29.2
69.66953	21.8
69.67381	26.7
70.06576	14.5
71.04969	8.6
72.93810	11.3
79.05497	42.0
81.03439	15.8
81.07063	38.6
83.04977	9.6
83.08631	8.2
84.08140	8.2
85.06544	7.3
86.09676	8.0
90.94851	8.7
91.05483	35.1
93.07043	29.4
95.04966	31.4
95.08587	27.4
97.06531	100.0
98.97563	10.8
103.77767	7.1
104.99223	9.0
105.07026	28.7
107.08589	18.8
109.10146	20.3
111.54636	8.3
114.88866	6.6
115.07545	21.7
116.10731	15.5
116.98612	11.5
117.07039	9.7
119.08579	13.3
121.06486	11.6
121.10147	8.8
129.06996	9.7
131.08562	15.7
133.10114	10.8
134.99637	16.3
135.08020	9.3
135.11682	11.4
137.06078	6.7
137.09592	9.9
144.55637	7.3
145.10132	12.5
147.08034	11.1
147.11636	8.1
157.10089	8.5
163.11118	9.1
168.09206	7.2
171.75934	7.3
195.13718	7.7
206.92667	13.4
217.36552	6.8
224.93672	10.1
245.04558	6.5
248.93747	11.8
262.98193	10.0
266.94690	10.4
268.04553	7.9
273.61624	6.4
344.24728	8.1
345.11365	26.1
345.20657	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	344.2219
Annotation	Polysignine
Peak:m/z	Relative Intensity
55.05505	2.3
56.96557	1.8
60.82077	0.8
65.60511	0.6
67.05498	3.5
68.05821	0.8
69.03425	0.9
69.07069	2.1
70.06587	1.8
70.09180	2.7
72.08124	1.8
73.23052	0.7
79.05486	6.4
81.07043	3.3
83.05019	1.0
83.08574	1.1
84.08128	1.3
85.02911	1.1
91.05479	5.3
93.07048	5.2
94.06540	1.1
95.04946	1.2
95.08590	2.9
97.02874	1.7
97.06532	1.8
98.97580	1.0
103.05456	10.8
105.07043	4.7
105.51765	0.8
107.04955	7.2
107.08589	3.4
108.08115	14.1
108.08841	1.0
109.06520	1.1
109.10168	2.5
110.09673	2.1
111.08095	1.1
116.98634	1.4
117.07001	0.9
119.08578	1.8
120.08098	3.4
121.06557	1.0
121.10125	1.3
122.09657	11.4
123.10448	2.0
130.06517	3.7
131.04922	5.9
132.08069	2.7
133.10059	1.0
134.09648	0.9
134.99695	1.2
135.11679	2.3
136.11221	5.6
137.09622	1.1
137.43663	0.7
145.10149	1.0
150.12769	23.6
150.13962	1.3
151.13535	5.8
152.14375	4.1
153.15109	1.0
170.09543	1.0
180.10187	5.8
200.14267	1.4
209.14281	0.7
226.15968	0.8
228.10170	1.0
232.13074	0.9
246.11179	0.7
246.14796	1.1
247.08504	0.8
254.19067	4.0
256.13580	1.5
270.14929	2.0
298.18143	0.9
300.19565	100.0
301.19891	5.3
302.21124	3.2
344.22180	61.1
345.22510	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	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03426	1.3
60.04515	0.9
61.02927	0.9
65.03922	0.9
69.03419	3.3
69.53750	0.4
70.06581	2.4
70.75922	1.1
70.76255	0.5
71.04963	0.7
72.08134	0.6
81.03409	1.3
84.04482	0.5
84.08121	2.1
85.02899	15.8
86.09693	1.9
91.03975	0.6
91.05466	5.6
97.02909	3.7
99.04437	1.0
109.02859	1.9
112.45168	0.5
116.07049	1.4
119.04932	20.4
123.04412	1.9
127.03905	2.1
138.61133	0.5
145.04965	3.7
147.04396	100.0
148.04716	0.7
165.05467	54.0
180.08652	1.3
182.08185	1.0
217.13699	0.8
260.09305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
53.03935	2.8
55.01856	1.5
55.05489	1.0
56.05022	1.9
56.96571	0.8
57.03429	1.2
60.04523	5.2
61.02928	0.9
67.05495	1.4
69.03425	11.1
69.07053	0.7
70.00426	1.9
70.00848	1.0
70.02939	0.5
70.06587	8.8
71.04967	1.2
71.06902	0.7
72.08135	3.7
73.02899	1.4
74.06079	1.0
78.03447	13.1
79.05478	1.0
80.05011	3.2
81.03413	19.9
81.07041	1.1
84.04493	1.5
84.08138	6.4
85.02902	12.7
86.09704	6.7
88.03991	0.7
89.06031	0.7
91.05461	1.4
93.07051	0.9
96.04484	6.9
97.02888	6.2
99.04446	3.1
105.07012	1.2
106.02908	75.2
107.04946	0.8
107.08607	1.5
108.30005	0.6
109.02869	12.8
110.07130	0.6
112.08674	0.6
116.07061	3.2
116.98590	0.6
119.04900	0.8
120.08110	0.9
122.02727	1.6
124.03945	100.0
125.04237	0.6
125.09556	0.6
127.03913	9.9
129.10197	3.3
132.04404	1.3
136.07492	0.9
145.04930	1.4
146.99590	0.6
147.04382	1.9
147.11476	0.5
152.07098	0.6
158.99170	0.5
162.83748	0.5
166.04991	2.6
181.35219	0.5
201.12285	1.4
202.05042	1.0
205.12294	0.8
207.31853	0.5
232.06003	4.6
250.07088	29.5
255.10561	0.7
268.08145	32.3
324.68411	0.5
326.23291	0.9
327.20004	0.5
335.62427	0.7
344.13382	2.2
344.24335	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	344.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03937	0.4
56.05022	0.7
56.96542	0.5
57.03437	0.5
59.04976	0.5
60.08152	0.5
61.02921	0.7
67.04237	0.6
68.28726	0.3
69.03423	2.5
69.93176	0.8
69.93578	1.4
70.06590	7.5
70.96738	0.4
72.08136	1.5
73.02897	0.8
81.03398	1.1
84.04482	0.9
84.08124	1.3
85.02898	4.7
86.09682	2.9
87.04440	0.4
90.94805	0.4
91.05473	0.8
97.02883	1.7
98.97578	0.5
104.63373	0.4
106.02905	1.1
107.06065	1.2
109.02856	0.7
109.05086	0.5
111.05536	0.8
116.07102	2.5
119.04917	2.2
124.03944	0.8
125.01657	1.0
126.02480	0.7
127.03259	1.2
129.10246	0.8
134.04608	8.0
140.02654	0.6
145.04890	0.6
147.04395	9.9
152.05644	1.8
165.02312	3.7
165.05466	4.2
165.11256	1.0
167.02597	0.7
169.04330	1.8
182.04950	100.0
183.05217	1.2
183.11241	0.4
196.06075	0.4
206.04564	0.4
223.09134	0.6
228.11630	1.3
231.09662	1.7
241.10069	2.2
250.07004	0.7
286.09213	0.4
300.17386	3.3
344.10199	24.5
345.10324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03933	5.6
53.80108	2.4
55.01864	5.3
55.05498	18.5
57.03424	9.1
57.07062	7.9
59.04978	3.9
67.05502	27.7
67.55391	3.5
69.03415	11.8
69.07059	4.9
70.23399	11.1
71.04990	25.2
79.05487	28.9
81.03413	4.3
81.07043	28.6
83.04970	6.0
85.06541	5.2
91.04940	4.3
91.05466	36.4
93.07036	75.3
95.04959	60.1
95.08600	91.7
96.08875	2.5
97.06512	16.1
98.20749	3.7
103.05416	2.9
105.07022	90.1
107.08582	58.1
109.06505	14.5
109.10134	4.6
115.05426	5.9
117.07013	30.5
119.08559	33.6
121.06505	16.7
121.10092	17.7
123.08060	33.3
125.05994	6.2
128.06197	7.2
129.06952	3.5
130.07777	23.4
131.08530	9.6
133.06490	8.6
133.10124	15.0
135.08035	23.5
135.11693	20.3
137.09590	11.5
139.83160	2.5
142.07768	4.1
143.08524	13.2
145.10107	100.0
146.10451	4.7
147.08058	15.5
147.11688	6.4
149.09613	6.4
151.07530	54.4
153.09088	4.0
156.09354	4.2
157.10132	9.7
159.08060	3.9
159.11696	8.6
161.09612	9.1
161.13203	3.7
163.11176	63.8
164.11629	3.1
165.07065	3.0
165.09084	20.4
171.11710	5.8
173.09619	3.6
173.13280	5.3
175.11185	8.1
177.09097	5.9
179.07043	5.9
181.12161	2.9
185.13112	4.2
187.11073	3.0
189.12730	9.9
191.14371	3.7
195.11644	2.6
197.13222	5.1
199.14795	2.8
201.12735	4.1
203.14285	8.9
207.09917	2.9
207.13812	9.4
213.12817	2.6
214.63202	2.5
215.14285	3.0
217.12151	4.6
221.15344	31.1
233.15450	3.1
263.16376	8.9
284.83704	3.3
286.19254	3.3
325.21652	17.2
343.22647	83.4
344.22952	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	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03926	3.7
53.99653	2.7
55.01867	7.4
55.05512	24.3
57.03434	9.8
57.07080	9.7
59.04993	8.1
62.26831	2.9
65.03925	3.2
66.00908	2.4
67.05499	34.3
69.03426	13.1
69.07053	6.1
70.22408	11.3
71.04990	21.9
76.45164	2.5
79.05491	30.2
79.83935	2.6
81.03419	5.2
81.07057	32.8
83.04974	8.0
85.06541	8.5
91.05465	38.4
93.07039	78.1
95.04960	70.8
95.08603	100.0
97.06527	21.0
103.05521	3.0
105.07025	94.4
107.04949	5.3
107.08589	66.8
108.05688	3.9
109.06528	19.8
109.10155	4.7
115.05445	9.0
117.07012	36.2
119.08588	28.0
121.06509	19.4
121.10136	17.6
123.08057	28.4
128.06221	7.5
129.07007	8.3
130.07776	18.7
131.08553	10.4
133.06491	5.6
133.10114	21.7
135.08047	31.8
135.11673	19.6
137.09608	7.8
143.08551	11.8
145.10121	87.5
145.11282	4.5
147.08054	11.2
147.11670	5.4
149.09636	7.0
151.07541	51.0
153.09068	3.4
156.09479	2.7
157.10144	11.4
159.08046	5.4
159.11740	7.8
160.64864	2.6
161.09625	11.0
161.13261	4.7
163.07530	4.1
163.11174	73.7
165.09126	22.4
167.08415	4.3
169.10202	3.6
171.11726	8.3
173.09644	7.3
173.13281	5.2
175.11177	4.7
177.09160	5.4
179.07037	8.1
179.10608	3.8
182.10915	3.1
183.11674	5.9
185.13263	5.0
187.11177	6.0
189.12698	14.6
201.12695	4.7
203.14351	9.6
207.13776	8.3
209.15262	4.1
209.19994	2.6
217.12187	4.6
221.15363	25.4
263.16403	7.4
269.15463	4.0
286.19312	8.8
287.20139	3.1
325.21683	8.0
343.18701	6.0
343.22672	79.7
344.22964	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	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.94444	1.3
53.03939	4.3
55.01870	7.5
55.05258	1.8
55.05507	19.4
55.25255	1.1
56.96549	2.0
57.03431	10.2
57.07077	11.1
58.63836	1.1
59.05016	5.9
59.57175	1.1
65.03929	3.4
66.00143	1.1
67.05497	34.8
69.03421	12.1
69.07047	6.8
69.49370	3.2
69.49793	6.1
71.04987	21.5
73.62748	1.4
79.05053	2.5
79.05486	29.8
80.05763	1.2
80.07190	1.0
81.03405	3.7
81.07055	36.5
83.04984	5.6
83.08606	3.5
83.87234	1.1
85.06532	5.2
91.05472	42.7
93.07035	77.6
94.07351	1.4
95.04961	63.7
95.08601	98.0
96.08935	2.7
97.06522	20.6
103.05440	3.6
105.04481	1.4
105.07021	95.3
106.07326	1.7
107.04948	5.3
107.08586	63.6
108.08914	2.0
109.06509	20.8
109.10146	6.6
111.08063	1.8
113.09563	1.2
115.05430	8.7
116.06203	1.4
116.98624	1.4
117.07006	36.8
119.08569	33.4
119.09436	1.4
121.06502	18.7
121.10138	19.2
122.07282	2.4
123.08059	33.4
123.11678	1.7
125.05977	2.5
128.06210	4.2
129.06993	8.8
130.07779	24.4
131.08571	10.8
133.06503	7.6
133.10124	18.8
134.99660	2.0
135.08041	27.3
135.11693	18.8
137.05975	3.0
137.09576	7.5
141.06950	2.1
142.07748	4.0
143.08563	14.0
144.09410	1.2
145.06410	3.1
145.10109	100.0
146.07205	1.3
146.10512	3.0
147.08018	18.9
147.11644	6.4
148.08730	1.1
149.09598	8.1
149.13182	1.1
151.07536	57.0
152.07944	1.7
153.09073	3.8
155.08510	4.5
155.10625	1.7
156.09363	4.3
157.10130	9.4
158.07323	1.3
158.10843	1.5
159.08055	5.1
159.11673	10.0
161.09622	9.4
161.13240	4.0
162.57664	1.3
163.11169	70.4
164.11523	2.3
165.09100	23.4
167.08516	2.7
169.10095	4.5
170.10922	1.5
171.11674	7.3
172.08789	1.7
173.09587	6.0
173.13251	4.9
174.10339	1.3
175.11176	8.6
175.14713	1.7
177.09117	7.7
179.07039	5.1
179.08505	1.9
179.10551	2.5
180.09261	1.7
181.10104	3.3
181.12180	4.3
182.10873	2.0
183.11682	4.0
185.13254	3.9
187.11192	7.1
187.14803	2.2
189.09084	3.7
189.12729	13.2
191.10629	2.3
191.14291	3.2
193.10159	2.0
194.10835	1.6
195.11676	2.9
197.13232	4.8
199.11137	3.2
199.14798	1.9
201.09178	1.8
201.12701	3.5
203.14293	10.0
207.10165	3.1
207.11838	2.0
207.13734	8.5
209.13237	4.3
209.15421	3.9
211.14812	1.9
213.12730	1.4
213.16261	1.7
215.14337	3.2
217.12219	3.0
221.15367	33.4
222.15685	1.6
223.14664	2.2
225.12671	2.7
225.16391	1.8
227.14305	1.3
231.13834	1.5
233.13290	2.4
233.15373	4.2
241.15834	4.5
243.13737	2.9
245.15439	2.5
251.14061	2.2
257.15314	1.8
259.16916	2.3
263.16422	9.8
267.17300	1.7
268.18079	1.3
269.15323	4.9
271.17023	1.5
274.19226	1.6
286.19266	3.4
287.16409	3.5
287.19830	2.8
307.20621	2.3
325.21613	12.8
337.37625	1.2
343.22650	97.2
344.22955	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	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03939	6.2
53.98088	2.7
54.29658	2.5
55.01851	11.1
55.05502	17.8
57.03411	10.9
57.07057	10.0
59.04985	9.3
65.03944	2.6
66.17208	2.4
67.05504	33.9
69.03411	11.9
69.07050	10.0
69.41595	23.4
71.04991	29.3
71.23573	2.3
79.05483	27.2
81.03389	4.8
81.07052	36.0
83.04962	6.2
85.06507	3.3
88.76113	2.5
91.05468	41.1
91.34577	2.6
93.06469	5.2
93.07035	92.3
94.87420	2.7
95.04965	73.1
95.08598	99.7
97.06517	22.8
103.05428	6.7
105.07021	96.0
105.07616	2.1
107.04930	4.1
107.08582	64.2
109.06496	24.9
109.10095	4.1
115.05430	10.2
117.07005	38.3
119.08562	34.0
121.06492	19.6
121.10140	17.1
123.08061	37.3
128.06232	4.7
129.06961	8.8
130.07790	25.9
131.08614	14.7
133.06483	9.3
133.10130	21.1
135.08046	33.5
135.11673	20.3
137.05974	4.5
137.09575	6.2
142.07739	6.0
143.08539	11.0
144.09435	2.6
145.06522	4.5
145.10110	100.0
147.08022	19.3
147.11690	6.1
149.09602	5.4
151.07526	54.0
153.09116	3.7
155.08539	4.5
157.10126	12.2
159.08051	4.9
159.11708	9.8
161.09619	7.7
161.13219	6.9
162.48048	2.9
163.11163	78.6
165.09093	20.8
169.10146	5.9
171.11638	6.4
173.09644	3.5
173.13254	3.6
175.11188	3.8
177.09071	9.2
179.07008	5.3
179.10687	3.1
181.12080	2.4
183.11728	3.4
185.13289	6.2
187.11157	7.3
187.14810	2.6
189.12692	15.6
191.10692	3.4
193.10234	2.7
197.13315	6.1
203.14247	10.5
207.10028	3.6
207.13762	8.7
209.13226	4.0
209.15266	6.2
213.12714	2.9
215.14308	3.0
217.12085	3.8
219.13881	3.0
221.15331	34.9
227.14314	3.8
235.40189	2.6
236.47173	2.7
241.15984	4.2
243.13818	4.5
249.48965	2.7
263.16412	7.0
269.15396	4.0
286.19263	5.1
287.16446	6.2
287.19592	2.6
307.20410	3.0
325.21539	11.5
341.72928	3.5
341.77228	3.4
343.22623	100.0
344.22681	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	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
55.01864	3.0
55.05518	4.8
56.96555	3.5
57.03439	6.0
57.07066	2.3
60.04512	1.6
61.02932	6.5
64.03848	1.0
67.05491	3.6
69.03429	18.0
69.07069	6.6
70.06591	14.3
71.04974	4.4
72.08153	7.9
72.93784	1.1
73.02909	3.3
79.05487	10.0
79.65092	0.9
81.03415	8.3
81.07059	10.7
82.06600	0.9
83.04980	7.6
83.06087	1.6
83.08624	0.8
84.04498	4.5
84.08141	8.0
85.02902	38.7
85.06577	0.9
86.09702	21.3
87.04441	2.4
87.10020	5.4
89.03926	1.1
91.03938	2.8
91.05483	6.6
93.07032	13.1
95.04967	21.4
95.08593	3.7
97.02885	15.5
97.06532	5.6
97.55505	0.9
98.97575	2.0
99.04436	4.0
105.07023	10.9
107.04951	2.8
107.08585	19.3
109.02880	4.2
109.06503	4.1
110.07171	1.8
116.07088	7.1
116.98606	1.2
117.07001	2.9
119.04962	1.3
119.08533	5.5
120.08116	2.2
121.06497	4.1
121.10147	14.4
123.08076	1.2
125.05987	12.1
127.03928	10.7
129.06961	2.1
129.10272	2.3
130.04965	1.4
130.07773	3.6
130.08662	1.7
131.00150	1.3
131.04985	0.9
131.08507	1.4
133.10118	2.4
135.08051	5.7
135.11681	9.3
136.07608	1.1
137.05952	4.7
138.09117	1.2
143.08615	2.2
144.04453	2.4
145.04965	9.6
145.10110	19.6
147.04393	2.5
147.08020	1.6
149.01199	2.2
151.07553	1.5
153.09105	2.4
156.03564	1.7
161.01282	1.1
161.09578	1.6
162.05455	1.8
163.07515	3.3
163.11174	100.0
164.11568	2.2
166.08626	1.5
167.07126	1.8
172.03925	5.0
173.13246	1.5
175.11221	3.3
177.00667	2.1
180.57541	1.1
181.04994	2.4
181.12230	19.5
183.10132	1.6
190.04988	22.8
193.12248	2.2
199.18092	2.5
200.18365	2.8
203.05286	1.2
205.12257	2.8
223.13219	1.6
252.59581	6.0
253.09637	3.2
263.07260	4.2
281.08331	2.4
297.11588	1.2
301.11472	1.5
324.61676	3.2
325.11047	1.3
325.16559	1.2
333.62115	1.7
343.04376	1.2
343.08896	1.8
343.13080	13.4
343.17462	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	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
55.01864	3.0
55.05518	4.8
56.96555	3.5
57.03439	6.0
57.07066	2.3
60.04512	1.6
61.02932	6.5
64.03848	1.0
67.05491	3.6
69.03429	18.0
69.07069	6.6
70.06591	14.3
71.04974	4.4
72.08153	7.9
72.93784	1.1
73.02909	3.3
79.05487	10.0
79.65092	0.9
81.03415	8.3
81.07059	10.7
82.06600	0.9
83.04980	7.6
83.06087	1.6
83.08624	0.8
84.04498	4.5
84.08141	8.0
85.02902	38.7
85.06577	0.9
86.09702	21.3
87.04441	2.4
87.10020	5.4
89.03926	1.1
91.03938	2.8
91.05483	6.6
93.07032	13.1
95.04967	21.4
95.08593	3.7
97.02885	15.5
97.06532	5.6
97.55505	0.9
98.97575	2.0
99.04436	4.0
105.07023	10.9
107.04951	2.8
107.08585	19.3
109.02880	4.2
109.06503	4.1
110.07171	1.8
116.07088	7.1
116.98606	1.2
117.07001	2.9
119.04962	1.3
119.08533	5.5
120.08116	2.2
121.06497	4.1
121.10147	14.4
123.08076	1.2
125.05987	12.1
127.03928	10.7
129.06961	2.1
129.10272	2.3
130.04965	1.4
130.07773	3.6
130.08662	1.7
131.00150	1.3
131.04985	0.9
131.08507	1.4
133.10118	2.4
135.08051	5.7
135.11681	9.3
136.07608	1.1
137.05952	4.7
138.09117	1.2
143.08615	2.2
144.04453	2.4
145.04965	9.6
145.10110	19.6
147.04393	2.5
147.08020	1.6
149.01199	2.2
151.07553	1.5
153.09105	2.4
156.03564	1.7
161.01282	1.1
161.09578	1.6
162.05455	1.8
163.07515	3.3
163.11174	100.0
164.11568	2.2
166.08626	1.5
167.07126	1.8
172.03925	5.0
173.13246	1.5
175.11221	3.3
177.00667	2.1
180.57541	1.1
181.04994	2.4
181.12230	19.5
183.10132	1.6
190.04988	22.8
193.12248	2.2
199.18092	2.5
200.18365	2.8
203.05286	1.2
205.12257	2.8
223.13219	1.6
252.59581	6.0
253.09637	3.2
263.07260	4.2
281.08331	2.4
297.11588	1.2
301.11472	1.5
324.61676	3.2
325.11047	1.3
325.16559	1.2
333.62115	1.7
343.04376	1.2
343.08896	1.8
343.13080	13.4
343.17462	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	342.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97916	2.0
53.03932	4.0
53.06255	1.9
55.01854	8.0
55.05505	58.4
56.96515	2.7
57.03418	8.1
57.07070	3.9
59.04966	4.0
67.05496	28.8
69.03407	8.3
69.06716	2.7
69.07063	32.7
69.88467	13.6
71.04984	4.4
79.05483	34.3
81.07051	29.5
83.04960	5.8
83.08607	34.5
83.59129	2.1
85.06535	2.8
91.05474	26.1
93.07036	35.5
95.04952	15.2
95.08598	29.1
97.06508	8.9
97.10162	73.6
99.88289	2.1
105.07012	33.3
107.04948	4.2
107.08581	100.0
109.06495	9.0
109.10104	3.8
111.08061	3.6
117.07009	12.6
119.08552	17.0
121.06477	3.2
121.10131	10.3
123.08044	7.7
125.08751	4.2
125.09621	71.4
129.06981	3.8
130.07697	3.2
131.08548	9.3
133.10158	12.3
135.08040	21.7
135.11650	5.0
141.34502	2.4
143.08603	4.6
143.10732	2.6
145.10103	32.7
147.08031	4.3
147.11656	7.5
149.09543	7.0
150.59700	2.3
151.07495	9.1
153.09081	10.2
157.10158	2.1
157.12245	5.4
159.11673	7.0
161.09644	4.0
161.13208	2.7
163.11150	13.3
165.09061	4.0
166.74321	2.4
171.11604	3.1
173.13229	4.4
181.12206	5.1
185.13176	2.4
203.12741	89.9
209.15343	2.4
219.17361	2.9
221.15350	6.1
221.52419	2.5
235.16913	2.2
239.17897	5.2
247.20467	3.3
257.19016	14.1
263.16516	2.4
271.05878	1.9
275.20004	42.9
289.21625	14.1
307.22678	8.1
325.21582	2.3
325.42810	1.9
331.13574	2.1
343.18671	28.4
343.22665	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	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31555	11.4
55.05494	52.5
57.07069	12.7
59.04967	14.3
67.05495	91.3
67.61140	13.1
69.07066	99.5
69.37569	73.0
69.38010	46.7
79.05486	85.0
79.66372	12.1
81.07054	100.0
83.04971	13.3
83.08600	36.2
84.25450	12.3
84.83252	13.6
85.48405	12.5
91.05488	74.4
93.07057	87.2
95.04334	10.3
95.04938	30.8
95.08600	78.5
97.06526	29.5
97.10172	44.6
98.21490	31.2
99.67946	11.2
102.72123	11.7
105.07023	46.4
107.08591	86.7
109.10131	52.8
111.08053	14.8
117.07033	21.5
119.08573	52.2
121.10125	43.1
125.09574	57.5
131.08571	20.3
133.10126	27.4
135.08037	15.3
135.11720	14.5
137.09612	25.3
145.10118	36.0
147.11670	16.8
149.09586	21.4
159.11661	20.5
173.11723	26.4
173.13185	13.6
203.12848	35.1
244.37335	14.7
275.20071	55.6
307.22363	14.3
319.21310	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05517	4.2
56.96547	1.1
57.03416	0.9
57.07068	1.6
67.05492	4.2
68.60722	0.6
69.03436	1.8
69.07077	2.8
70.06600	2.0
71.04999	1.7
71.08633	0.9
71.59595	1.1
72.08164	1.0
72.93800	1.0
79.05487	3.2
80.05898	0.8
80.55592	0.8
81.03423	2.1
81.07053	5.9
83.04992	1.9
83.08628	1.9
84.08146	1.7
85.02892	1.4
85.06529	1.4
86.09713	1.4
90.94850	1.3
91.05468	4.1
92.32895	0.8
93.07042	3.3
95.04982	1.8
95.08569	4.1
97.02885	1.8
97.06535	1.5
97.10243	0.7
100.11256	4.3
101.02364	0.8
103.05504	1.2
105.07027	6.0
107.04971	2.9
107.08612	2.9
109.06530	1.4
109.10195	3.2
111.04440	1.2
111.08092	1.7
115.05467	1.9
117.07043	1.5
119.04929	0.7
119.08606	2.2
121.10201	1.7
122.03651	2.0
125.09644	1.3
128.06210	1.7
129.06999	6.5
131.04953	1.8
131.08621	1.2
132.05692	1.5
133.06487	2.0
133.10150	2.8
135.04382	1.1
137.05975	26.5
144.05682	0.8
145.02840	0.9
145.06555	1.0
146.05949	1.1
147.04430	1.9
147.08040	2.4
147.11690	1.2
151.07550	1.1
151.11252	1.2
159.08078	3.0
160.05264	0.9
161.05966	4.8
161.09567	0.9
163.03934	1.5
165.07043	1.0
167.07007	6.6
172.05267	0.8
173.13351	0.9
174.06841	1.3
174.99077	1.0
175.07573	9.7
177.09108	1.1
178.05002	4.1
178.07846	1.6
179.03687	1.2
179.05367	6.1
179.06715	0.7
182.15546	1.5
187.07545	11.2
189.07388	0.9
189.09157	3.0
190.07878	1.1
191.08582	1.5
199.07654	1.1
202.07814	1.7
203.08609	3.1
205.06659	1.6
206.07372	2.0
210.15016	1.0
211.07564	1.1
217.08611	2.4
218.07150	1.2
219.08083	3.9
220.08826	1.5
221.09682	2.7
223.07619	1.1
223.09605	1.1
231.08095	2.8
234.06839	3.1
235.07733	1.3
237.09235	1.1
239.07115	1.2
241.09291	2.3
247.07568	2.1
248.08360	2.7
249.09174	3.0
251.07019	1.1
251.10742	3.1
259.07687	1.9
259.10248	1.6
263.10715	1.4
265.08667	1.3
271.09601	1.7
276.07999	1.1
277.08673	3.3
279.06613	0.9
279.10281	1.8
281.04861	0.9
281.11633	7.5
282.05203	1.4
283.09778	1.1
291.10126	4.6
293.08298	1.1
294.08945	1.5
295.09799	1.4
297.11237	0.9
299.05920	1.1
300.06100	3.9
308.10620	1.5
309.11166	9.2
311.12784	2.9
323.09229	1.6
323.12381	4.2
326.11469	1.2
341.07266	4.6
341.15796	100.0
342.16110	1.4
344.30914	1.2
362.10370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.2
55.05498	4.3
56.05029	3.4
56.96542	2.1
57.03420	2.8
60.04532	2.2
61.02926	1.7
65.03951	2.0
67.05492	2.9
67.90533	1.6
69.03423	3.7
69.07059	2.4
70.06585	29.2
71.04985	2.2
71.60308	2.5
72.08156	15.6
74.06075	2.2
79.05489	4.0
81.03407	3.6
81.07042	4.8
83.04958	1.7
83.06100	27.9
84.04493	4.9
84.08135	21.4
85.02882	5.4
85.06548	2.1
86.09692	16.3
91.05463	4.8
94.04178	2.7
95.04937	3.2
95.06022	1.6
95.08648	2.2
97.02873	1.6
98.97588	2.0
103.05424	3.2
105.07020	4.8
107.04915	3.6
109.02885	2.6
109.06489	3.5
110.07151	6.6
111.04433	3.0
111.05544	3.0
115.05418	2.0
116.07073	2.4
117.12704	1.7
119.04925	2.8
120.08085	6.3
121.06463	2.0
121.10197	1.8
122.03624	6.7
123.04410	5.8
123.08086	1.9
128.06198	2.0
129.07004	12.2
129.10245	12.0
131.04901	3.5
131.08701	1.4
132.08015	2.1
132.55086	1.5
133.02826	5.3
133.10094	4.1
135.04399	2.7
136.07545	3.2
137.05965	100.0
139.05333	2.5
143.08577	2.0
144.05705	2.9
145.06429	2.7
146.07133	1.9
147.04335	4.5
149.05943	4.1
151.03897	3.7
151.07541	4.3
153.05431	4.3
157.06450	7.1
157.13405	1.7
160.05284	2.1
160.07516	3.1
161.05948	4.1
161.07884	3.0
161.09592	4.4
162.09120	1.8
163.03888	6.4
163.07504	2.5
164.04564	1.6
165.05519	1.7
165.06935	2.1
171.08067	2.1
172.05199	5.9
174.06755	11.8
175.07549	6.3
177.05429	4.3
177.09097	2.0
179.03403	22.1
179.06966	3.5
179.10680	2.4
182.12897	17.3
183.14865	2.3
187.07529	41.8
189.05435	3.0
189.07216	2.2
189.09059	16.1
191.08516	5.2
196.14523	3.7
199.07487	5.1
202.07771	4.8
203.08504	11.6
204.09612	1.6
207.07774	2.9
210.12372	7.0
211.07463	5.8
217.08549	21.0
218.07307	2.2
219.08047	9.5
220.08856	5.6
221.05933	2.3
223.03770	1.7
227.06961	5.7
228.13423	2.0
231.08078	12.2
232.08841	3.4
233.05856	3.1
234.06776	2.2
235.07509	2.8
236.08293	4.0
237.09039	2.3
239.07001	4.3
240.07806	3.2
244.24095	1.5
247.07492	11.2
248.08301	18.4
249.05486	2.2
249.09137	2.7
250.06209	2.2
251.10641	5.8
253.08638	2.3
255.06511	4.7
256.07272	2.9
259.07516	6.4
260.08295	2.3
261.09064	4.4
263.10678	16.6
264.07782	4.5
265.08563	6.2
267.06494	1.9
268.07401	2.5
270.08878	10.1
271.09637	9.4
276.07892	7.3
277.08554	4.4
279.10104	14.5
281.08084	3.7
283.09668	2.6
291.10135	34.4
292.10776	2.5
293.07935	3.1
294.05176	2.9
295.06039	3.2
295.09430	1.9
296.10379	10.0
297.11008	1.7
308.10266	5.0
309.11093	1.8
311.12769	15.5
323.12778	36.4
341.10132	9.0
341.13782	19.0
341.17661	3.5
341.21759	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	341.1383
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01871	2.4
55.05505	3.9
56.05028	3.7
56.96553	2.9
57.07072	2.3
61.02904	3.0
67.05491	5.1
69.03429	3.8
69.07056	5.8
69.75870	6.9
69.76283	6.9
70.06593	19.3
72.08138	11.4
72.93776	4.9
73.02876	3.8
79.05496	11.6
81.03394	6.2
81.07038	9.7
83.04951	2.1
83.08614	2.5
84.04487	2.5
84.08141	47.6
85.02885	7.4
86.06023	2.0
86.09707	19.6
91.03934	2.9
91.05441	11.7
93.06992	4.4
95.04952	3.8
95.08607	2.8
97.02883	6.4
97.06552	2.4
97.10208	2.4
98.21619	2.5
98.97561	2.7
101.10792	3.0
103.05463	4.4
105.07018	11.7
107.04972	4.0
107.08558	4.7
107.76807	2.1
109.06510	5.2
109.10117	2.3
111.04424	2.5
115.05437	3.1
116.07085	3.7
116.98644	2.4
119.04974	5.1
119.08538	4.6
120.08105	3.2
121.06525	2.1
122.03655	6.8
123.04444	3.2
128.06226	2.9
129.07022	10.2
129.10233	13.7
130.08621	2.0
131.04910	5.9
133.02821	2.6
133.06488	8.2
133.10138	3.5
135.04411	3.1
137.05971	100.0
138.09126	3.1
144.05627	3.0
147.04393	5.2
147.07999	4.4
149.01227	3.3
149.05991	3.8
151.03877	3.8
151.07536	5.2
154.97884	2.7
157.06424	4.0
159.08107	4.1
161.05945	20.2
163.03867	2.4
163.07445	2.6
172.05196	5.1
172.98976	3.8
174.06737	6.6
175.07542	26.8
177.09175	3.5
179.03371	4.3
179.07016	3.9
183.14949	3.9
187.07536	27.3
189.07141	2.5
189.09030	10.8
191.08508	7.4
197.12805	3.6
197.16463	8.3
199.07463	4.2
202.07768	2.9
203.08522	11.5
205.06377	3.1
211.07530	3.7
217.08569	16.0
219.08054	12.9
220.08765	8.1
221.06082	2.4
227.06821	2.7
231.08067	12.0
232.08868	3.8
233.09689	3.1
235.07460	4.6
236.08308	5.9
237.09113	5.5
240.07799	2.2
247.07538	8.6
248.08348	15.3
249.08881	2.8
251.10776	10.5
252.09435	4.8
256.07318	2.4
259.07547	5.9
260.08908	2.8
263.10733	11.8
264.07751	3.7
265.08588	6.0
270.08847	2.6
271.09583	8.7
276.07782	7.7
277.08496	4.6
277.29688	2.3
279.10092	14.7
281.08035	4.8
281.11584	2.5
289.96310	3.1
291.10120	22.6
292.10547	2.7
293.08017	3.4
295.09592	2.8
296.10333	4.3
299.05652	3.0
306.21704	2.7
308.10413	5.1
309.11139	7.3
311.12796	15.2
323.09241	3.5
323.12805	27.8
323.24368	4.7
341.13766	26.7
341.21051	2.5
341.25461	5.1
358.66611	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	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.66628	1.3
53.03918	1.6
55.01854	3.2
55.05508	7.4
56.96556	3.7
57.03428	1.7
65.03918	2.8
67.05489	5.9
69.03415	3.6
69.07050	5.8
70.06580	4.0
71.01357	1.4
71.04975	5.7
71.11607	3.2
72.08148	1.9
74.66862	1.3
79.05489	8.4
81.03407	4.2
81.07050	11.2
82.06570	1.6
83.04957	4.2
83.08604	5.2
84.08122	2.6
85.02886	3.3
85.06534	1.8
86.09690	2.6
89.03886	2.4
91.05457	11.1
93.07037	5.6
94.04172	2.8
95.04955	7.0
95.08590	8.4
97.02859	2.5
100.11253	20.7
101.11597	3.0
103.05460	5.3
105.03410	1.6
105.07025	11.0
107.04956	8.5
107.08570	3.7
109.02887	2.0
109.06512	5.0
109.10159	5.7
111.04421	4.5
111.08080	2.0
115.05437	5.3
116.06203	1.6
117.07008	3.0
117.13954	1.6
119.04884	1.7
119.08547	4.1
121.06476	3.4
121.10100	2.8
122.03630	7.9
123.04422	3.4
123.11668	2.7
125.09581	1.7
128.06207	4.5
129.06998	21.6
131.04912	7.3
131.08519	3.3
133.02826	5.1
133.06459	3.5
133.10139	2.5
134.03601	1.8
135.04414	2.1
135.07928	2.0
137.05962	100.0
138.06354	1.9
141.11443	2.1
144.05687	4.9
145.06502	5.3
145.10161	2.6
147.04391	2.5
147.11647	2.9
149.05954	4.3
151.03885	3.3
151.07520	5.9
155.04871	2.2
157.06444	4.2
159.08020	8.2
159.11673	1.7
160.05176	5.9
161.05965	8.9
161.09564	2.9
163.03862	4.9
163.07475	4.5
165.05505	3.3
165.06992	1.9
166.08597	7.2
167.07027	13.5
172.05154	7.3
173.05991	2.4
174.06725	5.2
175.07523	24.0
177.05428	4.6
177.09102	3.4
178.07758	4.1
179.06946	4.3
182.15379	4.2
183.15726	3.6
187.07535	46.8
189.07281	1.6
189.09091	11.6
190.07744	2.5
191.07030	2.2
191.08527	7.1
193.09964	2.3
196.05190	3.3
197.05994	2.7
199.07561	4.8
202.07733	4.7
203.08554	12.0
205.06570	3.7
206.07216	3.9
207.07994	3.2
209.16437	2.0
210.14813	5.6
211.07494	19.5
213.05540	1.9
213.17848	1.6
217.08556	11.3
218.07109	2.7
219.08006	10.8
220.08760	7.1
221.05907	1.6
221.09590	7.8
223.07466	2.7
225.05432	1.7
227.06969	7.4
227.17477	3.3
227.67664	4.2
228.07816	1.7
231.08029	14.5
232.08597	1.6
233.05972	3.8
233.09619	2.6
234.06723	6.3
235.07533	3.8
236.08253	2.9
237.09016	5.2
238.09846	2.1
239.07010	13.2
240.07823	8.9
247.07547	6.4
248.08308	20.6
249.09099	12.5
250.06203	2.8
251.07047	2.3
251.10716	7.3
253.08624	2.4
255.06493	5.1
256.07437	6.8
259.07495	6.4
260.08310	2.3
261.09082	2.3
262.09583	1.7
263.07492	2.4
263.10620	15.7
264.07712	2.5
265.08578	4.5
266.09149	3.0
267.17041	1.6
268.07230	3.1
270.08832	7.9
271.09628	31.0
276.07733	9.6
277.08575	12.9
279.10071	10.7
281.08502	3.5
281.11606	19.5
283.09610	3.9
285.07578	2.5
291.10101	41.6
292.10898	2.2
293.08002	6.2
293.11081	1.7
294.08667	3.2
296.10428	2.8
297.11069	3.9
303.04935	2.1
308.10376	6.3
309.11118	20.5
310.11813	1.8
311.09500	1.9
311.12860	8.1
313.14047	1.6
323.12677	20.1
326.11429	2.8
341.06552	4.7
341.13519	23.7
343.30734	4.4
344.30908	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	341.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.05508	5.7
56.46565	1.5
57.03431	2.5
61.02908	5.6
66.81791	1.4
67.05500	7.6
69.03413	6.7
69.07058	4.8
69.50789	10.5
70.06577	5.2
71.04987	3.0
71.94103	1.3
72.08135	2.5
72.93193	1.3
73.02918	4.0
79.05485	5.7
81.03419	5.1
81.07053	11.8
82.06558	3.2
82.09557	1.5
83.04957	2.7
83.08605	1.8
84.08118	1.4
85.02913	5.5
85.06535	2.4
86.06064	3.0
86.09705	3.1
91.03949	4.3
91.05469	13.5
93.07050	7.6
93.60449	1.6
94.04181	1.6
95.04962	4.2
95.08602	6.7
97.02894	3.9
97.06538	3.2
99.04450	3.4
100.70068	1.4
103.05468	2.5
105.07025	7.6
107.04957	5.6
107.08591	4.7
109.02883	2.5
109.06512	2.4
109.10148	4.2
110.06046	2.6
111.04417	1.7
111.08070	3.6
115.05424	3.4
117.07029	3.3
119.04948	2.7
119.08595	12.0
121.06514	4.2
121.10154	3.0
122.03663	7.9
123.08086	2.2
123.11703	1.9
125.09617	1.7
127.03909	1.7
127.09599	1.4
128.06212	3.8
129.06990	6.4
131.04936	2.3
132.05701	4.0
133.02751	2.5
133.06415	2.3
133.10091	2.4
135.11734	1.8
137.05969	100.0
145.06482	4.5
147.04399	6.2
147.08055	8.2
147.11658	2.3
149.05901	1.6
149.09633	3.3
151.07466	1.5
154.05011	2.0
154.08623	8.8
155.08911	7.3
157.06494	1.9
160.05167	5.2
161.02869	1.8
161.05981	9.4
161.13217	1.9
163.03897	4.1
163.07597	2.0
165.07137	1.7
169.12248	1.9
172.09694	7.0
173.09995	5.0
174.06709	2.2
175.07539	65.1
177.09128	5.7
179.03413	4.0
179.05289	2.7
179.07001	1.9
179.14391	1.7
187.07599	6.9
189.09106	5.6
190.07834	2.8
191.08514	5.2
202.07913	3.0
203.08420	2.5
207.08060	2.5
211.13272	2.3
211.48308	1.6
213.16725	4.3
217.08644	2.9
219.08151	6.9
220.08760	2.1
231.08067	2.6
235.07513	3.6
236.08099	2.1
247.07558	3.0
248.08319	2.4
249.09142	2.0
251.10689	9.8
259.07593	2.5
263.10638	4.1
264.08020	1.7
265.05139	2.7
269.12335	1.9
277.08505	2.5
279.07437	1.6
279.10062	7.6
280.10788	1.5
281.08371	1.9
283.06216	5.9
284.06601	1.8
291.10126	4.1
295.09799	3.3
309.11053	2.2
311.12689	7.4
316.12759	2.6
323.12714	7.1
324.14523	3.4
339.08212	1.6
341.06482	4.2
341.10052	1.7
341.13907	12.0
341.21518	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	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01863	4.7
55.05497	5.9
56.96564	5.8
57.03412	2.0
57.07072	3.9
61.02915	6.7
65.03922	2.6
66.99644	1.5
67.05501	11.3
69.03421	5.6
69.07053	6.1
69.45181	14.7
70.06589	6.5
71.04990	8.1
72.08143	3.2
72.93782	4.6
73.02901	2.6
75.63117	1.6
79.05482	11.9
81.03417	6.3
81.07056	21.5
83.04973	5.5
83.08591	1.9
84.08145	2.4
85.02897	7.8
85.06543	4.7
86.09699	6.1
90.94798	4.1
91.03962	2.7
91.05444	11.5
93.07037	11.9
94.04163	3.6
95.04961	6.2
95.08587	8.9
95.41778	1.7
97.02891	6.5
97.06508	2.4
98.97590	3.0
99.04433	2.7
99.08062	2.1
103.05451	5.9
105.07027	12.2
107.04948	6.4
107.08601	7.0
109.02893	3.0
109.06490	4.2
109.10150	10.8
111.04460	2.4
111.08076	3.1
115.05449	5.7
116.98601	2.4
117.07006	3.2
119.04887	2.4
119.08587	4.7
120.08112	2.2
120.54370	1.5
121.06455	2.9
121.10107	8.3
122.03637	9.4
123.04413	2.9
123.11715	6.5
125.05998	2.6
125.09579	4.5
127.03981	2.4
128.06233	5.9
129.07002	16.9
131.04910	3.9
131.08560	3.4
132.15494	1.8
133.02852	5.6
133.06509	4.4
133.10083	3.5
135.04367	1.9
135.11742	2.5
137.05969	100.0
139.11252	1.8
144.05698	4.3
145.06506	3.6
145.10117	3.0
146.05991	5.7
147.04376	4.1
148.07565	3.5
149.01208	4.6
149.06003	3.7
149.09602	2.2
151.03879	3.4
151.07568	5.4
151.11203	2.0
153.01872	2.0
153.05455	3.1
155.04971	4.2
156.03653	2.6
157.06458	5.9
159.08046	6.0
160.05167	5.1
161.06004	11.6
161.09550	2.8
163.04027	1.8
163.07562	4.0
163.11148	3.1
165.05513	6.0
165.06960	2.3
167.06963	13.3
172.05247	5.1
174.06796	6.0
175.07539	22.0
177.05475	4.5
177.09068	2.9
178.07724	3.1
179.06944	3.8
179.08730	2.0
187.07521	50.9
187.09149	3.3
189.07582	2.0
189.09116	12.8
190.07753	3.4
191.08539	4.6
196.05180	5.8
197.05962	2.0
199.07550	4.8
202.07780	4.7
203.08572	16.9
205.06502	5.2
205.08511	2.4
206.07295	6.1
211.07532	20.6
212.04669	3.0
213.05566	2.4
217.06696	2.7
217.08586	13.6
218.07578	1.8
219.08049	11.4
220.08853	10.6
221.09666	8.8
223.07544	2.4
225.05511	4.4
225.40033	1.9
227.06985	11.4
228.07784	2.0
231.08047	18.6
232.08961	3.1
233.06044	4.1
234.06796	7.2
235.07513	5.7
237.09206	4.6
239.07011	12.1
240.07660	9.6
247.07545	8.3
248.08257	24.2
249.09084	9.5
250.06532	2.4
251.07018	4.6
251.10715	4.9
253.12560	2.1
254.09193	1.8
255.06471	10.4
256.07422	8.5
259.07590	6.9
260.08862	4.0
262.06296	2.9
263.07886	2.7
263.10666	18.8
264.07776	2.8
265.08557	7.9
266.09479	3.5
267.06784	9.5
267.09692	2.3
268.07147	4.7
269.08203	2.1
270.08823	22.4
271.09641	39.3
276.07767	11.4
277.08545	11.6
279.06796	3.5
279.10178	10.7
280.10931	2.9
281.11707	18.7
283.06430	3.1
283.09613	7.9
285.07794	7.2
291.10156	52.1
292.10880	5.4
293.08124	6.7
293.11548	1.8
294.08859	4.7
295.09882	2.6
296.10403	6.7
297.11301	4.9
301.06900	2.2
305.24847	1.9
308.10248	7.1
309.11172	20.3
310.12042	3.9
311.09332	3.8
311.12738	11.0
313.14691	2.7
323.12762	39.1
323.25858	2.3
326.11801	2.5
341.13794	37.3
342.06091	3.9
358.98416	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	340.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.7
55.05507	20.7
55.44201	3.5
56.96556	4.4
57.03432	8.3
57.07075	4.5
62.91477	3.5
67.05502	58.2
69.03435	7.2
69.07063	17.6
70.10345	7.7
70.10750	12.2
70.29753	3.2
79.05489	28.7
81.03423	4.8
81.07054	54.3
83.04993	20.7
83.08605	8.8
85.06567	6.5
91.05463	35.7
93.07035	31.3
95.04948	8.6
95.08583	19.5
98.20810	5.1
99.04459	4.6
100.11227	6.1
105.07024	50.4
107.08583	40.0
109.06491	4.9
109.10146	58.4
117.07000	3.7
119.08565	9.0
121.06512	3.8
121.10105	6.6
123.08101	5.3
123.11691	16.3
131.08528	6.0
133.06467	6.5
133.10121	100.0
133.11079	7.2
134.10503	4.2
141.09065	4.3
149.09581	4.9
151.11171	98.1
161.09619	5.8
177.09169	5.7
179.10690	14.9
183.13777	27.1
206.04782	3.4
273.18411	7.6
281.26804	5.5
291.19305	8.2
298.29355	11.0
305.21262	6.2
339.77933	5.4
340.30124	16.5
340.35135	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	341.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61815	2.0
52.52969	1.6
56.96566	27.6
58.99852	3.6
60.04516	2.6
61.80029	1.9
61.85966	1.7
69.03429	2.3
70.22256	5.7
71.67406	1.9
71.95243	2.2
74.93152	2.4
77.00906	3.5
81.03407	5.1
84.96026	3.1
85.01410	2.1
86.99303	3.9
98.97569	39.2
101.00869	8.4
102.01650	3.5
103.02435	25.8
105.00347	4.7
113.00833	3.2
115.02388	9.7
116.98606	31.8
119.01910	30.9
120.02685	3.2
120.97926	1.9
121.03472	17.9
127.02399	6.8
127.06441	1.7
128.98570	2.8
129.03888	1.8
131.01906	18.4
133.03458	96.2
134.03574	3.5
134.99657	28.3
137.02943	5.4
139.02385	5.7
141.03941	3.4
142.00426	3.1
143.00134	1.8
143.01851	5.0
145.03447	50.3
146.99538	3.5
149.02954	4.2
150.99031	2.0
151.04517	66.8
152.04625	2.9
153.00688	5.8
154.01244	2.4
154.94179	2.5
157.03458	31.6
159.05034	8.5
161.01250	2.3
161.01558	2.6
161.02959	23.1
163.04559	9.9
165.97887	2.6
167.01874	11.6
169.03452	10.8
171.05006	35.0
172.95291	4.6
174.96156	2.1
174.97589	4.4
175.04515	69.8
176.04709	2.1
177.00946	3.6
182.98067	13.2
183.05052	3.6
185.02960	49.4
186.99139	2.4
187.04524	28.8
189.06099	24.2
190.96005	1.7
192.98750	3.5
194.97894	2.2
195.98862	12.0
196.99487	3.1
199.04544	3.7
200.99205	7.4
201.06067	79.8
202.06236	3.2
203.04010	11.5
208.96588	2.9
208.99669	3.0
212.99084	2.8
213.06052	10.0
213.99911	9.6
215.70863	2.0
216.98689	6.9
217.05542	30.2
218.05785	2.8
219.01984	10.9
220.99632	7.0
221.01872	2.8
224.99144	2.1
227.00615	3.2
227.97818	3.0
228.98076	2.0
229.03766	2.5
229.05774	2.8
230.98038	9.6
231.00046	3.6
232.96471	3.6
234.99646	11.4
235.06589	3.0
239.00671	24.3
241.05641	12.0
246.91151	2.0
248.99176	26.3
249.99065	2.5
250.97632	3.5
251.00528	2.2
253.02264	14.2
258.99832	3.0
259.06583	2.3
259.91544	2.1
261.03122	3.2
267.00189	35.0
271.03278	3.1
273.97910	2.4
274.97751	5.7
277.00894	5.5
278.25327	2.1
279.04135	3.3
281.01736	89.7
282.01962	6.1
285.01331	13.5
290.95532	2.5
298.97781	12.2
305.01669	17.1
314.95612	2.2
316.91522	2.7
316.98999	17.4
317.99329	2.5
321.01511	2.2
323.02832	9.7
325.99414	2.6
334.99780	4.5
341.03848	100.0
342.03952	5.5
358.99976	8.4
359.04889	36.3
360.00296	2.3
360.04794	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	340.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44439	0.6
55.05505	14.9
56.05027	1.2
56.96551	0.9
58.06599	0.7
59.04994	1.0
60.04497	0.7
64.89901	0.7
67.05504	4.0
69.03404	1.2
69.07063	9.1
70.02932	1.3
70.06594	3.2
71.04975	0.8
71.26051	0.7
71.61082	1.3
72.04503	0.9
72.08145	1.5
72.51632	0.6
72.99151	0.6
73.06538	0.8
75.26183	0.6
79.05471	2.1
81.03419	0.9
81.07038	4.7
82.06573	22.5
82.07356	1.2
83.04973	9.9
83.08602	0.8
84.04472	1.2
84.08118	2.2
85.06535	2.3
86.06063	13.9
86.09685	1.4
91.05457	2.3
93.07036	3.1
95.04973	1.5
95.08588	2.4
96.08123	7.1
97.02879	1.0
97.06520	1.0
98.06033	1.6
98.09684	7.8
99.04458	5.3
99.10036	0.8
100.07620	1.0
100.11244	1.2
101.06050	3.4
101.06590	0.6
103.05382	0.8
105.07034	2.3
107.04932	0.8
107.08585	2.4
108.08118	2.0
109.06510	3.0
109.10101	1.4
110.06025	15.0
110.09663	1.5
111.04432	7.1
111.08120	0.7
112.07545	0.9
113.05996	0.7
114.09161	1.1
116.10741	4.8
119.08538	1.1
120.08079	1.3
121.06492	0.7
121.10159	1.0
122.09671	1.6
123.11655	1.1
124.07586	6.1
126.09142	11.4
128.07063	2.5
129.05464	2.1
129.06989	0.9
129.10254	0.9
131.08563	1.0
133.06511	0.9
134.09596	0.9
135.11726	1.1
136.07545	2.1
136.11192	1.7
137.05960	4.1
137.09659	1.2
138.09120	1.3
139.10034	0.6
140.10646	0.9
141.09070	0.6
142.08623	11.1
142.12279	0.8
146.79868	0.6
148.24945	0.7
150.09103	0.8
151.11192	2.3
152.10687	1.3
154.08615	100.0
154.12212	2.2
155.07001	2.6
155.08926	1.4
164.14352	0.7
166.08644	2.9
169.12256	9.2
172.09669	81.7
173.08090	5.9
175.07481	1.0
176.10677	1.3
177.11456	2.0
178.04973	1.6
187.07585	1.4
190.12245	1.5
194.15421	2.0
208.13222	0.9
212.16438	50.8
213.16713	0.7
219.16261	0.8
226.14342	6.4
236.12711	0.9
239.05861	0.9
244.15372	1.9
257.07004	1.0
269.18546	0.8
278.17590	0.8
279.15887	5.4
280.15439	1.2
299.08017	1.1
304.19113	0.8
322.20123	11.1
340.21167	67.5
341.06580	1.0
341.21536	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	340.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47792	0.9
55.01850	1.0
55.05509	11.2
58.52115	0.8
65.95575	0.8
67.05486	3.3
69.03417	2.7
69.07063	9.1
70.06614	2.0
70.12625	0.8
70.66096	2.0
70.66470	1.7
79.05485	2.6
81.07056	5.2
82.06573	23.0
83.04976	8.9
83.08616	1.2
84.08150	1.4
85.02892	1.5
85.06525	2.3
86.06066	14.4
86.09720	1.6
87.04482	1.1
90.77674	0.9
91.05488	2.1
93.07040	3.1
95.04980	1.3
95.08575	2.2
96.08118	7.1
97.02880	1.0
97.06520	1.7
98.06046	2.5
98.09686	6.9
99.04437	6.1
101.06000	4.6
105.07003	2.6
107.04935	1.8
107.08606	2.4
108.08106	2.6
109.06504	2.6
109.10140	1.7
110.06036	14.8
110.07153	1.0
110.09724	0.9
111.04408	6.5
112.07632	1.3
116.10725	4.8
119.08595	1.7
121.10136	1.2
122.06030	1.0
122.09625	2.0
124.07590	5.5
124.08346	0.8
126.09147	11.5
128.07095	2.1
129.05472	3.1
129.06964	1.4
133.06383	0.9
133.10118	0.9
134.09595	1.1
136.07542	3.2
136.11273	1.0
137.05943	3.0
138.09108	1.9
139.10001	0.9
142.08624	12.3
147.11629	0.9
150.09192	1.0
151.11215	2.8
152.10654	1.3
154.08617	100.0
155.07025	2.5
159.08032	1.2
163.03909	1.6
164.10661	1.1
166.08636	2.1
167.06938	2.0
167.26111	0.9
169.12219	10.0
172.09671	80.8
173.08139	8.2
173.09581	1.4
175.07623	1.0
177.11487	1.2
178.05026	2.7
182.08112	1.6
187.07512	3.4
190.12306	1.6
194.15382	4.4
207.08070	1.0
212.16432	50.3
213.16855	1.0
219.07964	0.9
226.14374	3.5
244.15413	1.7
249.09058	2.1
250.10760	1.7
250.14301	1.0
268.11688	0.9
279.16010	5.8
280.15521	1.3
281.11768	1.9
288.05637	0.9
295.09601	1.2
309.11053	3.3
322.20114	12.7
340.21161	81.2
341.13791	3.0
341.21503	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	339.2527
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.25087	4.0
52.36328	3.2
53.03942	4.8
55.05503	19.9
56.96552	9.0
57.03424	12.0
57.07066	7.3
65.03928	4.2
67.05502	100.0
69.03432	4.1
69.07059	15.3
71.04987	4.9
71.60390	6.7
79.05496	49.6
81.03421	9.8
81.07056	86.9
83.08605	10.2
85.06541	6.5
90.39639	3.8
90.62343	3.3
91.05466	30.5
93.07040	65.7
95.04948	6.8
95.08603	95.8
97.06519	6.7
97.10175	7.4
98.97582	11.9
105.07027	23.8
107.08580	45.6
109.10167	56.4
111.08087	3.8
116.98611	15.4
117.07028	14.1
119.08550	24.5
121.06524	3.7
121.10149	47.0
123.11699	16.6
129.06976	4.6
130.48828	3.7
131.08594	18.2
133.10149	20.5
134.99605	8.2
135.11681	31.4
137.09627	4.9
137.13248	4.4
138.67407	3.9
139.11169	5.1
145.10133	18.9
147.11676	15.2
149.01094	3.8
149.13280	14.1
157.10196	3.7
159.11682	21.3
161.13275	8.7
163.14935	4.1
173.13269	11.9
175.14809	3.8
183.11865	3.6
187.14819	6.8
207.13507	3.6
229.19489	22.8
230.19656	3.8
231.67711	3.8
247.20586	86.8
248.21022	5.4
256.96176	3.8
265.21625	4.4
267.08929	5.4
274.97449	18.8
283.16821	4.4
285.10193	4.5
289.17664	3.4
292.98575	20.3
321.24084	10.9
339.25400	16.0
357.40680	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	340.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63654	1.4
55.05501	14.5
56.96552	5.6
57.03415	1.7
58.06596	1.8
61.02931	2.7
67.05494	6.8
69.03412	3.7
69.07059	7.8
70.02946	2.3
70.06596	2.5
79.05479	5.5
81.03421	3.0
81.07049	9.2
82.06577	22.1
83.04976	9.7
83.08614	2.4
85.02902	3.8
86.06059	14.5
91.03906	2.7
91.05499	5.4
93.07028	4.1
95.04959	2.8
95.08595	3.4
96.08105	6.7
97.02901	2.9
97.06522	3.3
98.09674	4.1
98.86736	1.5
99.04433	5.9
100.11205	2.0
101.06012	4.9
105.07030	3.7
107.04994	1.6
107.08600	2.8
108.08097	3.1
109.06508	1.9
109.10145	3.5
110.06028	15.3
111.04422	4.6
116.10699	5.5
118.59328	1.6
119.08569	3.9
121.10139	3.6
123.08106	2.5
124.07574	6.2
126.09126	11.8
127.03880	1.7
128.07132	2.2
129.05472	3.0
131.08568	1.7
133.10158	2.1
134.99626	2.4
142.07703	1.8
142.08659	11.6
145.10104	1.8
149.09747	1.8
150.09122	1.7
151.11177	4.2
154.08614	100.0
155.07036	3.2
166.08672	3.3
169.12267	9.3
172.09676	84.8
173.08051	6.8
194.15532	2.0
212.16446	50.5
239.09430	2.3
244.15349	2.7
251.10986	2.1
254.11848	5.1
269.12326	4.6
279.16022	3.5
322.20059	11.4
340.15335	7.1
340.21161	70.1
341.21375	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	339.2526
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03941	4.0
55.05503	17.8
56.96556	2.0
57.03423	7.5
57.07063	3.6
58.05479	1.9
64.65853	2.0
65.03927	4.4
66.32536	1.9
67.05498	100.0
67.39111	2.4
69.07066	12.8
69.29315	20.1
71.04996	3.1
74.10347	1.7
79.05485	46.0
80.80247	1.7
81.03416	2.9
81.07048	99.9
83.08610	8.7
85.06531	4.6
87.39497	1.8
91.05470	24.9
93.07035	66.6
94.07377	3.3
95.04936	3.8
95.08598	92.5
96.08945	2.8
97.06522	4.7
97.10152	3.9
98.97604	3.7
99.08109	2.6
105.07027	26.7
107.08588	48.7
109.06506	4.3
109.10143	63.4
111.08061	3.3
116.98644	4.0
117.06965	9.4
119.08553	20.8
121.10123	45.1
123.07983	2.1
123.11684	18.8
125.09637	1.9
131.08554	21.0
133.10107	23.3
134.99661	5.4
135.11665	32.1
137.09583	1.9
137.13234	4.6
139.11154	2.4
145.10103	21.4
147.11662	19.0
149.13245	24.7
151.11145	2.5
159.11664	23.8
161.13231	6.5
163.14795	6.3
165.12732	3.3
173.13242	11.4
187.14822	5.5
191.14215	2.7
201.16446	2.0
205.16058	2.1
219.21016	5.3
219.70503	2.2
229.19504	26.2
230.19943	2.0
247.20544	91.7
248.20914	5.0
265.21677	7.8
274.97372	8.7
283.16864	2.5
292.98431	5.7
321.20764	2.2
321.24170	13.1
339.25253	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.79079	0.8
65.03924	0.9
67.05480	0.8
69.87556	1.9
69.87962	2.0
70.06574	1.4
82.15400	0.6
91.05479	9.1
108.17085	0.7
111.04316	0.7
119.04935	25.3
132.29880	0.7
139.80339	0.6
147.04401	100.0
148.04674	0.9
153.24605	0.6
190.20074	0.8
339.08722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
65.03927	0.7
71.18504	1.1
72.59416	0.5
83.04991	0.7
91.05479	11.4
105.40437	0.5
106.36013	0.5
118.13803	0.6
119.04937	24.3
120.05230	0.7
147.04399	100.0
148.04715	1.4
216.64746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
64.09573	1.7
69.03406	2.8
70.19703	1.8
70.20034	7.7
91.05464	12.7
112.42115	1.8
119.04935	24.8
147.04401	100.0
148.04750	2.0
177.05435	3.1
234.17749	1.8
280.21326	1.7
339.08740	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	339.2527
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.83942	0.6
53.03931	3.3
55.01855	2.7
55.05506	47.9
56.05821	1.2
56.96556	2.1
57.03431	1.8
57.07063	2.2
59.04997	0.9
65.03923	1.6
67.05496	13.8
69.03423	8.0
69.07062	22.6
69.59395	2.8
69.59822	2.6
70.06587	1.4
71.04979	2.7
71.08597	0.8
72.08147	1.3
73.02916	1.3
73.06575	0.7
75.25714	0.6
79.05486	10.0
79.26983	0.8
81.03409	13.0
81.07050	26.2
83.04976	4.2
83.08614	5.8
83.54704	0.7
84.04487	0.9
84.08153	1.7
85.02891	3.3
85.06542	3.5
89.03907	2.5
90.94799	0.7
91.05475	8.3
93.07033	14.0
94.06593	0.9
95.04956	5.0
95.08600	27.6
96.08128	1.1
96.27669	0.7
97.02896	4.3
97.06519	5.7
97.10159	100.0
98.10474	2.3
98.20760	1.7
99.04436	1.3
99.08073	2.1
100.11250	1.1
101.05992	1.3
103.05476	2.2
105.07018	10.8
107.04984	1.7
107.08586	10.8
109.02884	3.7
109.06526	3.2
109.10146	10.6
111.04438	4.7
111.08078	3.1
111.11716	2.3
115.07594	1.0
116.01723	1.0
116.04961	1.2
117.03371	4.6
117.07001	1.8
119.04937	1.9
119.08559	9.1
120.08086	1.5
121.02846	1.5
121.06499	2.4
121.10134	8.3
122.06025	11.6
123.04501	1.2
123.08051	1.8
123.11686	6.1
125.09613	19.1
127.03905	2.8
129.07019	1.5
131.08559	3.1
133.06557	0.8
133.10092	5.6
134.99651	0.7
135.08043	1.7
135.11650	5.8
136.07588	6.0
137.05972	2.4
137.09624	1.8
137.13228	1.2
139.11183	4.9
143.10660	37.8
143.11789	1.8
144.04427	2.1
145.02815	10.4
145.06494	1.0
145.10155	2.9
147.04385	2.8
147.08017	1.1
147.11662	5.9
148.07550	0.8
149.05971	2.6
149.09676	1.1
149.13258	5.8
151.14772	1.7
153.12727	1.1
155.08585	1.1
157.10167	1.7
157.12260	2.8
159.08125	1.0
159.11690	3.2
161.01180	1.0
161.05922	0.8
161.13254	5.5
163.03918	1.6
163.11203	1.6
165.05484	1.6
165.06967	0.9
165.09167	1.2
165.12796	2.5
171.10161	3.0
171.11682	1.2
172.03909	8.1
173.13295	2.0
175.03853	1.1
175.11168	1.2
175.14870	1.3
176.14308	0.9
177.05450	18.7
177.12698	1.8
178.05026	2.3
179.14328	1.4
185.13411	1.0
187.14789	2.7
189.11217	10.9
189.12790	1.0
189.16307	1.0
191.08562	0.8
193.12195	1.3
195.13725	1.7
197.13394	0.9
201.16344	1.0
202.07808	1.1
202.54530	0.7
203.03384	0.9
203.05975	1.0
204.06584	10.3
205.06586	0.9
207.06400	0.9
219.08070	3.2
223.16927	1.2
225.09149	1.1
235.07594	2.3
246.06802	0.8
251.10587	1.5
253.08772	1.3
261.09167	1.2
263.06949	1.0
264.07739	1.5
265.08560	1.7
266.83145	0.8
267.09027	4.8
274.06363	0.8
275.24020	1.0
278.09128	0.8
279.10382	2.2
281.07919	0.8
283.05972	0.8
285.10068	5.6
285.22153	1.2
293.24634	0.9
297.07916	0.9
303.23199	6.7
307.09583	3.7
308.10611	0.9
309.24274	2.5
311.05484	1.3
311.12872	3.3
317.12720	2.8
321.24225	16.4
322.24564	0.9
339.04956	1.9
339.08633	3.0
339.12500	8.9
339.17889	3.4
339.22900	1.3
339.25681	1.7
340.12677	2.5
340.18896	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	338.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77511	1.3
51.80569	1.3
55.05507	10.2
56.05020	3.6
57.07072	13.5
67.02977	1.2
67.05479	1.4
69.07058	4.8
70.21986	2.7
70.22372	3.2
71.08617	5.7
72.08124	1.4
72.51125	1.6
74.06071	5.8
78.82986	1.3
81.04510	1.5
81.07034	1.6
83.08611	9.1
85.10172	1.5
88.07627	19.7
94.06573	1.5
95.06145	2.0
95.08627	1.4
97.10172	1.4
98.21411	1.3
102.09181	8.8
107.49328	1.4
108.05578	1.4
110.07172	3.5
112.08694	1.7
115.49128	1.3
116.10710	3.0
122.07075	1.5
133.29095	1.7
134.07191	1.8
134.09636	39.4
135.09940	1.5
136.08757	2.1
148.08743	2.1
149.08191	1.3
163.09737	1.9
173.08240	1.3
187.09818	1.9
211.07233	1.4
256.26328	96.9
257.26593	3.0
266.18961	3.1
266.33865	1.3
267.19656	5.4
337.65744	1.4
338.18826	2.4
338.28397	69.2
338.34137	100.0
339.28653	7.6
339.34494	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	339.1072
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.62556	1.1
60.01011	0.9
65.03927	1.0
69.03436	1.0
69.84975	5.0
84.08109	0.9
91.05471	12.2
119.04932	27.9
136.07597	1.2
147.04402	100.0
148.04753	1.9
162.19557	1.0
164.07088	1.9
204.75420	1.1
266.90244	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	338.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01863	5.0
55.05500	8.1
55.93516	5.2
56.05025	4.7
56.96555	4.6
57.03415	7.9
58.12253	2.3
60.04527	44.2
62.36381	2.8
62.98056	2.5
67.05515	20.3
67.60851	2.6
68.05036	4.2
69.03424	7.8
69.07054	9.2
69.94117	6.1
69.94507	12.9
70.06590	16.9
70.06895	2.5
71.04987	56.5
72.08134	4.9
72.93777	5.1
74.06083	5.0
79.05484	13.7
80.04991	5.5
81.03410	26.2
81.07052	20.6
82.06563	2.7
83.04974	10.4
84.04494	6.5
84.08138	13.7
85.02900	17.0
85.06533	13.3
86.09700	3.4
88.03990	4.4
91.05464	7.9
93.07043	20.4
94.06564	6.0
95.04961	7.8
95.08124	3.0
95.08609	29.1
97.02879	8.4
97.06519	8.4
98.06039	13.5
99.04449	41.5
99.08092	7.0
105.07004	9.6
107.04906	2.9
109.02846	10.8
110.07162	4.3
110.09674	8.8
111.08049	11.5
112.03974	3.4
112.07602	4.2
116.07097	4.4
118.06495	2.9
119.04908	7.6
120.08089	11.1
122.05981	5.1
122.09670	17.0
123.08064	63.2
124.03909	4.5
126.05479	9.0
127.03902	12.0
128.10732	13.5
130.06555	3.1
132.95778	3.7
133.04877	3.5
134.05980	3.3
136.07581	9.5
138.05511	4.4
140.07071	19.8
140.10696	100.0
141.09087	22.9
144.06567	28.2
146.97380	3.6
147.04410	29.8
148.04631	3.2
149.02919	3.2
150.96872	3.3
158.06017	4.3
158.11743	13.5
163.03914	3.2
164.10732	3.3
168.06583	22.3
175.05838	5.8
175.08659	3.1
176.07050	14.9
176.09114	4.9
176.12834	7.8
177.05916	3.1
177.10150	4.1
186.07594	15.1
209.01132	4.5
217.09691	3.0
218.10091	6.5
219.01854	4.7
237.02773	4.4
238.14386	4.2
248.12874	4.0
254.13806	3.0
266.13812	16.0
284.14856	43.5
286.75128	3.2
292.09326	4.6
296.04410	2.7
302.15988	74.8
320.17035	80.6
338.09775	56.5
338.13660	4.9
338.18155	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	338.1594
Annotation	3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropan-6beta-ol
Peak:m/z	Relative Intensity
53.03932	0.4
55.01869	1.3
55.05509	6.0
55.23149	0.4
56.96551	1.7
57.03414	0.8
58.76397	0.4
59.36998	0.4
61.02943	0.4
67.05489	1.4
69.03436	0.7
69.07063	4.2
69.42896	1.3
69.43315	2.3
70.06582	1.0
71.04985	3.5
72.08141	1.2
79.05468	0.7
81.07041	0.6
83.04967	1.7
83.08614	13.2
84.08135	1.1
84.96033	0.5
85.02893	3.6
86.09682	1.2
87.08129	0.3
88.12220	0.4
91.05471	12.1
93.07023	1.5
95.04948	1.8
95.05468	0.4
95.08602	0.8
97.02874	1.4
97.06481	0.5
98.97578	0.9
103.05460	0.4
103.99541	0.4
107.04925	0.7
109.02876	0.7
109.06498	0.8
110.09697	0.5
111.08080	3.5
116.98609	0.8
118.06525	0.8
119.04932	15.0
119.05773	0.9
120.08107	0.8
121.06453	0.6
123.04413	7.3
129.05504	0.7
129.09169	0.4
136.07567	100.0
137.07933	2.1
139.07558	0.6
143.00215	0.6
147.04381	3.5
161.01212	0.7
165.05457	11.7
166.29085	0.4
175.09650	2.3
177.00620	0.5
177.05374	0.6
182.08115	10.8
244.03003	0.6
253.03685	1.1
253.53798	0.8
256.13312	1.0
257.04578	0.5
262.04218	1.1
264.54413	0.7
274.14340	17.6
275.14539	0.6
287.05450	6.8
288.05832	1.6
292.15421	16.3
317.06091	0.9
320.14746	1.9
326.06546	0.9
338.10779	0.7
338.15869	0.4
338.23483	0.5
343.01074	0.9
361.02267	9.2
361.06577	0.6
362.02625	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	337.2733
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03944	1.6
55.01856	1.4
55.05507	30.4
57.03431	18.5
57.07066	6.0
64.94994	0.7
65.03924	2.4
67.05499	63.7
68.05813	1.5
69.07064	37.6
69.48502	7.7
71.04967	2.4
71.08612	2.3
79.05058	1.2
79.05486	18.1
81.07051	62.3
82.07373	1.4
83.04967	2.2
83.08611	21.3
85.06504	2.0
85.10165	1.0
91.05464	10.4
92.55154	0.8
93.07040	17.3
94.07346	1.0
95.04948	2.1
95.08599	47.6
96.08935	1.5
97.06510	4.2
97.10152	11.8
98.21500	1.8
99.08083	1.4
105.07010	8.5
107.08584	10.1
109.06487	1.6
109.09448	1.5
109.10149	22.2
111.08040	3.0
111.11721	1.8
119.08568	5.4
121.10130	8.7
123.08028	1.5
123.11696	10.7
133.10114	9.3
135.11716	5.3
137.09647	1.4
137.13220	3.8
147.11694	4.5
149.13268	4.2
151.14801	1.4
153.41328	0.9
161.13254	3.2
163.14816	2.6
175.14844	2.1
177.16328	0.9
189.16374	0.9
193.15683	1.1
211.70428	0.9
243.86786	0.8
245.22685	1.7
263.23679	4.1
337.27341	100.0
338.27704	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	338.1232
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
55.01854	0.6
56.05033	1.0
56.39037	0.5
56.96559	0.5
57.03421	1.0
58.06598	0.6
60.04514	1.2
61.02917	2.6
69.03429	5.7
69.07044	0.7
70.06592	6.1
70.79540	0.5
71.04980	1.1
72.08141	1.9
73.02910	1.4
74.06068	0.9
81.03414	2.5
81.07067	0.7
81.70604	0.5
84.04508	1.3
84.08140	4.0
85.02901	10.1
86.09702	2.0
87.04460	1.7
91.05472	1.8
95.04946	0.8
97.02892	4.3
97.06516	3.4
97.49919	0.4
99.04440	1.3
101.07133	0.6
102.05523	0.8
103.05456	0.6
107.04938	1.0
109.02863	1.4
110.07155	0.8
116.07108	0.7
116.98593	0.8
117.03426	0.5
119.04939	4.2
120.08095	5.6
127.03902	2.3
129.10258	1.8
130.06541	3.6
135.04410	2.2
136.06157	2.5
136.07541	0.8
145.02852	1.2
145.04997	0.7
147.04407	14.6
149.05981	0.5
158.06009	13.7
159.06461	0.6
163.03909	12.1
166.08603	0.8
176.07062	100.0
177.05493	1.1
177.07402	2.5
178.05051	0.6
188.59528	0.6
191.03467	0.6
191.11742	0.7
203.03383	11.6
203.05171	0.9
206.04582	0.9
215.03474	0.6
216.10231	0.8
221.12840	2.0
223.41989	0.6
231.02902	1.0
261.03964	0.6
279.04947	0.8
291.05008	0.9
338.12305	16.8
338.15802	0.9
339.07230	0.9
354.97375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.00309	0.6
53.03934	2.5
53.88764	0.3
55.01867	2.0
55.05509	43.6
56.05850	0.4
57.03433	30.3
57.07073	7.0
57.41672	0.4
58.03774	0.4
65.03943	3.2
67.05499	96.5
67.64702	0.4
68.05836	0.9
69.03418	0.9
69.07062	57.5
70.84249	1.2
71.04993	2.3
71.08626	2.5
77.03929	0.5
79.05489	25.3
81.07051	88.6
82.07391	1.2
83.04976	2.9
83.08614	25.0
85.06532	2.0
85.10174	0.9
91.05476	15.7
93.07040	23.3
93.54980	0.4
94.07377	0.5
95.04950	2.5
95.08600	62.0
96.08932	1.2
97.06538	5.5
97.10160	13.4
99.08086	2.1
102.46770	0.4
105.07022	11.0
106.07336	0.5
107.08592	12.0
108.09010	0.4
109.06509	1.5
109.10149	26.4
111.08076	2.7
111.11703	3.0
113.09631	1.0
117.07048	0.4
119.08579	9.5
121.10143	11.2
121.89431	0.4
123.08046	1.2
123.11703	11.4
125.09579	1.8
131.08508	0.6
131.85709	0.4
133.10118	10.3
133.11076	0.7
135.11691	4.9
137.09630	1.3
137.13242	5.0
139.11212	0.7
145.10187	0.5
147.11681	5.8
149.13271	3.0
151.11145	0.8
151.14787	1.7
153.12726	0.7
161.13231	4.7
163.14856	2.8
165.12781	0.6
175.14828	2.6
177.16420	1.0
179.14265	0.6
181.15836	0.5
189.16374	1.4
193.15964	0.6
203.17943	0.7
245.22609	1.6
263.23685	3.6
337.27338	100.0
338.27686	4.6
346.42902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.70269	1.0
53.03942	2.6
55.01866	1.8
55.05510	38.4
57.03434	25.8
57.07073	6.6
65.03927	3.7
65.91959	0.8
67.05503	88.8
68.05824	1.1
69.07066	45.8
70.14732	4.8
71.04984	2.3
71.08625	3.4
79.05489	21.1
81.07053	82.2
83.04960	3.1
83.08617	24.7
83.78523	1.0
85.06526	2.7
85.10182	1.6
91.05475	14.3
93.07034	19.4
95.04961	2.3
95.08605	62.7
96.08923	1.1
97.06533	5.8
97.10162	12.9
99.08083	1.4
101.47054	0.9
105.07024	9.9
107.08588	12.4
109.06520	1.1
109.10152	25.9
111.08106	2.1
111.11675	2.3
113.09653	1.2
119.08569	8.8
121.10147	9.2
123.08109	1.1
123.11696	10.7
125.09637	1.0
127.13509	0.9
133.10117	9.2
135.11710	6.2
137.13271	2.8
137.85049	0.9
147.11676	5.5
149.13237	3.9
151.14818	2.4
153.07176	1.1
153.12762	1.1
161.13261	5.4
163.14803	3.4
165.12688	1.6
167.14410	1.0
175.14854	3.1
189.16331	1.5
202.74211	0.9
214.67154	1.1
245.22681	3.2
263.23709	5.5
337.27350	100.0
338.27655	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2372
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
53.03941	7.6
55.01861	9.6
55.05509	36.6
56.96558	16.0
57.03434	8.2
57.07072	8.8
59.04988	5.6
61.02912	4.7
65.03941	6.5
66.17653	4.5
67.05497	56.6
67.22300	4.3
69.03426	27.6
69.07068	54.5
70.09449	21.3
71.04985	31.4
72.08146	5.4
74.34058	3.8
79.05495	45.2
81.03408	15.0
81.07053	75.4
83.04973	25.9
83.08608	15.2
85.02887	14.9
85.06519	12.6
87.04513	4.1
91.05482	39.6
93.07041	63.6
95.04961	35.5
95.08603	56.9
97.02875	13.7
97.06530	74.6
97.10157	20.7
105.07028	52.7
107.08595	47.4
109.02873	8.2
109.06544	24.0
109.10159	68.4
111.08071	13.3
111.11747	8.7
113.05933	5.2
115.05393	6.9
116.98606	9.6
117.07027	10.2
119.08566	52.3
121.06476	15.8
121.10138	64.9
123.08078	8.4
123.11720	24.3
125.06087	6.3
125.09633	21.8
127.11152	8.4
129.07027	8.0
131.08563	17.7
133.06485	4.6
133.10141	46.7
134.99657	5.8
135.08026	14.7
135.11697	24.0
137.05952	5.5
137.09583	31.9
137.13254	6.9
139.07597	5.7
139.11176	38.2
141.06960	7.5
142.07736	5.1
143.08542	9.1
145.10112	31.4
147.08037	9.6
147.11673	20.5
149.09633	15.1
149.13278	7.9
151.11188	12.2
153.12738	10.9
155.08565	10.8
155.10657	6.5
157.10124	17.1
159.08006	7.9
159.11697	17.8
161.09616	31.3
161.13261	6.9
163.03929	7.3
163.11142	12.2
163.61848	4.6
165.01932	4.9
165.07028	6.5
165.09096	11.8
165.12663	6.0
167.08655	5.4
167.10645	6.8
169.06491	6.3
169.10101	8.3
171.07904	4.5
171.11661	13.3
173.09583	12.3
173.13260	14.0
175.11176	37.0
175.14870	12.5
177.12794	5.3
179.10683	9.5
181.06557	6.5
185.13231	9.7
187.14806	14.4
189.16313	5.8
195.08067	8.3
197.05943	11.1
197.13191	21.8
199.03911	16.8
201.99174	4.5
203.14415	8.1
209.09645	6.7
211.07564	15.9
212.08199	5.0
213.05441	9.9
213.09308	5.7
213.12834	11.6
213.16351	12.3
215.14284	22.5
217.04927	22.3
223.07556	9.1
223.14632	5.2
225.05473	16.1
231.17448	27.3
235.07489	5.0
239.07036	13.9
240.07817	11.7
241.08572	58.3
242.08890	5.8
245.15520	4.8
249.09183	10.5
251.07060	5.9
255.20964	5.0
262.06213	6.3
273.22110	9.2
277.08771	6.3
283.20575	22.1
285.10138	5.0
291.13956	5.6
293.11670	14.5
301.21634	45.2
305.08209	7.4
319.13235	11.9
319.22687	28.5
337.10641	11.6
337.14209	100.0
337.23843	8.2
338.14645	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	337.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.0
55.05499	4.9
56.05019	1.9
56.96572	2.1
65.03927	2.6
67.05497	6.4
69.03430	4.7
69.07056	7.4
69.52312	8.7
69.52718	3.3
70.06577	7.9
70.07388	1.4
71.04989	2.3
72.08150	4.2
79.05489	5.8
81.07048	14.6
83.04984	1.8
83.08616	3.9
84.04502	2.1
84.08133	6.3
85.02913	2.2
85.06521	2.6
86.09682	7.3
87.10049	1.7
91.05475	10.2
92.05003	3.5
93.07035	9.5
94.06595	2.4
95.04966	3.3
95.08602	6.2
97.02886	3.2
97.06531	1.9
98.06050	4.0
98.09643	1.6
98.21532	2.7
102.05561	1.9
105.07007	7.2
107.08598	5.8
108.08113	3.2
109.06495	9.8
109.10161	3.2
111.08076	4.1
117.07027	1.5
119.04881	2.3
119.08572	13.6
120.04464	5.0
120.08089	3.9
121.06524	2.4
121.10154	5.0
123.08059	3.7
123.11658	1.9
124.07558	3.3
125.09618	2.0
126.09142	78.0
127.03835	1.6
129.10248	2.4
131.08560	2.8
133.10120	4.4
136.03931	2.1
136.07607	2.7
137.06009	3.7
137.07932	2.6
137.09622	3.4
138.05469	16.0
138.09135	2.7
139.07579	1.5
141.09013	1.7
145.10124	4.6
145.54398	1.7
147.11694	6.6
148.03915	9.8
149.09628	2.2
150.05508	13.6
151.05833	2.0
157.10072	2.1
159.11745	2.0
161.09653	2.2
163.03842	1.8
163.11194	2.4
166.04988	100.0
167.05371	1.7
175.11241	2.9
176.03482	2.3
179.95390	1.6
189.12808	1.8
193.12296	1.6
194.04474	58.4
212.05531	20.9
214.14476	3.3
226.10938	2.9
227.11850	3.3
228.10237	1.9
243.03932	1.5
243.07532	2.0
255.11359	2.3
261.29419	1.7
263.07153	1.5
270.10092	3.1
271.10727	2.8
272.11548	9.8
273.12271	9.0
283.10764	2.9
290.05612	2.1
301.11810	47.8
305.08182	1.7
319.12747	8.1
319.22473	3.0
337.06982	3.5
337.10599	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	336.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01865	0.7
55.05510	2.0
56.96553	0.9
65.03942	1.7
67.05504	20.9
68.05840	0.4
69.03428	1.1
69.07061	1.0
70.06602	1.7
70.14433	1.2
72.08154	0.5
79.05495	1.5
81.03407	0.7
81.07066	1.7
83.04980	6.3
83.08655	0.5
84.04535	0.3
84.08142	1.1
85.02881	0.6
85.06557	0.4
91.05476	1.7
91.29359	0.3
93.03402	3.1
93.07025	1.9
94.06567	19.5
95.04961	2.5
95.08612	1.3
97.02886	0.9
97.06521	1.9
97.10145	0.3
98.97608	0.5
100.11253	0.5
105.03352	0.6
105.07024	1.0
107.08566	1.0
108.08132	0.4
109.02898	0.7
109.06524	0.7
109.10178	0.8
111.04440	4.2
116.98602	0.5
117.07010	0.3
119.04967	0.4
119.08601	2.1
120.08109	0.5
121.10156	0.7
122.06029	100.0
123.04408	0.8
123.06354	1.3
125.06003	1.3
127.03953	0.6
127.07527	0.6
131.08559	1.0
133.10132	0.8
134.99643	0.5
135.04381	0.4
135.71733	0.4
136.07568	5.8
137.05946	2.5
137.09631	0.4
138.09099	0.8
139.03900	18.6
143.08575	0.4
145.06514	0.4
145.10086	0.8
147.11717	0.9
149.09627	0.6
151.07472	0.4
153.05484	2.5
157.10110	0.5
163.03911	0.6
164.07085	0.5
165.05441	1.1
167.03406	3.3
173.09703	0.4
175.09909	0.5
185.04466	11.2
188.10698	1.9
188.67720	0.3
189.12738	0.3
190.08681	0.5
197.08049	2.5
199.06003	10.4
199.07759	0.6
202.12300	0.6
213.09081	0.4
215.10994	0.4
216.10208	1.4
230.11792	1.7
240.10165	0.5
241.08591	1.2
244.09760	1.4
258.11264	4.1
276.12366	0.7
286.10709	3.3
303.10809	0.4
304.11783	7.8
318.13385	1.0
336.14954	2.3
336.17941	0.5
336.22031	0.5
336.25641	0.7
337.10733	0.6
337.14432	1.3
355.08023	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	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63570	4.6
80.40687	1.7
102.85139	1.6
110.32919	1.7
121.03458	1.7
131.01877	2.9
133.03439	6.9
145.03459	4.2
157.03442	2.0
173.03001	2.8
175.04483	3.6
187.04495	2.7
199.04573	2.4
201.06062	1.9
204.53592	1.9
211.04541	2.2
217.01878	3.9
235.02872	2.8
239.06136	1.9
295.08722	6.0
337.08899	100.0
338.09174	3.1
340.50275	1.8
351.94635	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	60.8
57.03421	1.0
61.02913	1.5
69.03405	1.5
70.06581	3.6
70.49807	2.9
70.98107	9.4
71.95245	1.3
72.08125	1.1
74.97577	2.2
81.03412	0.9
84.08107	3.2
84.96028	9.2
85.02882	1.9
88.99153	8.0
97.02876	1.7
98.97573	70.9
100.99061	0.8
102.97092	1.3
107.00164	1.9
107.69897	0.7
110.07206	0.9
110.97551	19.3
112.00670	1.3
112.99115	11.1
115.00701	1.1
116.98611	46.1
119.26991	0.7
124.95445	3.4
126.97018	1.2
128.98590	34.2
128.99559	1.8
129.10213	1.2
130.01764	0.8
131.00160	18.7
133.01724	6.6
133.03352	0.9
134.99644	17.9
136.06152	0.8
140.98575	3.4
142.96492	5.9
142.99181	0.7
143.00110	4.5
144.98048	2.4
145.01683	1.5
146.99638	28.8
149.01210	17.6
151.02750	3.5
152.98567	5.1
153.00706	1.1
156.98065	1.2
157.01604	1.0
157.65034	0.8
158.01170	1.0
158.99634	14.9
160.97539	3.4
161.01201	6.6
161.02498	1.1
162.99106	3.1
163.02739	1.8
165.00699	16.1
167.02229	4.9
170.96016	2.6
170.99649	6.7
173.01186	2.5
173.98454	0.8
174.99113	3.1
175.02737	5.0
177.00713	17.7
179.02252	2.1
183.01701	1.5
184.39595	0.7
184.97548	2.5
186.99081	2.4
187.02811	1.2
188.97078	14.9
189.00694	14.2
190.98564	1.7
191.02322	5.5
193.00169	4.6
193.03809	4.6
195.01715	1.9
201.00595	3.7
202.98625	7.0
203.02223	3.6
205.00174	3.7
205.03819	1.4
206.98134	9.9
207.01718	9.5
211.04739	1.5
212.97026	2.4
217.00180	3.5
217.03705	4.1
219.01741	25.0
220.99702	5.5
223.01176	4.6
224.02548	2.4
224.99194	1.4
229.03792	1.4
230.95988	1.5
230.98103	15.7
232.99683	1.8
233.03137	1.3
235.01135	5.0
235.04855	3.2
237.02797	56.0
239.00523	0.9
244.99654	8.8
247.01140	0.8
248.99159	7.8
249.02907	0.9
255.03864	4.6
263.00711	33.7
267.03769	1.4
275.04309	1.8
277.02307	7.6
277.05905	23.2
281.01712	6.4
281.04926	1.6
286.02209	1.1
293.05392	1.1
295.06967	100.0
296.07260	2.1
305.01752	1.7
313.04489	0.8
313.08035	0.9
318.08652	1.9
337.08188	43.4
337.23181	1.0
338.08881	1.2
355.09125	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.20401	0.9
53.03946	4.1
53.78210	0.9
55.01859	1.7
55.05510	24.1
56.96547	3.0
57.03434	29.0
57.07059	3.1
61.93393	0.8
65.03936	4.5
65.05991	0.8
67.05499	100.0
69.07063	23.6
69.56630	7.2
69.56924	0.7
71.04978	1.4
71.08595	1.0
71.95270	1.0
79.05486	54.0
81.03408	1.1
81.07050	93.4
83.04985	0.9
83.08597	9.1
85.06517	2.1
87.29433	0.9
91.05475	25.1
93.07035	58.0
93.89748	1.0
95.04974	6.2
95.08599	71.2
97.06512	3.8
97.10134	3.6
99.08069	1.9
105.07022	17.8
107.08581	29.0
109.06487	1.9
109.10144	33.6
111.08078	2.2
115.97882	0.9
117.06970	5.2
117.62696	0.9
119.08566	15.6
121.09308	1.6
121.10139	25.7
123.07998	1.2
123.11689	10.5
125.09608	1.8
129.05412	1.5
131.08548	9.7
133.10118	10.5
135.11694	15.4
137.09636	1.5
137.13200	2.4
145.10098	6.7
147.11696	6.8
149.09535	1.0
149.13237	8.9
151.14854	1.0
156.94041	1.0
159.11676	6.0
161.13281	5.3
163.14772	4.0
173.13216	7.1
175.14804	1.5
177.16330	2.3
187.14815	3.7
189.16365	1.0
201.16347	1.1
213.45883	0.8
243.21106	7.0
261.22086	8.3
279.23090	1.8
317.17850	4.0
317.24719	3.3
335.19553	12.6
335.25760	90.6
336.08063	1.0
336.26172	2.3
353.19934	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02369	0.7
53.00284	0.4
53.03939	3.3
54.49368	0.4
55.01867	1.3
55.05507	26.6
57.03433	27.9
57.07073	2.6
57.07307	0.5
63.38020	0.4
65.03941	4.4
66.10068	0.4
67.05499	100.0
69.03452	1.1
69.07064	23.7
69.41418	4.4
71.04996	3.3
73.06564	0.5
77.03903	0.7
79.05486	54.8
80.05806	0.9
81.03412	0.7
81.07050	82.4
83.04976	2.8
83.08613	10.0
85.06539	2.3
91.05475	25.6
93.07037	53.8
94.07354	0.7
95.04951	6.3
95.08598	65.3
96.08916	0.6
97.06522	3.4
97.10162	3.1
98.20771	1.0
98.59373	0.4
99.08077	1.2
105.04546	0.6
105.07021	15.4
107.08588	23.5
109.06502	2.1
109.10147	23.4
109.10901	1.2
111.08101	1.5
111.45931	0.4
117.07004	4.4
119.08566	9.7
121.06503	0.5
121.10136	18.7
123.08081	1.3
123.11698	6.9
125.09632	0.8
129.06960	0.5
131.08554	7.9
133.10132	7.1
135.08072	0.5
135.11687	9.8
137.09618	0.8
137.13257	1.7
139.08188	0.4
139.11174	0.5
145.10118	5.1
147.11667	4.9
149.09602	0.5
149.13229	4.8
159.11673	3.3
161.13231	3.7
163.14807	1.9
173.13260	3.7
175.14818	1.4
187.14818	1.3
201.16284	0.7
237.50246	0.4
243.20932	1.2
250.54063	0.5
261.22165	2.8
297.79163	0.5
335.25766	80.7
336.26010	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	3.1
55.01867	3.8
55.05507	17.8
56.22606	1.4
56.96569	1.5
57.03436	25.2
57.07066	4.9
65.03952	3.0
66.95518	1.4
67.05500	92.2
68.05835	2.0
69.03430	1.3
69.07066	18.7
70.06129	4.2
70.06551	3.6
71.04990	2.5
71.08633	1.4
75.47172	1.4
79.05488	58.2
81.03422	2.5
81.07053	100.0
83.04977	3.3
83.08637	8.7
85.06547	2.5
85.88333	1.3
86.16612	1.4
91.05477	29.2
93.07038	66.4
95.04969	6.9
95.08601	77.2
97.06535	3.0
97.10166	4.0
98.20775	1.7
99.08106	1.7
105.07025	21.8
107.04972	2.0
107.08588	40.7
109.10145	34.7
111.08091	2.9
117.07035	8.0
119.08575	16.6
121.10142	30.1
123.08087	3.8
123.11706	13.9
129.05533	4.2
131.08571	17.8
133.10100	16.7
135.08020	1.7
135.11684	20.0
137.09619	1.7
137.13252	4.6
143.08530	2.1
145.10126	12.1
147.11678	7.7
149.13254	9.1
155.07025	1.4
157.10165	2.2
159.11668	11.2
160.55002	1.4
161.13231	8.1
163.11185	2.2
163.14804	7.9
169.10228	1.9
171.11664	2.4
173.13248	6.2
175.14842	6.0
177.16409	2.6
187.14836	5.3
201.16383	1.7
217.19424	2.9
233.22800	2.4
243.21074	18.5
245.22719	1.8
246.14119	1.4
247.08467	1.7
249.21666	1.3
258.91849	1.3
259.12354	2.0
261.22083	14.6
275.19922	1.5
279.23303	2.8
299.32776	1.5
317.24780	10.8
328.83932	1.3
335.21909	56.4
335.25833	89.2
336.22324	2.5
336.26065	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.46195	1.0
52.46465	0.9
53.00295	1.4
53.03939	4.1
54.91419	1.1
55.01857	1.5
55.05510	27.5
57.03433	25.0
57.07064	1.8
60.50972	0.9
62.80893	0.8
65.03926	3.9
67.05502	100.0
69.07064	19.9
70.73791	1.1
70.74123	2.1
71.04989	2.6
79.05489	53.4
81.03424	1.2
81.07051	82.3
83.04980	2.3
83.08613	9.8
85.06534	1.4
87.05247	1.0
91.05476	24.8
93.07040	52.8
95.04959	6.6
95.08600	69.0
97.06525	3.8
97.10161	3.1
99.08068	1.6
105.07030	14.7
107.08590	29.1
109.06529	1.5
109.10146	26.4
111.08047	1.6
117.07009	5.0
119.08572	10.0
121.10136	21.2
123.08057	1.8
123.11685	6.7
125.09634	0.9
129.07030	1.1
131.08572	7.6
133.10104	8.9
135.11676	12.9
137.13251	2.2
145.10121	6.8
147.11681	6.3
149.13284	6.8
151.14844	0.9
159.11687	3.6
161.13245	3.7
163.14836	2.3
173.13264	4.0
175.14804	2.1
177.16287	0.9
178.51675	1.0
187.14827	2.0
239.00722	1.1
243.21086	1.7
261.22058	4.8
335.22269	3.6
335.25766	87.4
336.26083	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	335.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51845	0.8
52.94432	0.9
53.03927	4.4
53.69384	0.9
55.01866	1.9
55.05260	1.8
55.05508	22.9
57.03437	24.9
57.07055	3.2
65.03925	3.7
67.05499	99.1
69.06715	1.6
69.07060	21.0
71.04975	3.3
71.60851	1.7
79.05489	50.4
81.07051	88.9
82.07355	1.2
83.04969	1.7
83.08614	9.3
83.13953	1.0
85.06534	2.7
91.05476	26.8
93.07037	54.0
95.04958	5.5
95.08600	65.6
96.08907	1.3
97.06494	2.8
97.10172	4.6
99.08070	1.3
105.07027	18.6
107.08589	29.3
109.06468	2.8
109.10143	31.0
111.08061	2.0
117.06990	5.3
119.08572	14.1
121.10129	24.4
123.08041	2.8
123.11703	11.0
129.05496	1.7
129.07034	1.8
131.08543	10.2
132.61458	1.0
133.10130	14.4
135.11691	16.5
137.09625	1.2
137.13229	3.0
145.10104	9.4
147.11674	9.4
149.09569	1.7
149.13254	8.2
157.10135	2.0
159.11652	6.8
161.13228	5.3
163.11157	1.1
163.14835	2.9
173.13286	8.1
175.14787	3.8
177.16354	1.6
183.11621	1.0
187.14799	2.0
243.21034	5.4
251.35220	1.2
261.22089	9.1
279.23218	1.4
317.24765	3.6
335.25787	100.0
336.26147	3.6
346.25696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.4
55.01833	3.9
55.05507	26.7
56.96556	4.5
57.03429	27.7
57.07054	3.1
65.03913	2.8
67.05500	100.0
69.07067	21.7
71.04986	3.3
71.60372	4.5
73.36579	2.7
79.05486	56.8
81.07052	78.6
83.05011	4.4
83.08607	9.9
91.05471	29.5
93.07032	62.8
95.04955	8.0
95.08604	66.0
97.06507	4.2
97.10149	5.6
105.07011	16.8
107.08585	29.0
109.06489	4.5
109.10143	30.1
111.08053	2.9
114.41291	2.4
116.98640	3.0
119.08579	11.4
121.10142	21.4
123.11668	12.5
131.08568	10.0
133.10107	8.5
135.11678	10.1
136.72894	2.5
137.13228	2.7
145.10114	7.8
147.11705	6.9
149.13220	5.7
159.11688	6.8
161.09605	3.0
173.13252	4.4
177.05417	4.1
187.14755	2.5
190.64310	3.1
335.21854	86.8
335.25806	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01870	0.5
55.05507	1.8
56.91627	0.4
56.96540	0.5
57.03416	0.5
65.03927	4.2
66.12870	0.3
66.93343	0.4
67.05499	8.5
69.03419	1.7
69.07061	100.0
70.06590	0.9
70.07387	2.2
71.04987	1.2
71.59648	0.6
79.05476	2.9
80.05013	1.5
81.03404	2.1
81.05789	0.5
81.07049	9.5
82.06563	0.6
83.04969	0.5
84.14391	0.4
85.06561	0.6
86.09708	0.6
91.04232	0.6
91.05463	3.0
92.04987	4.4
93.05779	0.8
93.07035	4.1
93.75285	0.4
94.06564	4.3
95.04963	3.6
95.08598	5.1
96.04475	0.6
96.08119	0.8
97.02880	0.6
97.06520	17.0
97.10139	0.6
99.08060	0.6
104.04967	0.6
105.07023	3.0
107.03683	0.5
107.04916	0.5
107.08591	3.3
108.04500	0.9
108.08091	0.7
109.02872	4.3
109.05311	0.8
109.06509	2.6
109.10159	5.3
110.06039	0.6
112.07569	0.6
116.06194	0.4
117.07026	1.5
119.03678	1.4
119.08575	3.2
120.04487	0.7
120.08096	0.6
121.05228	0.9
121.06507	2.0
121.10128	1.6
122.06022	9.3
123.08065	1.6
123.11703	0.7
124.07589	2.6
125.05988	1.7
125.09653	0.9
126.05537	0.5
127.07490	0.5
128.06229	0.5
129.07024	1.3
130.06528	0.9
131.07318	1.1
131.08559	1.9
132.04491	0.6
132.08127	0.4
133.10118	2.1
134.06027	0.5
135.08063	1.4
135.11693	1.2
136.07558	1.0
137.06003	3.3
137.09607	13.8
137.13168	0.4
138.05490	5.8
140.07050	8.3
140.08073	0.6
141.07846	0.4
142.07716	0.9
142.08691	0.8
142.93846	0.5
143.07275	0.5
143.08530	1.1
144.08047	3.2
145.06517	0.6
145.08847	3.3
145.10118	3.3
146.09624	3.9
147.06831	0.8
147.07994	0.9
147.11693	1.5
148.03961	1.7
149.09625	2.2
150.05489	76.7
151.05862	3.5
152.03391	1.2
152.07011	1.1
154.08626	0.6
155.08560	0.5
156.08060	0.6
157.08858	3.2
157.10132	1.3
158.09596	1.3
159.08075	0.7
159.10402	1.2
159.11678	0.8
160.07542	1.6
160.11151	0.9
161.08350	4.0
161.09637	1.2
161.13284	0.5
162.09143	2.5
163.11162	1.4
164.03412	1.2
164.07008	0.7
165.04198	1.5
165.09134	1.1
166.04980	33.3
167.05348	1.0
167.07280	1.2
167.10695	0.5
168.06558	1.4
170.05890	0.7
170.09645	0.6
171.06744	0.7
171.08064	0.5
172.07556	2.0
172.11174	4.8
173.08345	2.9
173.09633	1.2
174.09161	1.8
174.12775	6.0
175.11200	0.9
175.13094	0.6
176.03392	8.9
177.09169	0.5
178.04973	2.5
179.10637	0.5
182.04471	1.0
183.06711	0.7
184.07588	0.7
184.11200	0.4
185.08327	1.3
185.13232	0.6
186.05470	0.9
186.07625	1.4
186.09102	0.8
187.06250	0.5
188.06960	0.6
188.10664	1.7
189.09094	0.5
190.08583	0.6
190.12225	4.7
192.02898	1.3
193.12286	0.5
194.04442	3.7
198.07809	1.1
198.09267	0.7
200.06943	1.0
200.08963	0.4
200.10718	7.3
201.11082	0.6
202.12250	7.6
203.14337	0.7
204.06525	0.4
204.10178	0.4
205.07336	0.4
206.11748	0.4
207.13794	1.3
210.03954	0.5
213.08099	0.5
213.10199	1.3
213.12759	1.2
215.11752	0.6
216.10170	3.2
218.08165	1.7
218.11740	27.8
219.12039	2.1
225.10223	0.6
226.08807	1.0
227.11819	1.0
228.10178	15.6
229.10628	0.9
229.13342	1.8
231.07944	0.5
231.11250	0.8
231.13635	0.8
234.11269	3.2
241.09758	0.7
243.11287	1.4
244.09691	1.8
245.10376	0.4
245.12790	1.9
246.11227	25.3
247.11563	2.0
247.16893	0.7
254.07997	0.8
255.11221	1.2
256.09677	0.7
257.09229	1.3
258.09760	0.6
261.08749	1.3
261.12326	1.2
271.10776	4.7
271.20416	0.7
272.09146	3.6
273.12253	4.2
274.10657	2.3
275.10416	0.6
281.18774	0.5
287.10187	7.8
289.08975	0.3
289.11798	9.4
289.21579	0.6
290.10080	1.4
291.13483	0.6
299.10257	4.8
299.19885	1.0
317.11288	25.2
317.21094	2.2
318.11993	2.2
335.12326	17.0
335.22089	1.1
336.12628	2.2
353.07867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90244	0.6
54.49778	0.6
55.01863	1.1
55.05506	1.2
56.05011	0.6
56.96558	2.1
64.24290	0.7
67.05520	4.2
69.03418	1.4
69.07062	2.6
70.06580	1.5
73.83855	0.6
79.05492	2.2
81.07050	3.9
83.04975	1.3
85.02920	0.6
85.06490	0.7
86.09705	32.6
90.34858	0.7
91.05489	1.7
92.17460	0.6
93.07049	3.5
95.04977	1.4
95.08624	5.2
97.02879	1.2
97.06540	3.2
103.05476	2.9
105.07027	2.5
107.08579	2.6
109.02866	0.7
109.06542	1.0
109.10147	2.0
110.39030	0.7
111.08014	0.6
119.08578	2.0
120.08104	100.0
121.06494	3.7
121.10143	2.3
123.08064	2.4
128.10718	11.9
131.04922	1.6
131.08575	0.9
134.99771	0.6
135.08084	0.9
135.11716	0.8
137.09549	0.8
139.05190	0.6
139.11194	0.9
145.10141	0.8
147.11719	1.2
151.07492	0.8
151.11176	0.8
156.10210	2.3
159.08075	0.8
159.11653	1.3
163.07530	3.1
165.12825	1.0
173.13196	0.7
175.07538	0.7
180.10193	45.3
181.10753	0.7
229.07422	0.7
317.21082	1.7
335.22366	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	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01865	1.4
55.05499	1.9
56.05010	0.9
57.03411	0.8
58.92369	0.8
60.54803	0.7
61.01139	0.8
62.80702	0.7
65.03927	1.1
67.05482	2.6
69.03427	1.4
69.07047	2.4
69.84993	4.6
70.06580	7.1
72.08150	4.0
74.00613	0.7
76.03989	1.2
79.05472	2.9
80.05005	0.8
81.03398	3.2
81.07034	3.4
82.06567	1.2
82.08559	0.7
83.04961	1.5
83.08606	0.9
84.04498	1.9
84.08123	3.2
85.02876	1.4
85.06523	0.9
86.09690	4.0
91.05457	3.6
91.30447	0.7
93.07034	2.7
94.06558	6.2
95.04964	2.6
95.08608	2.3
96.08135	0.7
97.02860	1.4
97.06506	2.6
98.98441	0.8
99.04427	0.8
99.24493	0.8
105.07002	2.6
107.08564	1.7
108.04469	3.5
109.02873	3.5
109.06528	1.5
109.10165	1.4
110.06040	1.3
110.07144	0.9
115.05518	0.9
117.06991	2.5
119.04964	1.5
119.08580	2.6
120.04406	1.5
120.08085	2.5
121.06511	1.2
121.10130	1.5
122.06025	12.6
123.08048	1.0
124.07600	2.1
127.03893	1.0
127.11213	0.8
129.10187	2.4
130.06532	0.9
131.08571	2.3
132.52147	0.9
133.10074	1.6
135.08023	1.2
136.07553	2.4
138.05470	1.4
143.08524	1.5
144.08073	1.0
145.10097	3.0
147.04457	1.2
147.60106	0.8
148.03899	2.5
149.09665	1.2
150.05457	3.0
152.07106	1.6
153.09132	1.0
158.09653	2.0
159.11690	1.0
163.11243	1.4
164.07161	1.0
166.04988	6.3
166.08568	1.0
168.06583	1.8
170.08228	1.2
173.09535	0.9
176.10985	1.6
176.47603	0.8
183.09137	2.8
185.07024	0.9
186.07797	2.4
186.09241	1.2
187.08647	1.8
188.07159	1.1
188.15225	0.8
197.10666	1.9
199.08559	1.1
200.09366	1.6
201.06668	1.6
201.10382	1.6
210.07562	0.9
211.08682	5.8
212.09428	6.7
213.06572	1.0
213.10286	1.0
214.07330	5.8
215.08221	8.4
215.11775	2.5
225.10207	4.5
226.10802	0.9
227.08154	4.8
227.11781	1.5
228.08875	2.9
229.05991	1.0
229.09746	6.9
234.99019	0.9
239.08119	5.0
240.08916	20.5
241.09497	1.1
243.07640	3.1
243.11288	18.1
245.09254	2.3
253.09709	12.4
254.10379	3.2
255.11311	1.5
257.09210	9.6
261.08737	1.0
271.10736	16.5
273.12390	2.2
275.04697	1.2
281.09192	2.2
287.10208	4.3
289.11746	3.1
291.13379	1.0
299.10239	100.0
300.10498	1.9
303.04364	1.3
317.11298	95.2
318.11523	2.3
333.37622	0.8
335.12265	3.0
335.15738	1.3
335.22559	1.5
345.51093	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77620	0.6
55.01871	9.2
55.05510	4.4
55.26852	0.6
56.96536	1.1
57.03417	0.8
57.07053	2.3
69.07053	1.8
70.06586	6.5
70.39616	2.3
71.06904	0.5
71.11311	0.7
72.08138	2.6
73.02901	1.6
77.26162	0.6
82.06548	0.9
82.42316	0.7
83.06094	2.3
83.08611	7.1
84.04501	2.5
84.08144	4.5
84.08940	1.1
85.02898	2.2
85.04865	0.6
85.06535	0.7
86.09699	5.0
91.05479	3.8
97.02898	0.8
97.06521	1.0
101.09631	1.1
108.04479	0.9
110.07144	1.5
118.06561	1.0
119.04922	3.3
120.08123	1.6
122.06010	1.6
126.09078	0.8
129.06602	2.5
129.10220	1.0
130.05014	0.7
132.08073	0.9
135.08110	1.0
136.07550	1.2
138.05505	0.9
140.07028	0.7
143.00150	1.8
144.08080	1.5
146.05995	2.4
147.04404	11.9
147.06332	2.0
148.04756	1.2
149.88063	0.6
150.05540	1.3
153.06825	0.7
156.07779	1.0
157.07652	0.7
160.09859	0.7
161.01210	2.4
166.05029	0.8
168.06627	1.5
172.07535	0.8
173.07066	0.9
173.10791	1.1
173.14677	0.7
178.08615	3.7
182.08165	1.0
184.07596	1.2
186.07806	1.4
188.07068	5.2
189.07407	4.9
198.09178	1.0
199.08713	1.5
200.10791	1.3
201.06572	1.2
201.10291	4.5
203.11780	1.5
205.09694	1.1
206.09991	1.0
207.08578	1.0
211.08562	0.9
212.07062	2.0
213.10254	1.8
214.07205	1.0
215.08151	2.9
215.11549	0.8
216.08969	2.2
217.09718	2.8
225.10196	2.3
226.08649	1.6
226.10649	1.0
227.08113	2.9
228.10399	4.3
229.09712	8.5
230.10257	0.8
234.98991	2.0
243.07651	2.2
243.11212	4.9
244.08524	2.1
245.09102	4.3
247.10783	1.5
252.99997	0.8
253.09676	1.6
254.08109	2.4
256.08130	0.7
257.09186	14.9
258.09967	1.7
261.00665	1.2
261.12378	1.2
265.11661	1.0
271.10757	11.4
272.09235	1.1
284.07867	0.7
287.10236	1.1
288.10965	1.1
289.11786	8.3
299.10281	13.0
302.08960	1.1
307.12933	3.3
317.11298	100.0
318.11584	3.3
335.07861	1.0
335.11810	12.8
336.12604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34443	0.8
51.20158	0.7
52.03462	0.8
53.03945	1.3
54.69133	0.7
55.05495	1.1
58.80109	0.7
59.04991	0.7
59.52932	0.8
65.03933	3.4
67.05502	6.7
69.03428	1.1
69.07063	100.0
70.85990	1.5
70.86383	1.5
76.41682	0.7
79.05492	1.9
80.05003	1.1
81.07049	6.8
84.08115	0.8
91.04215	1.0
92.05003	3.9
93.07031	2.5
94.06560	4.9
95.04964	2.1
95.08618	2.0
97.06522	15.9
100.46574	0.7
105.07034	1.9
107.08612	1.2
108.04476	0.8
109.02895	2.1
109.06527	1.2
109.10149	1.3
112.07583	0.8
117.06954	1.1
119.03651	1.2
119.08598	1.8
120.04501	1.1
121.05251	0.8
121.10172	0.7
122.06038	9.4
124.07584	2.0
125.06017	1.5
130.06557	0.8
131.07323	1.0
132.04453	1.0
133.10078	1.1
135.11646	0.9
135.18878	0.8
137.05966	3.8
137.09633	3.4
138.05502	5.6
140.07036	6.4
141.07877	1.3
144.08095	2.9
145.08902	2.1
145.10022	1.5
146.09633	3.6
147.07895	0.7
147.11790	0.8
148.03940	1.4
150.05490	78.2
151.05923	0.9
152.03465	0.8
157.08884	2.7
158.09634	1.1
159.10434	0.9
160.07584	1.5
160.11287	1.0
161.08347	4.8
162.09207	2.1
165.04274	1.0
166.04988	30.5
168.06654	1.3
169.08820	0.8
172.07578	2.4
172.11206	5.1
173.08374	2.5
173.09671	1.3
174.09215	1.0
174.12769	6.7
176.03418	7.6
178.05058	2.4
181.92575	0.7
182.04388	1.3
182.09729	0.8
185.08452	2.4
186.05492	0.7
186.07617	1.9
186.09163	0.8
188.10680	1.6
190.08716	1.0
190.12238	4.8
192.02829	0.8
194.04553	3.1
198.07883	1.3
200.07135	1.1
200.10709	6.5
202.12236	6.6
207.13763	1.0
210.04170	1.1
213.10223	1.6
216.10146	4.6
218.08359	1.9
218.11746	31.6
219.12103	0.9
225.04407	0.7
228.10164	14.5
229.13438	1.1
230.11790	0.9
234.11314	3.0
243.11310	1.2
244.09761	2.9
245.12917	2.1
246.11246	28.1
255.11433	1.1
256.09637	1.7
257.09293	1.1
261.08716	1.0
261.12518	0.9
262.10727	0.9
271.07449	0.8
271.10788	4.9
272.09143	4.2
273.12402	3.5
274.10629	3.5
281.22577	0.8
287.10269	7.1
289.11880	10.7
289.14841	1.1
290.10330	1.8
299.10266	5.9
300.08789	0.9
315.50278	0.9
317.11304	24.5
335.12341	16.2
335.15912	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	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01866	1.5
55.05503	2.0
56.96546	1.2
57.03438	1.2
60.04520	2.2
61.02880	1.1
65.03949	5.5
67.05501	8.6
69.03434	2.3
69.07063	100.0
70.06586	4.5
71.04993	1.7
71.18656	1.8
71.18985	1.7
72.08152	1.7
73.02918	1.5
78.82525	1.1
79.05492	5.6
80.05023	1.6
81.03424	2.9
81.07047	7.8
82.06583	1.9
83.04989	1.8
84.04497	3.6
84.08160	2.7
84.63192	1.0
85.02880	2.0
85.06525	1.2
86.09690	5.3
87.09990	1.6
87.44989	1.0
91.05473	7.0
92.04997	6.2
93.03435	1.2
93.07034	5.4
94.06551	6.4
95.04965	6.2
95.08621	4.4
96.08134	2.5
97.02895	2.1
97.06524	16.8
98.98483	1.0
99.67773	1.0
104.04998	1.0
105.07021	5.3
107.04944	1.8
107.08590	2.9
108.04475	1.6
109.02879	3.7
109.06529	2.5
109.10127	1.4
111.04469	1.2
111.08074	1.1
115.05495	1.5
117.06989	2.5
119.08575	2.8
120.04457	1.6
120.08107	3.0
121.06517	2.2
121.10183	1.5
122.06024	9.4
123.08053	2.1
124.07606	3.4
125.06017	1.7
130.06519	2.2
131.08556	1.9
132.04472	1.5
132.95769	2.2
133.04791	1.2
133.10141	2.9
134.06006	1.2
135.07993	1.7
135.11673	1.1
136.07570	3.6
137.06010	2.7
137.09607	1.6
138.05495	5.0
140.07047	9.7
143.08563	2.0
144.08116	1.3
145.08896	2.9
145.10146	4.4
146.09654	3.2
147.06737	1.2
148.03886	1.7
150.05496	99.3
151.05850	1.3
152.03378	1.3
155.08635	1.4
157.08905	2.1
158.05969	2.4
160.07625	1.3
161.08353	4.0
161.09598	1.5
162.09212	2.3
166.04982	29.2
168.06520	2.6
172.07620	1.1
172.11223	3.8
173.06441	1.1
174.12773	3.6
175.08675	2.9
175.11145	2.2
176.03397	8.4
176.09047	3.0
178.05011	2.5
186.07596	1.8
188.10735	1.5
190.12285	4.3
194.04446	6.3
198.07727	1.6
200.10707	4.4
202.12292	3.6
213.10167	1.6
216.10321	2.1
218.11749	18.7
221.09288	2.8
222.09499	3.6
226.07158	1.2
228.10190	9.8
234.11287	3.5
241.09785	1.8
243.11342	3.3
244.09837	1.9
246.11235	13.2
254.08926	4.6
257.09238	1.8
261.12509	1.1
271.07919	1.3
271.10794	6.9
272.09274	2.2
273.12421	3.0
274.10733	1.7
287.10254	25.8
289.11893	6.1
299.10358	5.1
299.19888	1.3
317.11298	24.5
317.21069	2.4
335.05762	1.5
335.12070	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	335.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.9
56.05032	2.1
56.96564	9.2
58.06575	1.2
58.99843	1.0
59.46026	0.9
60.04510	1.3
61.01133	1.1
68.08806	0.8
69.03420	3.1
70.06592	6.7
70.68408	2.3
70.98125	1.1
72.08132	3.6
72.39393	0.9
80.05006	1.0
81.03396	1.9
82.99814	1.4
83.06087	1.3
84.04498	2.4
84.08132	5.7
85.02872	3.0
86.09687	2.3
87.05553	1.4
88.03915	1.1
88.99147	1.4
90.94852	1.0
96.04475	1.0
97.02900	4.5
98.97562	3.6
98.98428	1.1
101.00871	8.5
102.05519	1.3
103.02429	1.9
103.05472	1.2
104.05312	1.0
106.63963	1.1
109.02886	1.1
110.07094	1.2
112.48444	0.9
113.00850	1.7
115.02397	2.7
116.98602	2.5
119.01913	44.5
119.04947	1.1
120.02012	1.0
120.08085	5.8
123.05547	10.8
127.03898	2.1
128.98582	1.0
129.04004	1.4
129.10254	1.8
130.05009	1.2
130.06517	4.0
130.08591	1.1
131.00177	2.3
131.01891	17.1
131.05527	6.2
131.27910	1.0
132.95889	1.4
133.03465	6.0
134.99646	2.0
137.02925	7.9
143.01888	58.0
144.01936	1.5
145.03450	5.9
146.05981	2.0
146.99626	2.1
147.05002	3.3
149.01218	3.1
149.02948	4.3
149.06593	9.5
155.01884	16.5
155.05544	1.8
156.02664	1.2
157.03426	3.0
158.06007	1.6
158.99657	1.6
159.04979	2.6
161.02948	100.0
162.03099	2.3
162.99141	1.7
163.04459	1.5
165.00676	4.6
167.02292	1.1
167.05548	1.1
169.07162	1.0
171.04974	2.3
173.02951	23.1
173.06578	23.0
175.02841	0.9
175.04520	1.8
177.00600	1.1
177.06105	4.2
179.03937	1.2
181.00153	2.0
184.04546	5.2
185.02989	2.2
185.06596	23.8
185.08257	0.9
187.02774	1.2
187.08128	4.2
190.98637	2.9
191.02209	1.6
191.04024	1.3
191.06038	1.8
191.07605	9.0
196.04602	1.2
196.07690	1.0
197.06561	1.3
197.37346	1.0
199.08234	1.5
201.05974	1.5
203.04007	5.8
203.07660	13.2
205.00140	2.2
208.07884	1.1
208.99686	2.0
215.07626	12.3
217.03656	1.4
221.05028	20.3
223.01210	5.4
227.07623	3.1
232.99673	1.8
233.08685	4.0
234.98999	2.1
235.04628	1.0
239.06062	1.2
245.05177	1.7
245.11472	1.2
251.00752	1.5
253.11682	1.1
257.08704	4.9
270.07550	1.6
275.09738	32.4
276.10083	1.8
293.10794	73.0
294.10886	2.9
314.74957	1.0
316.12357	2.8
335.11896	39.5
335.16910	1.7
340.08533	1.1
349.82001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79348	1.1
55.01829	1.3
55.05507	5.9
55.32887	1.0
56.05022	3.4
56.96572	1.7
57.07058	3.5
60.04523	100.0
67.05501	13.7
68.05015	1.8
69.03439	1.9
69.07061	9.8
70.06582	2.8
71.31689	1.1
71.60288	1.5
72.04507	3.2
74.06075	2.5
79.05498	6.1
80.05016	1.2
80.18439	1.1
81.07042	13.3
82.06571	1.1
83.08605	7.1
85.02872	1.5
87.04419	1.2
90.05518	1.5
91.05461	4.8
93.07021	4.2
95.04959	2.2
95.08044	1.5
95.08604	17.9
97.06492	2.2
97.10162	3.6
98.98435	1.5
105.07026	3.7
107.08574	4.1
109.06487	1.6
109.10142	6.6
111.11710	1.3
116.07072	1.8
119.08540	2.2
121.10147	2.8
123.11660	2.6
128.62398	1.2
131.08600	1.4
133.10127	2.0
137.13231	1.4
154.86914	1.2
159.11728	1.2
185.66992	1.2
210.74556	1.2
239.23511	1.6
262.25177	2.2
280.26321	9.8
298.27341	16.6
299.27777	1.7
311.09412	3.6
316.28470	41.7
317.28833	1.6
334.29486	31.8
335.29926	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.9
57.03422	1.3
67.05489	2.1
69.07054	1.0
69.72069	3.8
71.20667	0.6
79.05492	3.0
81.07044	2.9
86.13886	0.6
90.73573	0.6
91.05476	3.7
93.07036	2.6
95.04929	0.7
95.08579	1.7
98.98420	0.8
105.07028	4.0
105.52607	0.7
107.08566	2.2
117.07051	0.8
119.08565	2.7
121.10139	1.3
126.05898	0.7
129.06949	0.9
130.58481	0.6
131.08577	1.0
133.10121	2.0
135.11714	1.3
145.10187	1.0
147.11681	0.9
150.18582	0.6
157.10118	1.0
161.13220	1.1
171.11610	0.8
173.13147	1.1
199.14929	0.7
200.91521	0.7
241.19507	1.0
243.14482	1.0
246.48924	0.6
259.20468	0.8
276.46796	0.7
333.20352	100.0
333.23904	4.5
334.20688	2.5
351.20328	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19126	0.7
67.05502	1.0
69.07009	0.6
70.08113	1.2
70.08510	1.7
81.07034	0.6
91.05456	0.9
93.07068	1.4
98.98484	0.9
105.07043	1.1
107.08590	1.0
133.10124	1.1
137.05968	1.4
182.76378	0.6
221.11620	0.7
235.12894	0.9
251.12579	0.8
333.20340	100.0
334.20535	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
56.96544	1.7
57.03442	1.0
59.29939	0.8
67.05495	1.3
69.07056	1.4
69.41982	6.4
69.42389	1.2
70.06593	1.3
71.04986	0.9
76.85773	0.8
77.00903	2.4
79.05482	2.1
81.07047	3.1
83.08617	1.0
88.07652	0.9
91.05469	1.8
93.07036	2.3
95.01922	1.3
95.04955	1.0
95.08601	2.1
98.21567	1.2
98.98476	11.6
105.07020	3.6
107.08564	2.0
109.06517	1.0
116.98665	1.3
117.06988	1.4
119.08568	2.6
131.08603	1.3
131.71082	1.0
133.10144	1.4
134.99615	1.5
135.11673	0.8
147.11658	1.2
149.02380	1.6
163.97391	1.0
173.13316	1.0
176.98969	1.4
177.38680	0.8
193.05019	3.7
201.09811	1.0
206.92719	1.4
215.11244	1.5
224.93808	1.2
241.12846	0.9
253.19742	0.9
261.14697	1.1
294.13647	0.9
302.24112	4.0
304.89502	1.8
311.08121	1.4
315.18689	1.1
333.16989	3.7
333.20355	100.0
333.25049	3.2
333.76184	1.4
334.20444	3.3
351.20114	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	333.147
Annotation	Chlovalicin
Peak:m/z	Relative Intensity
53.03950	1.3
55.05507	69.8
56.05039	1.5
56.05830	0.3
56.96568	0.7
57.03447	0.4
57.98787	0.3
58.99580	6.8
61.01152	0.7
61.58250	0.3
67.05485	0.5
69.03421	0.4
69.07068	0.6
69.84651	1.7
70.06588	2.3
72.08163	1.8
73.08470	0.3
74.06040	0.3
79.05497	0.4
80.05006	0.4
81.03401	0.8
81.07034	0.8
82.06575	0.5
83.05029	0.3
83.06100	30.5
83.08611	100.0
84.04494	3.0
84.08157	1.2
84.08936	0.5
85.02897	0.8
86.09702	1.6
86.99047	8.3
88.07544	0.3
91.05479	0.6
93.06987	0.3
95.04963	0.4
96.04494	0.5
97.06522	0.4
98.00641	0.6
98.06066	0.4
98.20809	0.3
98.97636	0.3
98.98435	0.6
99.04442	0.3
101.09645	16.5
105.00080	9.2
105.07013	0.4
107.06089	0.5
109.02846	0.3
109.06522	0.4
109.07641	2.1
110.07148	0.7
110.09727	0.3
116.07072	0.4
116.98633	0.6
118.06609	0.2
119.04906	0.3
119.08589	0.4
120.08086	1.0
121.17023	0.3
123.01161	0.4
124.02168	1.0
127.61179	0.3
129.06589	48.9
129.10263	1.0
130.05023	0.8
130.08603	0.3
131.08646	0.3
132.95845	0.3
136.07532	0.4
136.12286	0.3
141.04745	1.9
146.05975	1.0
147.04398	1.4
147.05443	0.3
153.06569	2.0
154.08615	0.4
155.08179	0.9
159.08348	3.6
161.01215	0.4
170.02699	1.5
173.12927	0.6
174.13057	0.4
181.06033	0.3
187.05391	3.6
187.07846	2.8
188.07040	2.1
192.75780	0.3
195.07848	0.3
196.08430	0.6
199.07182	1.2
204.10518	0.7
205.08908	18.7
215.04868	0.4
223.07533	0.4
224.07855	1.7
225.10298	0.3
228.07149	0.4
233.05928	2.0
234.99054	0.6
239.02066	0.4
241.10463	0.5
252.07387	0.8
269.09964	1.0
270.08539	0.4
287.10913	1.2
287.14142	0.6
288.67926	0.3
289.18390	0.7
315.09885	1.0
315.13440	0.5
316.09109	0.4
333.14755	92.0
334.15161	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.2
55.71104	0.7
56.96558	0.7
57.03411	1.6
57.07054	0.8
67.05498	3.7
69.07053	1.8
79.05498	2.6
81.03395	1.0
81.07064	4.9
85.83770	0.8
91.05479	3.9
93.07036	3.2
95.04952	1.1
95.08588	2.6
97.06540	1.3
98.98450	2.5
99.26178	0.7
105.07031	4.3
107.08571	1.7
109.10135	1.3
117.07052	0.8
119.08552	2.3
121.10117	1.9
131.08553	1.9
133.10112	2.6
135.11664	1.9
143.08571	0.8
145.10088	1.5
147.11664	0.8
149.02231	1.0
159.11676	1.9
162.96915	0.9
171.11729	1.0
173.13243	1.4
193.05063	1.1
235.13033	1.5
250.17406	0.8
251.12454	1.4
301.20020	1.0
333.20322	100.0
334.20383	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	333.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63066	1.7
53.03939	11.7
54.73774	1.8
55.01666	1.7
55.01866	20.4
55.05501	18.9
56.96555	3.9
57.03431	16.0
57.07052	1.8
59.04975	3.2
61.02905	5.7
62.19550	1.8
65.03930	4.0
67.05499	20.7
69.03425	71.8
69.07052	7.4
70.06574	3.1
71.01355	12.1
71.04985	24.6
71.60870	2.5
72.08123	2.7
73.02908	7.0
75.04468	2.7
79.05486	12.1
81.03410	75.0
81.07053	14.4
83.01324	2.4
83.04477	3.3
83.04976	68.1
83.08592	3.4
84.04482	3.1
84.08125	3.3
85.02896	100.0
85.06517	4.9
86.09718	2.7
87.04464	8.8
90.39798	1.8
91.05463	12.4
93.07026	8.6
95.01324	2.4
95.04961	35.3
95.08588	8.1
97.02879	28.7
97.06531	12.3
98.98478	3.9
99.04449	22.1
103.03883	2.2
105.07034	11.0
107.04971	8.5
107.08578	8.0
109.02867	38.9
109.06511	9.4
109.10151	6.0
111.04431	36.5
113.02383	2.8
113.05978	20.7
115.03899	12.0
116.98601	2.7
117.06971	3.4
119.04915	4.6
119.08580	6.3
121.02847	2.8
121.06482	3.5
121.10130	6.9
123.04427	10.7
123.08042	3.7
123.11716	2.0
125.02388	3.7
125.05979	6.3
125.09621	2.3
127.03903	49.0
129.05473	12.3
129.06993	2.1
131.07053	2.0
131.08531	3.6
133.10104	4.4
135.04396	5.7
135.08032	5.8
135.11635	2.5
137.02245	2.5
137.05962	18.4
137.09587	5.0
139.03923	3.5
141.05452	6.1
143.03415	2.1
143.06999	1.8
145.04953	16.5
145.06444	2.7
145.10098	3.6
147.04422	2.6
147.11732	2.1
149.06000	2.3
149.09578	5.3
151.03908	10.7
151.07530	2.5
152.07156	2.3
153.05428	4.3
157.04939	8.7
159.06523	6.2
159.11664	2.6
161.09587	2.5
163.07596	6.1
163.11043	2.0
165.05460	6.1
165.09013	2.5
167.07027	4.4
169.04926	4.2
171.06473	11.1
173.05879	1.8
173.13281	2.7
175.03889	2.8
181.04874	2.3
181.08563	2.8
181.66743	2.0
187.06003	64.4
191.06996	4.5
200.10414	2.1
209.07993	2.3
212.09352	2.9
217.06897	2.3
227.11719	5.7
229.07045	2.7
237.07581	8.5
241.09657	2.9
255.08969	9.2
255.11235	8.6
259.08060	2.1
271.08105	3.5
272.11575	2.4
273.12283	1.9
287.13708	6.4
297.09827	3.1
301.11795	4.0
315.10419	4.2
315.13522	4.3
315.19504	4.0
318.03696	2.3
333.05737	2.6
333.11401	14.4
333.15131	2.0
333.20636	4.6
347.52484	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	333.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08120	2.0
55.05505	3.3
56.05027	2.1
56.96286	3.5
56.96559	37.5
61.78739	1.8
62.28764	2.0
70.06580	11.6
71.58625	2.2
72.08148	7.9
72.93777	3.3
81.07043	4.2
83.04960	2.1
84.04527	4.2
84.08150	14.6
84.96031	2.5
85.02901	3.4
86.09698	7.9
87.32751	2.1
89.92129	2.0
90.94813	4.2
97.06510	1.9
98.97573	99.2
98.98453	5.0
111.04465	2.4
113.77590	1.9
116.98609	83.9
116.99439	4.3
128.98579	3.9
129.10272	2.8
132.10190	2.8
134.99643	53.6
140.00124	2.2
144.95839	2.7
146.99657	5.2
147.04250	2.7
153.00717	6.2
158.99638	22.5
159.00861	3.2
170.99658	4.1
171.03299	5.8
173.09283	2.1
177.00690	42.4
189.02292	4.1
189.04311	75.3
195.01833	4.4
207.05386	71.2
212.06021	3.0
213.04373	8.7
219.01691	3.4
231.03218	3.5
231.05380	89.1
234.99066	7.6
236.99254	2.1
237.02739	3.7
249.06422	29.1
254.07051	4.1
261.08890	2.2
262.89371	3.2
273.06479	7.0
309.08493	2.8
319.02100	2.4
333.08575	100.0
333.15005	5.2
351.09595	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2177
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
55.01862	1.2
55.05506	4.5
56.05019	1.5
60.04520	21.0
67.05495	3.7
68.05077	0.6
69.03416	1.6
69.07059	8.8
70.06593	12.1
70.06959	1.6
71.04993	1.4
71.58936	1.3
71.59308	0.9
72.08143	2.4
75.68671	0.6
79.05490	3.1
81.03386	1.7
81.07039	3.3
83.04980	1.4
83.08601	2.1
84.04510	1.1
84.08138	3.0
85.02900	1.0
86.06068	4.0
86.09697	85.8
87.04490	1.0
87.05590	9.9
87.10033	1.3
91.05468	3.7
93.07018	2.6
94.06545	2.3
95.04955	1.2
95.08582	2.9
96.08120	1.1
97.02900	0.8
97.06535	1.1
97.10152	2.4
98.06053	1.6
98.09667	0.9
98.98457	1.4
99.04464	0.8
100.11266	1.1
100.53632	0.7
105.06520	1.4
105.07107	1.4
107.08562	2.6
108.08083	1.4
109.06493	0.8
109.10134	1.0
110.09674	1.0
116.10722	3.6
117.07013	0.8
119.08537	1.0
120.08072	2.3
120.33192	0.7
121.06499	1.4
121.10186	0.8
123.08033	1.6
123.61091	0.8
125.09599	3.1
128.10710	11.4
129.10207	1.2
130.96338	0.8
132.10178	4.4
135.08014	1.3
136.07536	1.2
146.06058	1.0
156.03564	0.7
158.05966	1.0
173.12845	100.0
174.13171	1.2
189.11229	1.3
193.12126	1.0
199.11594	0.7
200.11581	0.9
201.12326	23.6
211.13200	1.9
218.12840	0.9
219.13318	2.3
222.14934	1.4
227.11713	0.9
296.18585	3.1
301.11862	1.4
314.19565	10.5
315.13434	1.1
332.20746	1.0
332.24304	3.5
333.06088	1.5
333.10629	0.8
333.14465	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	332.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.05506	4.5
56.05019	1.5
60.04520	21.0
67.05495	3.7
68.05077	0.6
69.03416	1.6
69.07059	8.8
70.06593	12.1
70.06959	1.6
71.04993	1.4
71.58936	1.3
71.59308	0.9
72.08143	2.4
75.68671	0.6
79.05490	3.1
81.03386	1.7
81.07039	3.3
83.04980	1.4
83.08601	2.1
84.04510	1.1
84.08138	3.0
85.02900	1.0
86.06068	4.0
86.09697	85.8
87.04490	1.0
87.05590	9.9
87.10033	1.3
91.05468	3.7
93.07018	2.6
94.06545	2.3
95.04955	1.2
95.08582	2.9
96.08120	1.1
97.02900	0.8
97.06535	1.1
97.10152	2.4
98.06053	1.6
98.09667	0.9
98.98457	1.4
99.04464	0.8
100.11266	1.1
100.53632	0.7
105.06520	1.4
105.07107	1.4
107.08562	2.6
108.08083	1.4
109.06493	0.8
109.10134	1.0
110.09674	1.0
116.10722	3.6
117.07013	0.8
119.08537	1.0
120.08072	2.3
120.33192	0.7
121.06499	1.4
121.10186	0.8
123.08033	1.6
123.61091	0.8
125.09599	3.1
128.10710	11.4
129.10207	1.2
130.96338	0.8
132.10178	4.4
135.08014	1.3
136.07536	1.2
146.06058	1.0
156.03564	0.7
158.05966	1.0
173.12845	100.0
174.13171	1.2
189.11229	1.3
193.12126	1.0
199.11594	0.7
200.11581	0.9
201.12326	23.6
211.13200	1.9
218.12840	0.9
219.13318	2.3
222.14934	1.4
227.11713	0.9
296.18585	3.1
301.11862	1.4
314.19565	10.5
315.13434	1.1
332.20746	1.0
332.24304	3.5
333.06088	1.5
333.10629	0.8
333.14465	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	332.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61705	1.0
55.01864	4.1
55.05509	10.8
56.05024	2.1
56.96558	2.4
58.06611	1.6
60.04517	8.1
61.31899	1.1
62.06081	3.8
67.05495	12.0
69.03437	7.8
69.07066	9.0
69.76287	1.1
70.06589	17.2
70.58110	1.9
71.04987	3.6
72.08156	7.7
74.06082	1.7
79.05489	14.0
80.05038	2.4
81.03404	9.8
81.07055	18.2
82.66703	1.1
83.04969	6.6
83.08622	7.3
84.04498	10.0
84.08141	4.3
85.02898	3.5
85.06554	2.0
86.06062	33.3
86.09698	37.2
87.04457	26.7
87.05606	1.7
87.08105	1.7
88.03992	4.9
91.05467	8.9
93.07030	12.0
94.06570	2.4
95.04949	5.6
95.08603	9.2
96.08113	2.8
97.02880	1.4
97.06531	8.7
97.10183	3.8
98.06049	17.7
98.98450	3.4
99.04448	2.8
99.08119	1.3
102.05546	3.3
104.07088	18.4
104.87811	1.1
105.07026	9.9
106.05016	3.0
107.04930	2.1
107.08607	9.0
109.02879	1.8
109.06575	2.2
109.10149	2.0
111.08078	2.3
112.07584	6.1
114.05499	1.6
116.98554	1.3
117.06991	2.1
119.08589	5.2
120.08094	3.5
121.06509	4.3
121.10150	6.4
122.02744	2.9
123.08060	2.5
124.07600	4.7
125.09642	3.5
126.05519	2.2
126.09205	1.5
128.10704	2.1
129.10266	2.0
131.05009	1.6
131.08572	3.5
132.10199	1.3
133.10132	4.4
135.08078	1.6
135.11682	2.9
136.07588	2.6
138.09097	1.4
138.12756	1.6
140.07051	2.8
142.08646	4.9
145.10126	4.3
146.11771	4.7
147.04422	2.5
147.11661	4.2
149.09607	16.4
151.07500	1.5
152.07019	3.0
154.08643	1.5
157.10074	2.7
158.08163	3.7
163.11201	4.8
165.12724	3.4
166.12227	1.5
167.10654	3.4
169.08577	13.0
173.12833	16.6
175.11171	2.7
180.04904	1.2
181.12259	2.9
184.13336	3.8
187.07195	1.4
191.41501	1.4
192.13841	1.7
193.12213	9.8
195.13744	2.6
201.12329	5.5
203.14020	1.3
208.06136	1.8
210.14909	8.5
211.13258	17.6
212.16368	1.5
219.13455	3.5
227.12762	7.7
228.16031	2.1
252.15982	6.0
260.16504	2.6
268.19037	1.5
269.09329	1.7
270.16959	8.2
278.17545	4.2
288.18021	13.5
296.18564	3.0
314.19583	100.0
315.09927	2.9
315.19803	1.5
332.13715	2.9
332.20782	2.3
332.24298	16.4
333.14542	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	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.34064	1.0
56.96576	1.3
57.03431	1.4
59.62692	1.0
61.02910	3.3
67.05476	3.1
69.03428	8.6
70.06586	2.8
70.89928	1.9
71.87578	1.1
72.08141	3.8
73.02899	3.1
81.03397	3.4
81.07046	0.9
84.04455	1.4
84.08132	3.1
85.02898	13.5
86.09715	9.2
87.04459	2.2
96.08121	1.2
97.02877	7.2
98.97580	1.7
104.10722	3.3
106.06548	3.8
108.08114	100.0
119.01913	1.8
123.06806	4.3
124.07568	17.1
127.03889	4.4
130.05008	1.2
133.03468	3.8
134.06026	10.7
136.07579	14.7
148.06075	1.1
152.07060	70.1
153.07414	1.3
154.08559	1.5
157.13329	3.0
159.05029	1.8
161.05502	4.5
170.08073	9.9
170.09265	1.4
185.12860	2.2
219.07202	1.8
229.30415	1.0
231.07228	1.2
242.07825	2.0
245.05070	1.5
272.09573	1.2
273.00409	1.9
281.45303	1.3
288.30591	1.2
314.12323	43.3
314.16006	2.2
321.10181	4.3
332.13358	59.0
333.06741	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	331.284
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05507	9.9
57.03426	8.2
57.07072	100.0
67.05501	26.5
69.07066	19.0
71.08627	74.4
71.60922	3.8
75.80804	3.3
76.58831	3.8
79.05477	4.2
81.07063	36.3
81.45691	3.7
83.08611	28.0
85.10165	38.0
86.75775	3.8
93.07033	5.8
95.08595	61.1
97.10169	14.1
98.98463	49.8
107.08535	3.7
109.10139	28.5
111.11726	7.4
116.99448	3.8
123.11708	13.0
127.03890	19.0
137.13310	4.7
239.23616	17.7
257.24811	7.0
313.27322	62.7
331.34210	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	332.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05509	0.9
56.96547	0.4
57.07103	0.3
58.06591	0.4
60.04517	1.0
67.05507	0.6
69.03425	0.8
69.07069	1.2
69.94138	1.6
70.06590	2.8
71.05002	0.3
72.08148	0.9
72.93772	0.4
74.04348	0.3
79.05490	0.9
81.03416	1.0
81.07062	1.3
82.06578	0.3
83.08638	0.5
84.04491	1.4
84.08125	1.7
85.02895	0.4
85.06539	0.3
86.06059	2.6
86.09701	2.9
87.04456	1.3
87.08129	0.4
90.94827	0.4
91.05477	1.2
93.07050	1.0
95.04924	0.7
95.08603	0.5
96.08098	0.6
97.02918	0.5
97.06544	0.5
98.06045	2.7
98.20898	0.4
98.98460	1.4
99.04436	0.4
104.07108	0.4
105.07034	0.6
107.04948	0.5
108.08105	0.7
109.10205	0.4
110.07143	0.5
116.10666	0.4
116.98576	0.4
119.08580	0.5
120.08136	2.0
121.06493	1.1
121.10143	0.9
123.08117	0.6
124.07599	1.7
126.05476	0.7
129.10219	0.9
130.06532	0.4
130.08655	0.4
133.10143	0.4
135.08173	0.4
137.05971	0.7
138.09135	1.4
139.28629	0.3
140.07057	0.4
142.08653	0.4
144.95868	0.4
147.04437	0.5
147.11729	0.4
149.09596	1.4
151.07498	0.5
152.06111	1.6
153.06982	0.4
162.96910	0.3
165.06964	1.5
165.45792	0.3
166.12212	0.3
167.08533	5.9
168.08810	0.3
169.06441	0.4
176.07384	0.4
177.06978	2.4
178.07721	0.5
179.08656	0.4
181.06519	1.3
184.13344	0.5
188.06984	0.5
190.55611	0.3
193.06453	0.3
193.12198	0.8
194.05612	0.6
194.07243	4.9
195.08037	18.3
196.08315	0.5
198.11272	0.5
199.07547	2.6
199.11742	0.3
200.11783	0.5
205.06450	1.1
207.07971	0.7
209.05965	1.1
211.13322	0.4
218.12825	0.6
222.09033	0.7
223.07515	100.0
224.07852	3.4
225.09119	1.8
227.07001	4.5
234.15018	0.3
234.98969	1.1
235.02740	0.6
240.10292	0.5
241.08600	1.0
251.07004	3.3
252.15842	0.9
268.09668	2.9
269.08063	37.4
270.08426	1.4
273.07642	0.3
286.10724	14.2
287.11093	0.7
288.17972	3.7
314.11707	0.5
314.19504	3.3
315.08591	4.7
332.11209	16.8
332.20407	0.8
333.11563	0.8
346.68079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.7
57.03429	5.8
57.07072	53.5
58.07393	2.5
67.05499	16.8
68.75318	2.1
69.07064	13.5
69.29550	5.2
69.29974	14.7
70.06247	1.8
70.06571	9.9
71.08221	2.2
71.08626	40.1
75.04469	2.0
81.07051	21.0
82.41463	1.7
83.08614	14.0
85.10184	18.4
88.07626	14.4
89.07967	2.0
91.05475	3.8
95.08599	31.1
97.10152	7.2
98.20692	4.0
98.98458	39.6
102.09160	5.7
105.07003	2.9
106.08633	7.2
109.10151	12.1
116.99569	2.0
119.08508	2.9
121.10118	2.5
123.11723	6.1
127.03922	11.8
130.95053	1.7
137.13275	3.8
145.10104	2.6
193.14963	1.8
221.22668	2.4
239.23735	10.0
257.24686	3.8
279.74036	2.1
313.27347	33.4
313.32983	8.3
331.33975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32074	0.9
55.05509	7.9
57.03419	3.8
57.07072	55.2
58.07403	1.8
64.81699	0.9
65.98922	0.8
67.05164	1.1
67.05499	14.1
69.07059	10.7
70.06593	12.7
71.06911	3.0
71.08627	37.2
72.08949	1.0
75.04482	1.6
79.05477	2.2
81.07054	17.2
81.70391	0.9
83.08608	13.7
85.06510	1.6
85.09704	1.6
85.10176	19.6
86.10507	0.9
88.07624	20.0
89.07954	4.8
91.05453	1.7
93.07049	2.3
95.08599	26.8
97.06510	1.0
97.10146	8.5
98.20773	2.2
98.98464	17.6
102.09168	4.5
103.09517	1.3
105.07040	1.2
106.08654	13.2
107.09020	2.3
107.11406	0.9
109.10145	14.6
111.11681	2.4
112.57938	0.9
116.99479	1.3
119.08549	1.8
123.11697	6.0
127.03888	5.6
131.08537	1.0
137.13228	1.8
139.14839	1.2
143.08537	1.3
145.10135	1.4
151.11115	0.9
151.14890	1.6
151.19427	0.9
171.01576	1.0
176.98875	1.4
224.18221	0.9
239.23651	9.5
257.24722	4.2
276.28381	1.0
313.27356	28.2
313.32828	12.4
331.18756	7.8
331.33975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.3
57.03432	7.0
57.07074	100.0
67.05506	31.4
69.07056	24.8
70.06565	7.4
71.08629	71.4
71.60840	7.5
73.12833	6.5
75.04466	5.6
81.07040	52.6
83.08611	24.6
84.89387	6.0
85.10162	43.1
88.07629	6.8
89.06037	6.7
91.05473	7.1
93.06989	8.3
95.08606	60.6
97.10157	12.0
98.98460	90.1
98.99051	10.9
107.04950	6.4
109.10163	30.4
111.86356	6.0
116.99529	6.6
117.06958	6.5
118.64011	5.9
119.08587	14.2
123.11752	9.2
127.03928	31.1
131.08560	9.9
137.13280	11.4
159.11725	5.5
172.91168	5.7
234.03464	6.3
239.23717	21.8
313.27390	64.8
331.22528	26.7
331.33975	65.0
349.56912	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	331.2241
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
57.07055	0.8
57.56316	0.4
58.71440	0.5
68.56360	0.5
69.38007	1.9
69.38435	2.4
71.08611	0.5
81.07053	0.8
85.10125	0.5
95.08574	0.8
98.98476	4.7
102.74694	0.4
108.51025	0.5
127.03915	3.0
141.33319	0.4
145.10120	1.2
166.71609	0.4
169.03229	0.6
169.72646	0.4
172.94194	0.4
279.67114	0.4
329.89523	0.5
331.22412	100.0
332.22815	2.5
348.98077	0.5
350.15970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.1
56.05029	4.0
56.94312	0.5
56.96559	3.9
57.03413	0.6
57.07055	0.5
58.06598	1.1
58.41226	0.5
60.04507	0.7
60.05629	1.0
61.02919	0.8
66.52563	0.4
66.74586	0.5
67.05476	1.5
69.01221	0.5
69.03409	1.3
69.07047	2.0
70.06585	12.0
71.04977	0.9
71.59241	0.7
72.08147	11.0
73.02905	0.9
74.06061	1.0
82.06579	0.7
83.04974	0.6
83.06084	1.2
84.04494	8.7
84.08134	100.0
85.02898	3.1
85.06525	0.7
86.06052	0.9
86.09695	27.4
88.03960	0.6
89.07133	1.5
90.94807	0.7
91.05471	1.0
94.37570	0.4
95.04977	0.5
95.06072	0.6
96.08125	1.3
97.02892	1.4
98.97605	1.3
98.98458	13.8
101.07129	1.4
101.10780	4.8
102.05543	3.9
102.09179	0.9
104.07104	0.4
106.06541	0.8
108.08105	12.8
110.06027	1.2
110.07168	1.4
111.09196	1.0
112.07600	1.0
112.08704	1.2
112.10368	0.5
115.08715	0.9
116.06310	0.4
116.07108	1.5
116.98605	1.1
122.97426	0.5
124.07584	3.1
127.03915	2.5
127.08646	1.0
128.07106	0.5
129.10226	71.8
130.04999	11.7
130.08620	1.0
132.04454	1.0
132.10233	0.6
134.06017	1.3
134.99638	1.2
136.07555	2.7
146.99551	0.8
147.04437	1.1
147.07629	15.6
147.11308	1.7
149.01346	0.5
150.05481	1.0
151.05887	1.1
152.07039	10.0
152.14375	1.5
155.11763	1.4
157.13330	6.2
158.99603	0.7
161.01210	0.7
161.12933	0.7
164.10754	1.3
165.00749	0.9
166.05124	0.6
166.08696	0.6
168.06590	0.7
170.08139	1.4
171.14853	2.3
172.10831	0.7
173.01289	1.0
174.99213	0.9
175.02699	0.5
175.04483	0.5
175.12004	1.0
176.98988	1.0
177.00735	0.7
183.07661	1.0
183.11269	0.8
185.06961	0.5
185.12810	1.7
191.02280	1.3
193.00308	0.8
197.13016	0.6
197.16460	3.7
197.77713	0.6
199.14508	0.8
200.10405	1.0
200.13933	5.2
201.00717	1.1
203.13985	1.5
205.05534	0.6
218.15057	1.4
219.01794	1.3
223.01360	0.7
224.17667	1.4
225.16074	0.9
230.95940	1.2
237.02898	1.5
242.18596	3.0
245.01064	0.5
258.95331	0.5
260.19754	2.0
288.97617	0.5
303.03998	0.5
313.22369	1.0
314.12311	4.5
314.20889	1.5
331.04858	0.8
331.15228	0.8
331.23590	20.1
332.13385	6.8
332.16998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1878
Annotation	Carnosol
Peak:m/z	Relative Intensity
55.05497	2.1
56.41388	0.8
56.96564	1.5
57.03426	1.2
59.98058	0.8
67.05506	2.5
69.07067	2.3
69.80180	1.8
69.80588	4.4
70.07412	0.9
71.04993	1.7
79.05492	2.0
81.03395	1.3
81.07056	2.4
83.05014	0.8
83.08633	1.2
85.02933	0.7
91.05476	2.3
93.07034	1.9
95.04997	1.0
95.08589	1.6
97.06528	2.4
98.20865	1.3
98.98462	19.0
103.05477	0.9
105.07033	3.1
107.08595	0.8
109.10160	1.2
116.98672	1.0
116.99490	1.0
117.07059	1.1
119.08619	2.1
120.62552	0.7
121.10112	1.4
127.03918	5.3
131.08556	1.6
133.10138	1.4
143.08577	1.2
145.10123	2.8
159.11722	1.7
161.09605	0.9
173.13338	1.0
201.09676	1.3
213.09753	1.0
231.10782	1.9
242.90985	0.9
257.19083	1.3
269.12500	1.2
284.91519	1.0
331.18796	100.0
332.19138	3.1
349.17056	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	331.1877
Annotation	Carnosol
Peak:m/z	Relative Intensity
50.00782	1.1
55.05512	1.4
56.77577	1.0
56.88179	0.9
56.96562	1.6
59.47041	1.0
67.05493	2.4
69.07035	1.4
70.56672	3.4
79.05477	1.7
81.07052	2.2
91.05467	3.4
91.20372	0.9
93.07053	2.3
95.04954	1.0
98.20803	1.3
98.98459	30.4
100.98830	1.1
105.07039	1.8
107.08580	1.7
109.10149	1.3
116.90728	0.9
116.98606	2.1
116.99439	1.9
119.08592	2.4
127.03908	4.9
134.99623	2.2
145.10077	1.6
151.11150	1.2
159.11752	1.5
176.98875	1.9
242.90933	1.3
251.16406	1.4
281.93365	1.0
284.91464	1.3
313.17709	2.5
331.18774	100.0
332.19101	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	331.1285
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
53.03935	0.4
55.01869	2.3
55.05510	0.6
60.04510	1.2
67.05503	1.3
69.03414	0.5
69.07065	0.8
70.06571	0.5
72.08148	1.0
79.05471	1.1
80.05029	0.6
80.24001	0.4
81.03429	0.4
81.07055	1.0
82.06581	0.7
83.04954	0.4
86.09714	0.5
87.06380	0.4
91.05453	0.9
93.07034	1.1
94.06556	1.7
95.04947	0.5
95.08594	1.0
98.06043	0.5
98.98461	2.8
105.07037	0.7
106.06568	3.1
107.08565	0.5
108.04484	3.0
108.08112	0.6
109.10156	0.7
110.06039	1.3
111.08086	0.5
117.07002	0.4
120.08112	0.6
121.06539	0.6
122.06030	3.1
123.11681	0.5
124.07576	0.6
127.03891	0.7
131.07275	0.7
131.08533	0.4
132.08113	0.5
133.07597	0.7
134.05978	1.8
136.03961	2.7
136.07579	0.6
137.05896	0.4
143.08488	0.5
144.23112	0.4
146.06018	0.5
148.03914	0.7
148.07626	0.9
150.05528	1.4
152.07037	0.7
156.08119	0.6
158.09665	1.3
159.09187	0.8
160.07640	0.7
161.07114	1.4
162.05507	7.3
163.06247	0.6
164.07060	3.0
166.08675	0.5
168.06586	1.7
168.08026	0.7
169.07602	0.6
169.08911	0.8
170.06172	0.5
170.08191	1.5
170.09683	1.4
172.06300	0.4
172.09920	0.6
172.11235	1.0
173.07198	0.5
173.10759	1.7
174.09160	0.5
175.08742	0.6
176.07065	2.2
183.09192	1.3
184.07541	1.4
184.11206	1.1
185.10860	0.5
186.07857	1.3
186.09293	0.5
187.08650	3.5
187.12331	0.6
189.06581	6.6
189.12749	0.4
193.12115	0.5
194.08122	0.8
197.08434	0.5
197.10698	1.2
198.09146	1.4
199.08557	2.0
200.09441	1.6
201.10239	6.6
202.10861	0.4
203.08154	3.5
208.05914	0.4
211.08607	1.9
211.12346	1.4
212.07129	0.8
212.10710	1.4
213.10231	3.2
214.07355	1.7
214.10817	0.4
215.08151	13.0
215.11642	4.3
216.08435	0.6
216.12354	0.4
221.10727	0.4
222.09198	0.5
225.10237	2.1
226.08658	1.0
226.10876	0.6
227.08083	1.8
228.08942	1.3
229.06155	0.9
229.09724	13.9
229.13191	2.4
231.11342	0.9
239.08142	1.3
239.11794	2.7
240.10120	1.2
241.09822	2.5
241.13324	0.4
242.10619	1.1
243.07626	3.3
243.11278	7.3
247.14421	1.1
251.08549	1.6
252.08853	0.5
253.09776	2.2
254.10532	0.7
255.07784	0.4
255.11281	1.0
256.08426	0.5
257.09207	8.7
257.12857	6.9
259.10864	1.3
267.11279	4.0
268.09619	0.7
269.09244	0.8
271.07520	0.6
271.10776	6.7
275.13864	3.8
280.08353	0.4
285.09030	0.7
285.12329	11.6
289.11612	0.4
295.10803	4.2
303.13419	3.9
313.08521	0.7
313.11777	19.1
331.12863	100.0
332.13303	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02664	2.8
53.03934	3.9
55.05302	2.6
55.05512	33.4
56.96565	13.8
66.09110	2.6
67.05492	16.9
69.03421	4.5
69.07076	27.7
69.72559	18.4
70.06594	3.2
79.05481	12.4
81.07047	12.3
83.04952	3.3
83.08609	30.7
87.04437	3.7
91.05468	4.1
93.07039	9.3
94.87909	2.8
95.05000	3.8
95.08615	4.1
96.69799	2.7
97.02851	2.8
97.10158	48.3
98.20646	2.9
98.98461	100.0
105.07021	4.2
107.04979	2.7
107.08589	17.7
109.10203	2.8
111.08045	3.4
115.07560	3.5
116.99472	5.3
119.08517	6.5
121.10085	3.9
125.09624	37.5
127.03912	6.0
137.05962	4.5
147.11624	2.9
151.11223	3.7
153.09084	3.0
162.95309	6.0
171.10095	3.5
174.99196	5.0
176.96809	3.4
176.98901	7.6
189.11201	66.6
190.11516	2.9
222.89958	5.3
233.03136	9.4
240.90894	14.9
277.21558	27.5
282.91946	5.8
306.92001	9.9
324.92963	6.2
330.05939	3.8
330.20316	3.4
330.29959	5.6
331.15723	9.4
349.16901	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	330.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.8
53.89260	0.5
55.01865	3.3
55.05497	4.7
56.05013	0.9
57.03430	0.6
60.04516	2.4
62.06084	7.6
64.73070	0.6
67.05502	2.4
68.05009	0.6
69.03406	0.7
69.07064	37.7
70.02948	1.5
70.06584	8.6
70.84595	0.8
70.84928	1.3
72.08151	15.0
73.02914	4.1
73.06549	2.7
79.05491	3.5
81.03416	1.1
81.05776	0.7
81.07050	7.5
83.04992	1.3
83.08617	1.7
84.04494	1.1
84.08147	2.0
84.43776	0.6
86.06061	41.3
86.09697	3.9
87.04459	0.8
87.06409	0.9
88.03998	1.2
91.05469	2.7
92.61173	0.7
93.07030	2.4
94.06586	0.6
95.04944	1.4
95.08612	1.6
96.08126	4.0
96.31729	0.6
97.06532	4.3
97.58216	0.5
98.06071	2.0
98.09678	5.6
98.98454	6.9
99.04436	3.0
100.07599	1.7
100.73321	0.5
101.02375	11.4
105.07012	0.8
107.08594	1.1
108.07445	0.6
108.08088	3.1
109.06510	14.8
110.06049	1.4
110.07042	0.6
110.09668	1.1
111.08078	8.0
111.08782	0.9
114.09180	1.4
115.07560	2.2
116.10721	24.9
120.08098	1.0
121.06494	2.0
121.08908	1.3
124.07549	1.0
124.11208	1.6
126.05494	2.8
129.10217	0.7
134.09663	4.7
137.05974	7.3
138.09137	1.7
140.10715	1.2
141.09108	4.0
142.08604	4.7
142.12245	0.8
144.06557	1.8
145.05023	0.7
150.09120	0.7
152.10719	4.3
154.08577	1.4
155.07007	1.4
156.08437	0.6
158.11757	3.6
159.10178	0.7
159.11841	0.7
167.07082	0.7
168.10165	0.7
169.08287	1.2
169.12218	2.3
170.11749	9.7
171.14912	3.8
180.10207	3.7
182.08112	2.1
182.11983	0.7
185.04211	0.8
185.09373	0.6
198.11241	87.0
199.11542	1.4
199.14407	1.7
200.09253	0.7
203.05347	0.8
209.11571	0.6
212.16455	3.6
216.12297	100.0
217.12633	1.4
230.17522	2.3
233.03099	1.6
234.43188	0.7
268.14603	1.5
269.14328	0.6
294.16928	1.3
312.18030	14.4
313.11655	0.7
330.11496	0.6
330.19037	4.9
331.09470	1.1
331.13623	10.5
348.10361	1.7
351.51004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1907
Annotation	Gabapentin enacarbil
Peak:m/z	Relative Intensity
53.03936	1.0
55.01868	2.5
55.05500	4.9
56.05035	1.0
60.04519	1.2
62.06079	5.9
66.75781	0.9
67.05496	1.3
69.03418	1.0
69.07064	33.1
69.79906	6.1
70.02951	2.4
70.06579	2.0
72.08148	9.0
73.02898	3.8
73.06548	3.0
79.05488	3.2
81.03449	0.9
81.07050	5.0
83.08618	2.0
86.06061	38.2
86.09703	1.9
88.04012	0.9
88.40624	0.8
91.05473	2.2
93.07036	2.1
95.08628	1.4
96.08138	4.3
97.06573	5.2
98.09698	3.8
98.98466	2.8
99.04457	3.3
100.07592	1.2
101.02366	7.8
108.08113	3.3
109.06509	12.5
110.06039	1.1
111.08064	8.5
115.07543	2.4
116.10724	20.7
116.11510	1.7
121.08893	1.8
124.07596	1.3
124.11224	1.7
126.05530	2.4
134.09648	4.1
136.38470	1.1
137.05940	5.2
138.09113	2.0
141.09135	2.7
142.08626	4.0
144.06482	1.3
145.04948	1.4
152.10684	2.6
158.11821	2.6
159.10193	1.2
169.12152	0.9
170.11745	7.7
171.14926	1.8
180.10182	3.4
182.08090	1.8
198.11244	81.9
199.11630	2.6
212.16507	2.6
216.12296	100.0
217.12704	2.1
230.93346	0.9
233.03032	1.4
294.17136	1.8
312.18027	18.4
330.19293	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	330.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.8
53.03942	2.2
55.01865	1.1
55.05509	0.8
56.05030	1.4
56.96562	1.0
57.03432	1.6
57.82660	0.4
60.04528	0.9
69.03429	8.8
69.07063	4.0
69.63297	3.0
70.06588	24.6
71.04984	1.2
71.06921	1.0
72.08152	3.7
72.93781	0.4
73.02913	1.8
74.06079	2.0
78.03449	10.9
79.05489	0.9
80.05011	3.1
81.03412	16.5
81.07065	0.5
82.06588	0.5
83.01323	0.6
83.04934	0.7
83.68764	0.5
84.04491	2.4
84.08143	6.8
85.02411	1.0
85.02900	11.1
86.09698	6.5
87.04506	0.7
88.03983	0.6
91.05486	1.0
95.04933	0.5
95.06042	0.5
96.04486	7.3
97.02898	5.7
98.06013	0.4
98.98457	12.5
99.04424	2.7
101.07107	0.7
102.05515	0.9
106.02909	64.5
107.08549	0.5
109.02874	12.4
109.03584	1.0
109.75415	0.4
110.07169	1.2
115.07574	0.8
116.07078	4.2
116.99478	0.7
119.04939	0.6
119.06026	0.4
120.08137	0.6
121.06419	0.5
124.03944	100.0
124.81024	0.5
125.04285	1.3
127.03899	8.6
127.08643	3.1
129.10214	2.7
130.06511	0.4
134.95769	0.5
136.07559	0.8
137.05943	0.6
138.05527	0.5
145.04938	0.9
147.04422	1.0
150.05513	0.5
150.96925	0.5
155.08150	0.9
161.01218	0.9
162.95294	1.6
162.96797	0.5
164.07033	0.5
165.74887	0.4
166.04993	1.1
168.06581	1.4
176.96764	0.6
176.98831	0.8
178.05121	0.4
187.14436	2.2
196.06129	0.9
197.12820	1.1
201.12280	0.5
204.06581	0.4
213.12314	3.7
214.12865	0.6
232.06096	3.6
233.03108	2.4
237.02722	0.5
247.14758	0.5
250.07098	30.4
251.07414	1.2
268.08151	22.4
269.08539	0.8
276.18362	0.5
294.06058	1.1
301.66995	0.5
330.08365	1.1
330.11731	3.7
331.04834	0.9
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
55.05509	0.9
61.19982	0.8
69.93782	4.6
88.84759	0.9
98.98468	42.8
98.99118	2.1
104.99271	1.4
116.99500	2.1
140.01083	1.1
155.29027	0.9
174.99232	2.5
176.98897	1.5
204.04332	0.9
218.90514	0.9
311.31519	1.0
329.20880	100.0
330.21164	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	330.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
52.79145	0.6
53.03946	2.9
55.01853	1.0
55.05505	0.9
56.05025	1.2
56.96547	0.7
57.03428	1.4
57.25010	0.5
58.01398	0.6
60.04498	1.2
61.02914	0.9
67.05497	0.6
69.03430	11.4
69.07066	4.4
70.06588	15.2
70.07851	0.5
71.04989	1.1
71.22511	1.3
72.08150	3.4
72.93806	0.6
73.02898	2.0
74.06066	2.2
76.71037	0.5
78.03020	0.9
78.03453	12.4
79.05475	0.8
80.05021	3.1
81.03415	16.8
81.07055	0.8
81.47476	0.5
82.03759	0.6
82.06532	0.7
83.04976	0.9
84.04503	2.5
84.08139	6.2
85.02905	11.4
86.09701	4.3
87.04446	0.8
88.03996	1.0
95.04987	0.8
96.04493	7.5
97.02903	5.3
97.06523	0.6
98.98463	13.3
98.99103	0.7
99.04454	3.6
106.02913	66.5
107.04993	0.6
108.08128	0.5
109.02865	11.5
110.02305	0.5
110.87595	0.5
115.07592	0.6
116.07069	2.1
116.98619	1.0
116.99448	0.7
119.04874	0.8
121.06403	0.6
124.03951	100.0
125.04305	1.8
127.03916	8.8
127.08670	1.3
129.10223	2.8
137.05966	0.8
140.07043	2.1
145.04951	1.1
147.04411	1.8
150.05435	0.8
151.97797	0.6
162.95273	1.3
166.05086	1.3
168.06575	4.5
176.98920	1.3
187.14424	1.2
196.06058	0.9
212.12874	2.2
213.12408	1.6
214.73068	0.6
232.06024	3.2
233.03120	3.1
250.07094	33.9
251.07646	0.9
268.08148	21.9
269.08749	0.7
294.06210	0.9
294.09674	0.7
298.16470	1.0
312.17969	2.0
317.09573	0.7
318.23441	0.6
330.11746	3.3
330.19260	2.6
331.04874	0.8
339.57672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1493
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
50.12043	0.2
55.05497	0.5
56.05034	0.4
56.96542	0.4
57.07064	0.3
58.04686	0.2
59.63994	0.2
60.04505	1.0
65.03939	0.5
67.05499	0.4
69.03422	0.6
69.07051	1.0
70.06588	3.8
70.88468	0.5
71.06907	0.4
72.08137	1.0
74.06062	0.3
79.05475	0.6
81.03400	0.4
81.07045	0.6
84.04477	0.7
84.08136	2.9
86.09704	3.1
87.05603	0.3
88.03986	0.6
91.05475	26.1
93.07028	0.6
95.04977	0.6
95.08610	0.4
97.03964	0.3
97.06524	0.3
98.20673	0.3
98.98457	14.2
102.05524	0.5
103.05479	0.6
107.04945	2.2
109.02860	0.3
109.06519	0.6
110.07149	0.4
112.08748	0.3
112.88242	0.2
115.07539	0.3
116.07061	0.3
116.99499	0.5
118.06526	1.1
119.04937	16.7
120.07227	0.5
120.08095	9.9
121.06482	2.4
121.10108	0.5
123.04451	0.3
127.03885	0.2
127.08637	0.2
129.10197	1.1
130.04994	0.3
130.08646	0.3
132.08086	0.4
132.95845	0.2
136.07567	100.0
137.05972	0.5
137.07901	0.9
143.04523	0.2
146.05978	1.3
147.04411	0.7
149.05957	0.3
166.08626	4.6
174.99217	1.3
176.98962	0.7
184.04611	0.8
192.06442	0.3
206.08105	1.2
210.02522	1.0
233.03149	0.3
237.02905	0.3
278.50031	0.2
283.14447	0.7
284.12939	0.4
312.12354	0.7
329.15088	3.7
329.21460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84233	1.6
55.01849	1.5
55.05501	7.0
56.96548	3.9
57.07070	3.7
67.05510	11.8
69.07059	14.5
69.49319	13.7
70.07851	2.3
76.25744	1.6
79.05486	9.4
81.03413	3.4
81.07057	15.1
83.04965	1.6
83.08604	2.3
91.05469	9.6
93.07034	8.8
94.99356	1.7
95.04957	4.2
95.08582	7.9
97.02902	1.6
97.06508	1.8
97.69099	1.6
98.09677	4.8
98.20745	3.4
98.98460	100.0
105.07011	6.6
107.04926	2.2
107.08581	4.4
108.10674	1.5
109.10163	2.8
115.07533	2.3
116.98708	1.8
116.99503	6.3
117.07007	2.7
119.08564	3.2
121.10119	3.6
122.26266	1.5
123.08037	2.9
130.93327	2.3
131.08533	2.7
133.10107	5.6
135.11671	5.4
136.63058	1.5
137.05946	3.6
145.10126	3.1
146.97446	1.8
147.11670	2.0
148.94333	1.9
149.09662	1.8
149.27629	1.7
163.11134	1.7
172.94374	2.1
174.97081	1.8
174.99197	10.9
176.98958	4.3
181.12231	3.1
190.95369	8.6
193.12248	2.5
206.71941	1.8
208.96480	4.9
215.18243	2.2
228.81415	1.6
229.07414	2.5
231.03355	5.9
232.96515	5.7
235.78276	1.7
247.08430	2.2
250.97510	4.7
252.97255	1.8
255.09044	1.8
275.20056	4.7
286.41241	1.6
290.52466	1.5
328.06216	2.9
328.18668	7.6
328.28439	3.2
328.93729	1.7
329.06635	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46780	2.0
53.03931	2.8
55.01856	6.3
55.05259	3.9
55.05510	57.8
56.96548	3.2
57.03424	3.4
59.05001	2.4
67.05504	17.7
69.03425	7.1
69.07068	20.3
79.05496	32.1
81.07059	19.2
83.04974	7.4
83.08614	34.7
91.03937	2.2
91.05462	14.6
91.68701	2.1
93.04910	2.0
93.07037	12.4
95.04984	3.9
95.08604	6.2
97.06539	5.0
97.10170	74.2
98.21513	3.9
98.98461	53.2
105.07021	13.3
107.08588	87.1
109.06525	4.0
109.10166	3.0
111.08071	2.9
116.99512	3.8
119.08598	5.5
121.10120	3.1
125.09626	74.6
131.08557	4.1
133.10110	10.9
135.08051	6.4
135.11633	3.0
143.10669	3.5
145.10133	6.6
147.11681	4.8
153.09064	2.7
157.10211	3.3
159.11719	2.1
160.95549	3.4
161.13268	2.2
171.10153	5.6
172.94341	3.1
174.99261	5.2
181.12218	3.0
189.11211	100.0
190.95413	6.6
196.70119	2.5
208.96431	5.0
221.50638	2.9
231.03302	3.7
232.96429	9.6
239.17934	4.0
248.06693	2.4
250.97504	9.0
257.19040	5.9
275.20044	71.5
293.20886	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	327.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01863	6.0
55.05507	13.5
56.96564	13.9
57.03435	2.8
57.07065	5.0
58.85558	1.3
59.33216	1.3
65.03925	1.8
67.05504	25.5
69.03439	9.2
69.07066	22.7
69.71903	4.8
69.72327	5.6
70.06604	8.6
71.04978	4.3
72.08161	13.1
72.45528	1.6
73.02909	1.5
77.01559	1.5
79.05486	14.1
81.03413	17.7
81.07053	49.4
82.07360	1.6
83.04964	3.6
83.08617	8.2
84.08143	2.3
85.02907	3.6
85.06551	8.3
86.06073	1.5
86.09695	1.6
87.04455	1.5
91.05470	12.4
93.07039	20.7
95.04966	7.7
95.08043	2.1
95.08606	26.6
96.08097	1.4
97.02884	5.2
97.06525	8.1
97.10161	3.8
98.09705	1.3
98.98464	100.0
99.04449	3.0
99.08119	6.9
100.11265	3.2
103.05468	4.3
105.07023	11.7
107.04944	3.8
107.08590	14.6
109.02881	9.2
109.06508	4.6
109.10152	37.3
111.04442	4.1
111.08068	12.0
116.98584	2.2
116.99511	4.7
117.03406	1.8
117.07036	2.8
119.08560	9.8
121.06510	13.1
121.10153	9.6
123.04425	1.5
123.08043	2.6
123.11689	12.1
125.06007	1.9
125.09609	3.5
127.03893	4.7
131.04890	3.2
131.08548	3.6
133.01764	2.5
133.02792	1.5
133.06459	4.1
133.10118	4.9
135.08041	2.2
135.11714	6.9
136.07559	1.7
137.05988	25.2
137.09607	26.8
137.13222	6.0
139.11180	2.4
142.07539	1.4
145.02826	3.4
145.04921	1.7
145.10121	4.8
147.04370	2.5
147.08023	4.9
147.11636	5.0
149.13248	5.7
151.03915	2.4
151.07521	3.0
153.01852	3.1
153.12723	2.7
155.10640	2.8
155.14265	2.3
156.10213	2.0
159.11658	2.3
160.95653	1.8
161.05946	1.8
163.03958	2.2
163.07535	6.6
163.14804	3.9
165.09103	17.1
165.12788	2.5
171.07845	1.6
171.11708	2.0
173.09596	1.7
174.99223	13.8
175.07657	2.2
177.05440	4.2
177.16226	1.5
183.11591	1.6
189.00636	1.9
189.09074	1.5
190.95300	3.7
193.10019	1.5
199.11296	1.7
203.17911	1.9
205.11984	1.4
208.96396	1.7
210.15036	2.7
215.07089	1.5
231.03256	3.0
234.06763	1.8
238.10580	2.1
239.09343	1.6
250.97382	2.7
265.11115	5.7
277.08505	3.8
283.12448	3.0
285.11316	1.9
287.07819	2.2
291.26688	3.0
295.06204	2.3
295.09402	2.4
309.24335	2.0
309.27921	3.3
310.16556	2.0
327.05289	6.9
327.08551	5.6
327.12430	4.5
327.15875	4.7
327.23291	2.9
345.06839	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	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	3.5
53.03942	7.0
55.05505	16.5
57.03414	3.8
57.07069	13.3
59.04998	3.9
67.05503	33.0
69.07072	22.8
70.67125	11.8
71.04972	3.2
71.94582	3.2
79.05489	29.1
81.03396	6.5
81.07051	36.0
83.04939	4.5
83.08608	7.9
85.06525	4.1
90.56631	3.5
91.05475	38.8
93.07040	83.9
95.04964	100.0
95.08601	56.6
97.06525	23.5
98.21396	3.6
98.98465	34.3
103.05537	3.9
105.04504	3.2
105.06374	6.4
105.07022	73.4
107.08594	49.5
109.06506	9.2
109.10150	24.9
115.05424	5.0
117.07027	23.1
119.08570	64.4
121.06454	16.8
121.10142	36.7
123.08077	16.5
123.11705	8.8
128.06203	7.9
129.06976	7.3
130.07750	5.5
131.08568	29.9
133.06490	3.9
133.10123	53.1
135.08069	12.6
135.11681	13.2
137.09650	4.6
141.07010	3.7
142.07768	15.9
143.08551	25.0
144.09335	9.6
145.10115	46.9
147.11665	22.7
154.07785	4.4
155.08548	8.8
156.09303	8.1
157.10133	36.8
158.10873	7.6
159.11682	47.2
161.09596	16.9
161.13240	8.7
162.45316	3.5
167.08557	5.9
169.10109	15.7
170.10936	3.7
171.11664	14.6
172.92735	3.1
173.13268	18.7
174.99254	6.0
175.11157	4.4
175.14816	19.3
181.10098	5.4
183.11650	16.2
184.12419	5.6
185.13255	11.4
187.11180	11.1
187.14795	17.6
193.10179	4.8
195.11530	5.2
196.12323	3.7
197.13260	12.5
199.14767	7.7
201.12724	3.9
201.16403	4.6
205.15947	3.6
207.11563	4.1
209.13245	11.8
211.14816	6.6
213.16356	4.5
215.14233	4.4
217.15901	6.9
223.14674	4.6
225.16307	7.2
227.14220	4.9
235.14745	8.6
253.15921	4.1
291.20911	5.9
309.22025	10.3
314.41937	3.6
327.23120	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	327.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12152	4.0
53.03955	3.4
54.29342	3.7
55.01867	5.8
55.05507	18.1
55.51635	3.4
57.07069	6.8
59.05008	5.5
65.03922	4.1
67.05505	40.4
69.07069	20.6
69.29801	39.9
72.08137	5.3
79.05493	20.4
81.03411	5.0
81.07046	43.8
83.08616	8.3
91.05475	48.4
93.07033	84.1
93.07619	4.3
95.04356	6.5
95.04961	100.0
95.08601	70.3
97.06528	26.8
98.98458	54.9
103.05478	4.1
105.07014	72.9
105.95363	3.2
107.08603	51.9
109.06520	15.2
109.10159	26.8
115.05466	3.7
116.41704	3.1
117.07004	22.8
119.08570	78.3
121.06517	27.2
121.10120	43.2
123.08080	16.2
123.11673	10.1
128.06242	6.3
129.07019	10.8
130.07774	10.0
131.08560	39.1
133.09225	2.2
133.10114	60.8
135.08086	14.4
135.11682	16.5
137.09634	8.2
141.07051	3.4
142.07790	11.1
143.08571	26.0
144.09358	8.3
145.10103	53.3
147.11691	19.8
149.09688	4.4
149.13324	5.9
151.11159	3.4
155.08540	8.8
156.09366	9.8
157.10098	39.8
158.10873	4.8
159.08092	9.4
159.11688	48.6
161.09569	16.5
161.13176	5.4
163.11183	3.5
166.07758	3.5
167.08591	4.5
169.10110	19.5
170.10947	4.7
171.11673	21.8
173.09628	4.0
173.13287	21.2
174.99231	4.8
175.11093	6.1
175.14798	26.0
179.08537	5.9
180.09377	4.1
181.09984	5.9
183.11726	17.7
185.09570	4.9
185.13263	12.4
187.11162	12.9
187.14792	18.0
189.12711	4.6
193.10062	4.9
194.10956	7.0
195.11714	6.8
197.13287	9.9
199.14804	11.8
201.16415	4.6
207.11694	7.0
209.13293	10.9
211.14757	7.9
213.16449	6.4
217.15878	10.7
221.13298	7.7
223.14810	4.2
225.16444	6.7
227.14334	5.5
229.15912	5.9
235.14857	10.8
249.16383	4.2
253.16028	6.3
253.19432	5.0
291.21167	7.5
309.22116	13.0
327.23190	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	327.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94186	1.2
52.58820	1.3
55.01864	5.5
55.05501	20.3
56.96564	3.6
57.03414	3.3
57.07063	2.0
59.04991	1.4
61.02927	1.6
61.78116	1.5
65.12704	1.2
67.05497	13.8
69.03412	4.5
69.07064	14.7
70.06579	2.1
71.04990	1.8
79.05484	12.8
81.03403	5.4
81.07040	16.8
83.04970	4.7
83.08607	12.0
84.08157	1.8
85.02883	1.8
87.80477	1.3
91.05484	8.1
92.52213	1.3
93.07030	7.9
95.04960	4.5
95.08600	5.0
97.02913	1.6
97.06523	16.7
97.10162	21.6
98.98455	100.0
99.08090	2.5
103.05441	1.4
105.07011	6.1
107.04977	1.7
107.08559	9.3
109.06496	2.4
109.10149	5.3
111.04439	3.9
111.08054	2.1
115.05392	1.4
116.98669	1.7
116.99510	5.2
117.06998	2.6
119.08575	5.7
121.06465	1.7
121.10112	3.9
123.04458	1.8
123.08083	8.0
125.09621	16.2
131.08522	3.1
132.96069	1.5
133.08661	1.6
133.10083	3.6
134.85707	1.4
135.08052	4.5
137.05983	2.5
137.09589	3.9
139.11154	2.3
140.01016	1.6
145.10106	2.4
146.97337	2.0
147.08038	2.4
147.11688	2.4
149.09653	1.9
152.06210	1.6
155.08582	1.4
157.10077	2.4
160.95612	2.1
161.05898	1.8
163.11131	4.2
165.09146	2.6
168.66432	1.3
171.10197	2.2
174.99191	11.5
187.14911	1.6
189.09428	1.0
189.11197	30.9
189.12866	2.0
190.95389	3.4
191.10619	1.3
193.12169	2.4
208.96379	3.2
211.13219	2.3
223.13263	1.9
231.03157	3.9
231.10083	1.8
232.08835	1.4
232.96393	3.8
233.06134	1.3
245.04771	1.7
250.97473	2.6
251.00003	2.0
273.18555	3.9
283.13226	2.2
285.10767	1.5
291.19495	20.7
309.20596	6.7
327.04956	1.9
327.08487	3.0
327.15802	6.0
327.19403	3.2
327.23077	2.2
327.27359	1.4
328.06168	1.6
345.19269	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	327.2164
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
55.01865	13.0
55.05501	5.2
56.96563	5.2
57.07072	1.5
67.05506	13.3
69.03419	2.3
69.07073	9.4
70.06600	2.4
71.05008	1.9
71.21618	2.6
71.21946	1.6
79.05494	7.3
81.03419	4.4
81.07060	8.4
83.04975	4.2
83.08608	2.8
84.08111	1.4
85.06543	1.9
85.73891	1.5
91.05486	4.2
93.07039	6.4
93.97690	1.3
94.33386	1.2
95.04964	6.6
95.08617	6.6
97.06525	21.4
97.10179	2.3
98.98458	100.0
103.05473	1.7
105.07030	5.0
107.04966	2.1
107.08585	4.4
109.02859	1.6
109.10155	7.4
111.04446	1.7
116.98713	1.6
116.99524	5.9
119.08585	2.9
121.10158	2.3
125.09607	7.3
127.03981	1.7
129.07034	1.7
131.08588	2.4
133.10126	3.3
135.11723	2.0
137.05975	3.0
137.09647	6.0
143.08543	2.4
145.10085	2.6
147.11630	1.8
159.11705	1.7
163.07556	2.1
163.11191	1.4
174.99168	10.8
185.13327	2.9
189.05544	2.4
190.95418	5.7
190.97052	1.6
200.14322	2.4
201.14699	3.7
208.96445	5.0
230.09296	1.4
231.03235	2.5
232.96487	4.2
250.97478	4.4
250.99905	2.2
263.20029	2.0
273.18539	2.3
283.08493	3.0
291.19510	10.5
301.06229	1.5
301.09476	2.3
309.20673	15.2
327.08304	3.0
327.15845	4.1
327.19327	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	327.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44168	0.7
53.03949	4.2
55.01873	5.0
55.05508	22.5
56.73188	0.7
56.96555	1.3
57.03426	2.3
57.07066	0.9
62.18160	0.8
63.73613	0.8
65.03934	2.0
67.05501	15.8
69.03424	7.7
69.07063	5.2
69.26743	8.5
70.06570	1.8
71.01344	1.5
71.04990	3.2
72.08146	0.9
72.21085	0.7
72.93787	1.1
79.05479	8.2
81.03410	24.6
81.07047	14.2
83.04974	100.0
83.08600	1.5
84.08086	1.0
85.02898	2.5
85.06542	1.8
86.09691	1.4
91.05469	6.1
93.07032	15.0
94.04154	0.9
95.04953	11.0
95.08612	5.5
97.02862	3.5
97.06531	3.7
97.10171	1.5
98.98457	37.8
99.04454	3.2
100.11268	1.1
101.05999	1.4
103.05462	1.7
105.07021	7.5
107.04934	4.0
107.08578	13.0
109.02878	11.1
109.06520	3.6
109.10148	19.4
111.04431	3.5
111.08082	2.9
115.05445	4.0
116.99500	0.9
117.06964	3.6
119.01913	1.1
119.08585	4.7
121.06459	4.2
121.10130	8.0
122.03648	1.3
123.04427	10.7
123.08054	1.8
125.05988	2.9
125.09657	1.2
127.03928	3.8
127.07552	2.0
129.06996	2.4
130.07793	1.1
131.04932	1.7
131.08548	3.5
133.06476	1.2
133.10135	1.1
135.08044	2.6
135.11690	2.9
137.05969	12.5
137.09599	31.3
139.11118	1.1
139.73743	0.7
143.04941	1.3
143.07178	1.0
143.08562	2.5
145.06461	1.6
145.10135	7.6
147.08029	3.0
147.11659	2.0
149.05997	1.1
149.09598	4.3
151.03882	1.6
151.07593	1.8
153.05469	1.5
153.09113	0.9
155.08516	1.0
155.10649	2.9
157.10066	2.2
159.11684	3.3
160.05179	0.9
161.02948	1.1
163.07516	1.3
163.11171	12.8
165.09096	20.3
166.09322	0.8
167.10690	5.9
169.08592	4.7
171.04382	1.2
171.11722	1.3
171.92841	0.7
173.09680	2.4
173.13219	2.4
174.99190	4.1
175.07550	3.2
177.05347	1.8
179.08498	1.4
181.12262	2.9
183.10123	0.8
185.11702	0.9
189.07024	0.9
189.12717	2.7
191.07028	1.8
191.10672	8.0
197.05923	0.8
203.06915	2.7
205.06506	0.8
206.07263	1.6
207.07936	1.3
207.13774	2.1
209.11737	1.8
217.06427	1.6
217.12219	1.4
227.12784	2.1
231.03098	2.4
234.06688	2.3
235.07559	1.7
235.13269	16.5
247.07645	1.4
249.09061	2.5
251.07077	1.0
254.62712	3.7
263.07266	1.0
265.08746	1.9
267.10382	1.8
277.08627	5.4
281.14005	0.9
285.11868	0.9
294.08807	2.4
295.09445	1.9
309.11115	3.6
309.16934	5.6
327.04803	2.1
327.11841	2.3
327.14362	3.5
327.17810	88.2
328.14435	0.8
328.18176	2.9
346.78931	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	327.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16594	0.2
52.24088	0.2
53.03927	0.7
53.73409	0.2
55.01863	0.5
55.05499	1.2
56.96550	0.7
57.03437	0.4
57.07061	0.4
61.02937	0.2
65.54962	0.2
67.05499	2.9
69.03436	1.3
69.07061	2.2
69.45174	0.4
69.45580	1.6
70.06576	0.8
71.04986	0.5
71.54993	0.2
72.08142	0.7
77.03903	0.2
79.05486	1.2
81.03408	2.6
81.07054	3.7
83.04966	0.4
83.08602	0.5
84.08126	0.5
85.02895	0.7
85.06537	0.5
85.73930	0.2
86.09716	0.2
89.33976	0.2
91.05473	1.7
93.07037	3.2
93.44566	0.3
95.04959	0.8
95.08609	2.2
97.02883	0.5
97.06506	1.7
97.10164	0.5
98.98457	14.8
99.04445	0.4
103.05461	5.9
105.07032	1.5
107.04984	0.3
107.08583	1.1
109.02853	1.1
109.06498	0.5
109.10148	3.5
111.04397	0.3
111.08085	0.5
116.99505	0.6
117.07018	0.5
118.06542	0.2
119.08584	0.8
120.08094	100.0
121.06501	1.5
121.08434	0.8
121.10152	0.8
123.08073	0.3
123.11705	0.5
125.09599	0.3
127.03920	0.7
131.04929	1.0
131.08548	0.3
133.06509	0.5
133.10092	0.6
135.08093	0.3
135.11624	0.6
137.05963	2.1
137.09607	3.9
137.13264	0.3
145.06413	0.3
145.10103	0.5
146.05978	0.3
147.04352	0.3
147.11652	0.5
147.72537	0.2
151.03970	0.4
151.07538	0.4
153.01860	0.5
155.10587	0.4
160.95604	0.3
163.07550	1.5
165.09099	3.0
165.12758	0.4
165.16174	0.3
170.89401	0.3
173.02248	0.3
174.99226	1.7
175.07494	0.4
179.08607	0.3
180.10181	23.9
183.10175	0.2
202.58643	0.2
203.07053	0.3
207.08163	0.3
213.09192	0.3
231.03212	0.4
241.08553	0.4
267.09766	0.4
267.14929	1.1
277.08807	0.5
283.13333	0.6
295.09552	0.4
310.20087	0.3
327.04910	1.4
327.08554	0.9
327.11981	0.6
327.17145	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	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02380	0.7
53.03924	1.4
55.01853	1.8
55.05507	2.3
56.96541	0.7
57.03425	1.4
57.07056	0.7
59.69580	0.4
61.33881	0.5
65.03921	0.8
65.17277	0.4
67.05496	7.1
69.03419	4.2
69.07060	3.1
70.06596	1.4
71.04979	1.6
71.59346	0.7
71.59753	0.6
72.08150	1.3
79.05488	5.3
81.03408	6.7
81.07047	8.1
83.04967	4.3
83.08633	0.7
84.04503	0.7
84.08122	1.4
85.02879	1.3
85.06543	0.6
85.89223	0.5
86.09685	2.1
89.06042	0.5
91.05473	6.8
92.04787	0.6
93.07028	5.6
94.04179	3.1
95.04957	4.4
95.08617	3.6
97.02868	1.7
97.06526	1.5
98.98459	24.8
99.04424	1.0
99.08082	0.9
103.05460	22.2
105.07017	13.4
107.04944	5.0
107.08598	4.0
109.02882	2.4
109.06519	4.0
109.09445	0.9
109.10146	10.7
111.04439	0.5
111.08073	0.8
115.05441	1.9
116.99512	1.3
117.06995	3.0
118.69265	0.4
119.04912	1.7
119.08575	3.1
120.05750	0.6
120.08109	0.8
121.06502	8.7
121.10126	2.6
122.03618	6.6
123.04420	2.0
123.08058	2.1
123.11678	0.5
127.03896	2.6
128.06209	1.2
129.06985	1.7
131.04916	25.0
131.08569	0.9
133.06479	38.9
133.10086	0.7
134.06863	0.6
134.99710	0.5
135.08035	12.8
135.11644	1.3
136.05212	0.9
137.05966	100.0
137.09592	15.8
138.06314	1.5
143.04901	1.5
143.08560	1.0
145.06471	8.2
145.10101	2.1
147.04364	1.0
147.08032	2.7
149.06003	2.2
149.09613	1.5
151.07533	12.8
155.10693	0.8
157.06413	3.1
157.10133	0.5
158.23232	0.5
159.08063	0.6
159.11693	0.6
161.05966	1.0
162.06761	1.0
163.07529	57.4
163.11130	2.7
164.07941	0.7
165.05565	0.5
165.09103	10.6
167.08536	0.9
167.10686	1.1
171.07986	2.2
172.05228	0.5
173.09566	0.7
174.06783	0.6
174.99203	2.9
175.07523	3.1
177.09097	1.9
179.08597	0.7
181.12172	0.8
183.10170	0.6
187.07527	1.8
189.09091	1.8
189.12827	0.5
191.10689	2.1
194.07158	0.5
202.07643	0.7
203.10675	1.9
206.07370	0.5
207.08202	0.9
207.11766	0.5
215.56372	0.5
217.10184	1.2
217.12164	0.7
220.08813	0.4
221.09608	0.7
231.03279	0.9
232.96738	0.5
235.11165	2.5
235.13348	1.8
235.16185	0.4
239.10825	0.6
245.09618	1.9
263.10620	4.3
269.10248	0.5
295.09790	0.5
295.13235	8.2
296.13831	0.6
309.13419	0.5
309.16965	0.8
327.04874	1.0
327.08417	1.1
327.16031	5.5
328.05981	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.01860	22.0
55.05502	31.6
57.03428	7.3
57.07055	6.7
67.05498	65.1
69.03420	10.8
69.07056	38.0
69.82228	29.5
71.04982	10.9
79.05489	47.4
81.07047	100.0
83.04965	11.0
83.08615	19.5
91.05484	36.1
93.07042	49.4
95.04961	14.9
95.08596	55.2
97.06526	31.3
97.10175	5.8
97.78554	5.4
98.20813	7.6
103.53961	5.1
105.07041	39.0
107.08606	33.9
109.06520	22.2
109.10151	28.7
111.08079	10.1
117.07014	18.8
119.08561	41.3
121.06554	7.5
121.10171	27.9
123.08092	11.0
123.11694	5.1
125.09634	12.7
131.08556	19.4
133.10143	35.2
134.99652	5.8
135.08025	8.8
135.11693	17.9
137.09558	7.1
139.11150	7.6
145.10150	16.8
147.11656	26.4
149.09604	12.4
149.13246	8.6
151.11159	9.7
157.10014	6.1
159.11694	17.0
163.11153	13.2
165.12772	11.1
169.10054	6.7
169.61168	5.7
173.13301	11.6
175.11150	10.4
177.12656	6.6
183.11783	6.4
204.19794	5.4
205.73746	5.4
217.93234	5.7
247.20621	11.0
257.18948	8.6
263.20074	21.9
265.21588	7.3
275.20053	82.2
283.12167	12.2
289.21533	8.9
293.21121	22.3
295.22720	8.8
307.22729	7.9
325.13470	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	326.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70409	0.4
52.45901	0.3
56.96557	0.9
58.83670	0.4
60.04501	0.5
62.82207	0.3
66.54191	0.4
68.49637	0.3
69.03417	0.4
69.07081	0.4
69.75468	2.4
69.87797	0.4
70.06588	2.5
72.08155	0.5
81.04546	0.4
83.06085	0.4
83.87380	0.4
84.04500	1.1
84.08123	1.7
85.02882	1.2
86.09694	1.3
97.02864	0.7
98.21418	0.4
98.98457	19.5
99.04427	0.5
107.57188	0.4
110.07130	1.3
116.98592	0.4
116.99473	1.1
120.08110	1.2
122.07150	0.5
124.05061	5.4
129.10194	0.4
136.06166	2.4
136.07538	0.5
142.06085	2.1
146.06015	0.4
146.09665	0.7
146.99635	0.5
147.04407	0.4
149.04610	0.9
151.09793	0.6
164.10654	0.7
164.12778	0.8
167.04353	0.6
167.05646	4.7
174.99200	2.6
179.08057	0.8
194.10359	100.0
194.23820	0.4
195.10753	1.4
201.00645	0.7
211.68349	0.3
213.12344	0.6
237.02798	0.4
326.12241	0.5
326.17508	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	325.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43442	4.2
55.01855	17.6
55.05513	32.5
56.96554	5.7
57.07063	5.5
65.03925	6.6
67.05502	73.5
69.03413	8.6
69.07071	42.4
69.61252	31.8
71.04987	8.7
71.08611	5.2
73.06558	5.1
79.05488	46.2
80.04789	4.7
81.03402	5.6
81.07055	100.0
83.04980	8.9
83.08636	21.9
91.05479	43.3
93.07050	60.5
95.04983	23.7
95.08607	50.8
97.06523	30.3
97.10175	7.3
105.07019	47.8
107.04923	5.5
107.08586	40.1
109.05872	4.6
109.06499	26.2
109.10140	25.5
111.08062	15.0
117.06998	12.2
119.08586	36.7
121.06491	7.2
121.10158	30.8
123.08035	15.3
123.11724	9.0
123.71764	5.1
125.09592	13.8
125.64384	4.7
131.08545	16.4
133.10115	34.5
135.08044	9.4
135.11708	16.4
137.09605	12.6
143.08539	4.9
145.10097	16.8
147.11685	28.3
149.09587	13.6
149.13284	5.0
153.12683	6.9
159.11644	9.4
161.09813	4.5
163.11154	17.9
165.12698	10.7
173.13222	5.0
175.11176	9.0
177.12759	7.0
183.11650	5.4
187.11087	8.8
223.13383	6.1
235.17072	5.6
239.18021	10.1
247.20592	8.8
257.18930	18.1
263.20020	24.0
275.20081	69.3
293.21182	21.4
295.22681	6.5
299.32727	4.6
307.22614	33.6
325.21219	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	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01868	12.3
55.05507	33.9
57.03423	4.5
57.07059	8.3
67.05501	63.2
69.03404	3.6
69.07066	30.9
69.90175	11.0
71.04996	4.7
71.08624	7.7
79.05486	32.8
81.03416	6.5
81.07050	57.3
83.04971	11.1
83.08614	25.0
83.37422	2.7
85.02893	4.4
85.06528	4.1
85.10213	6.5
91.05476	23.3
93.07037	38.9
95.04954	18.2
95.08597	37.5
95.84932	2.9
97.02864	4.4
97.06527	11.5
97.10144	15.5
99.04441	3.1
105.07020	24.5
105.45173	2.7
107.04936	8.8
107.08578	32.1
108.68504	2.5
109.06513	7.9
109.10167	27.3
111.04435	9.9
111.08072	5.7
113.09642	9.4
117.07001	8.2
119.08559	19.0
121.06514	10.5
121.10120	19.7
123.08101	6.1
123.11702	9.3
125.09626	12.2
131.08572	10.1
133.06532	3.9
133.10117	33.5
135.08060	8.5
135.11697	16.4
137.09608	14.3
141.09129	3.5
145.10103	13.9
147.11697	8.8
149.09631	10.9
149.13184	3.7
151.11179	27.9
153.09161	2.8
155.10748	3.1
157.10144	3.7
159.11734	7.8
161.09540	5.3
161.13242	3.3
163.11162	11.9
165.09084	3.8
167.10542	3.0
169.12248	4.0
171.11766	3.2
173.13260	6.8
179.10712	5.1
181.12230	8.9
183.13914	6.4
187.14871	3.2
191.14297	3.0
195.13744	5.0
201.12892	3.0
209.15375	4.3
239.17885	3.4
247.20662	14.6
257.19028	11.8
265.21625	10.9
275.20074	51.2
279.23459	3.1
286.60159	2.7
293.21091	100.0
307.22614	13.5
325.23886	16.9
325.27258	4.9
326.59293	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	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01865	14.6
55.05308	4.9
55.05513	63.8
57.03418	19.3
57.07060	22.9
62.84493	5.1
63.53542	5.5
63.84193	5.5
65.03875	6.0
66.37901	6.3
67.05499	83.5
69.07064	78.0
69.88128	30.7
69.95343	5.1
71.04990	8.4
71.08624	24.5
79.05476	53.3
81.03400	12.1
81.07052	91.8
83.04977	19.5
83.08620	51.2
84.29716	5.3
85.02893	13.6
85.06559	12.9
91.05473	40.3
93.07034	55.9
95.04971	36.0
95.08593	73.4
97.06507	16.4
97.10148	25.1
99.08075	14.7
105.07022	33.8
107.04955	11.6
107.08588	48.1
109.06519	14.8
109.10140	59.7
111.08094	10.0
111.11659	5.2
113.09662	11.7
117.06985	15.4
119.08566	25.7
119.45193	5.0
121.06466	14.8
121.10126	24.7
121.10921	5.2
123.08052	13.4
123.11700	19.9
125.09615	13.0
131.08574	22.4
133.10112	62.4
135.08037	8.0
135.11685	22.5
137.09595	16.9
139.11166	6.2
141.09070	6.5
145.10129	18.6
147.11649	8.1
149.09608	12.8
149.13254	11.6
151.11166	73.2
159.11658	13.6
161.09418	5.7
163.11128	12.5
165.12695	6.3
167.99144	5.5
177.12691	10.4
179.10677	7.2
181.12283	15.2
183.11664	8.7
183.13785	23.3
195.13773	5.9
207.13721	7.8
228.08313	6.3
247.20616	20.0
257.18909	16.2
265.21597	14.9
275.20023	77.9
293.21106	100.0
295.74948	5.7
296.10095	6.0
307.22644	22.3
325.24060	12.4
325.27249	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2157
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03955	5.3
55.01855	7.7
55.05496	18.1
56.96544	5.4
57.03417	5.7
57.07053	6.8
59.04997	6.2
65.03912	4.9
67.05502	28.3
69.03412	5.9
69.07054	17.2
70.22063	13.1
70.22473	11.0
79.05479	36.1
81.03402	7.6
81.07049	44.7
83.04993	7.5
83.08627	5.5
86.90451	3.8
91.05475	27.4
93.07037	35.7
95.04953	53.8
95.08600	30.8
97.06532	24.9
97.10157	4.7
105.07019	70.8
106.07345	18.8
107.04899	7.9
107.08581	25.4
109.06491	15.9
109.10159	14.4
111.08089	4.4
117.07019	11.9
119.08558	32.4
121.06490	13.2
121.10130	22.5
123.08047	10.3
128.06201	7.6
129.06985	17.4
130.07750	4.8
131.08508	23.0
133.06471	18.7
133.10112	17.2
134.06812	7.4
135.08040	35.3
136.08368	18.4
141.06967	5.9
142.07770	19.2
143.08563	30.1
145.06448	5.3
145.10106	29.4
147.08022	10.7
147.11736	10.3
149.09570	5.4
151.07552	5.1
154.07768	5.9
155.08554	13.7
156.09286	9.8
157.10115	37.4
159.08052	7.3
159.11688	13.3
161.09596	8.6
163.11113	7.3
165.07005	9.5
166.07787	4.8
167.08588	10.1
169.10097	17.2
170.10951	4.8
171.11691	12.7
173.13246	12.3
179.08557	14.9
180.09329	6.6
181.10135	17.0
182.10905	9.4
183.11682	15.1
185.09642	21.1
185.13129	6.4
187.14793	4.3
188.52960	4.0
191.08661	4.3
193.10124	21.3
194.10777	8.7
195.11655	19.4
197.13248	15.1
199.11159	8.9
199.14824	5.2
201.12756	5.8
205.10068	5.0
206.10889	7.3
207.11644	23.4
208.12473	6.0
209.13275	20.7
211.14790	8.2
213.12859	4.3
218.10890	8.2
219.11647	8.6
221.13194	10.4
222.10474	5.2
223.14801	16.7
225.12660	6.3
227.14310	10.7
233.13205	11.3
233.15347	6.8
235.14703	5.0
237.16263	6.3
239.14168	7.7
249.16476	6.8
251.14305	19.2
256.65289	4.4
260.15369	5.7
261.18445	6.1
263.17905	8.1
265.15683	4.6
269.15460	6.7
279.21072	6.5
280.18103	17.4
289.19427	5.4
307.20605	40.4
311.43793	5.6
325.21579	100.0
326.22098	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	325.2007
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03937	7.3
53.92204	5.6
55.01861	12.4
55.05510	25.3
56.96545	5.4
57.03431	25.7
57.07069	8.7
59.06503	4.8
65.03936	6.3
66.10643	5.1
67.05502	69.8
69.03415	15.6
69.07046	23.0
70.20792	22.7
71.04963	14.5
72.05309	5.0
72.08144	7.5
79.05492	57.7
79.66580	4.5
81.03407	28.8
81.07063	57.9
83.04969	25.7
83.08608	15.1
84.08107	7.1
85.06510	7.5
88.87389	7.0
91.05482	40.7
93.07047	56.3
95.04942	29.9
95.08602	38.4
97.06527	100.0
97.10168	11.0
105.07029	47.8
107.04922	21.3
107.08588	34.5
109.06519	20.5
109.10172	40.5
111.04422	15.3
111.08072	14.7
113.06023	9.9
115.07592	5.1
116.13907	5.0
117.06992	17.1
119.08564	31.8
121.06520	15.0
121.10113	13.8
123.08036	17.3
123.11726	5.6
125.06021	6.4
125.09602	12.2
128.83362	5.2
129.06964	8.8
131.08559	23.6
133.06467	7.7
133.10126	43.3
135.08022	15.3
135.11655	16.6
137.05946	7.1
137.09579	9.6
141.06961	6.3
143.08519	8.4
145.06497	12.4
145.10101	17.6
147.08099	7.8
147.11700	9.4
149.09656	10.3
151.11195	14.1
155.08517	9.0
157.10121	14.4
159.08012	15.7
159.11696	17.8
161.09563	10.2
167.03384	13.0
169.10155	12.1
177.12706	9.2
179.08653	7.2
181.10175	7.0
183.11714	7.6
187.11174	14.3
187.14810	6.2
189.11102	6.1
195.13754	7.8
197.13220	5.7
233.15332	12.5
241.14352	13.9
243.17230	5.8
261.18445	11.8
271.10129	5.6
271.16922	18.7
275.19934	9.5
289.17972	58.4
307.19116	18.5
325.14301	10.1
325.20837	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	325.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	24.5
55.01865	17.8
55.05507	57.2
57.03429	12.2
65.52953	8.9
67.05513	100.0
69.07051	33.6
70.07898	9.2
71.04983	35.5
71.60416	14.0
78.63898	10.4
79.05483	77.7
80.28614	10.0
81.03410	37.1
81.05184	9.9
81.07056	82.4
83.04966	76.4
83.08614	19.2
91.05492	81.3
93.07036	60.7
95.04948	45.5
95.08608	64.2
97.06513	44.2
97.10143	24.7
105.07025	55.8
107.04923	31.1
107.08604	50.1
109.06496	26.8
109.10169	37.6
111.04472	15.6
116.98605	14.5
117.07014	19.2
119.08578	41.7
121.06498	9.6
121.10135	27.7
123.04454	9.7
123.08070	23.5
125.06008	22.0
125.09632	13.7
129.07072	10.9
131.08571	32.9
133.10106	28.4
134.07201	10.3
135.08034	17.8
135.11699	20.5
143.08546	14.3
145.10068	29.5
147.08125	11.7
147.11707	24.8
157.10138	14.9
159.08084	11.6
159.11649	20.1
159.75114	9.3
161.09615	15.5
161.13220	13.5
163.11171	19.0
169.10150	14.7
171.11630	19.0
177.12683	10.1
181.90472	10.4
183.11703	17.4
195.11694	15.6
205.15834	13.4
207.11871	12.7
209.13170	12.4
233.15427	25.0
261.18436	24.8
271.16776	18.0
289.17929	90.1
307.19110	18.0
325.21323	37.6
330.91745	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	325.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.9
54.08275	5.0
55.01867	34.9
55.05506	40.8
56.96555	7.3
57.03440	28.9
57.07058	6.6
58.79007	4.4
63.04573	4.6
63.13627	4.7
63.60033	4.4
65.03944	5.2
67.05502	100.0
69.03428	9.8
69.07050	28.1
70.06589	5.3
71.01355	5.6
72.08157	35.3
72.89839	4.2
79.02950	5.0
79.05482	79.7
79.93903	4.4
81.03404	18.8
81.07048	93.4
83.04977	27.3
83.08605	12.9
85.02906	6.4
85.06538	7.2
87.28349	4.4
91.05472	67.2
93.07042	58.0
95.04964	67.2
95.08598	42.7
97.06535	11.9
97.10149	10.4
105.07034	66.1
107.04951	86.6
107.08599	38.4
108.05729	11.2
109.06528	50.3
109.10146	34.6
110.07283	6.8
111.04437	5.3
111.08066	5.9
113.06046	7.5
113.06800	5.0
115.05412	6.7
117.07017	26.7
119.08589	36.3
121.06496	19.2
121.09261	4.8
121.10132	19.7
122.07272	32.2
123.04431	7.1
123.08082	8.9
123.11755	6.4
125.05966	9.0
125.09608	13.5
129.06978	14.8
131.08519	25.3
133.06445	23.4
133.10133	18.5
135.08073	26.8
135.11662	16.1
136.08368	7.1
137.09608	40.7
143.08525	11.0
145.06473	16.9
145.10144	21.1
147.08051	29.7
147.11703	10.1
149.09625	5.9
149.13170	5.1
155.08546	10.9
157.10104	7.6
159.08020	9.0
159.11662	9.3
160.73384	5.0
161.09621	19.3
163.11244	8.4
165.09154	6.3
169.10161	6.6
171.11566	6.3
173.13231	13.5
175.11115	5.7
187.14821	13.4
189.11229	7.2
189.12723	8.8
189.35689	5.0
193.10475	5.8
197.13237	12.9
215.14282	13.6
233.15317	73.6
251.16469	14.0
290.18753	16.0
311.43900	5.7
325.21381	6.5
341.77710	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	325.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	27.7
55.01865	18.6
55.05507	47.0
56.96555	11.6
57.03425	35.7
57.07046	8.8
67.05495	96.2
69.03429	20.4
69.07075	46.2
71.04974	11.6
71.60578	17.4
78.18388	7.5
79.05483	64.7
81.03394	49.2
81.07050	85.1
83.04980	50.0
83.08600	23.7
85.02919	10.7
85.06528	16.4
91.05463	75.8
93.07040	90.6
95.01351	7.3
95.04963	35.2
95.08601	62.8
97.06515	100.0
97.10143	21.9
99.08086	8.4
105.07003	69.0
107.04937	44.5
107.08577	61.4
109.06499	34.0
109.10133	52.2
111.04438	31.2
111.08067	18.8
117.07005	32.2
119.08549	43.6
121.06506	28.4
121.10134	27.7
123.04417	13.2
123.08084	42.9
123.11658	10.4
125.06015	10.5
129.07051	13.3
131.08568	35.7
133.10138	42.5
135.08070	24.9
135.11723	15.6
137.06070	10.2
142.07784	10.4
143.08507	22.0
145.06488	16.2
145.10107	24.4
147.11653	13.6
149.09641	17.1
155.08546	17.3
157.10109	20.0
159.08080	21.2
159.11687	29.8
161.13252	9.3
163.11224	9.4
167.03445	10.9
169.10172	12.3
173.09561	9.0
173.13313	10.1
177.12715	16.7
183.11697	16.0
187.11191	26.2
193.10153	10.7
195.08223	8.5
195.11685	8.9
195.13768	10.8
197.13301	16.4
205.12250	9.2
209.13319	10.0
213.16415	9.0
223.14868	8.6
233.15388	23.6
241.14333	33.8
261.18463	9.0
271.16891	17.5
275.20203	8.9
289.17981	84.6
301.94339	10.6
307.19067	24.9
311.44061	10.8
325.14438	13.4
325.21774	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
56.05013	0.2
56.96556	1.2
57.03448	0.2
61.02926	0.7
69.03416	0.8
70.06581	1.0
71.19858	0.6
72.08132	0.4
73.02912	0.5
80.04999	0.3
81.03368	0.4
83.06087	0.3
84.04510	0.4
84.08135	1.4
85.02894	1.5
86.09707	0.3
91.05470	0.9
97.02890	0.6
98.97551	0.5
101.02340	0.3
105.06980	0.2
107.04890	0.3
107.40377	0.2
110.07169	0.6
116.98614	0.5
117.05727	0.4
118.06539	4.3
119.02000	0.2
120.08106	0.3
122.07158	0.4
127.03903	2.3
129.10277	0.3
132.95941	0.3
133.07596	4.7
134.99690	0.3
136.07611	0.3
145.07596	100.0
146.08397	1.8
146.99625	0.4
147.09195	0.7
149.01190	0.4
151.04909	0.4
152.05698	0.5
153.06456	0.8
163.03290	1.0
163.05014	3.8
163.08653	63.0
164.09035	0.7
164.10753	0.4
165.11075	0.3
166.07277	0.3
193.08388	1.3
201.00679	0.7
219.01746	0.3
237.02794	0.3
325.13916	70.7
326.14124	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	325.1391
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03935	1.4
55.01862	1.5
55.05511	0.9
56.05019	0.7
56.96557	0.8
57.03438	4.9
57.30556	0.5
57.66749	0.6
61.02918	2.7
67.05509	0.7
69.03087	0.7
69.03427	9.8
69.07065	1.0
70.06589	5.1
70.14532	2.8
71.01333	1.2
71.04630	0.6
71.04980	2.8
72.08147	1.6
73.02902	2.0
75.04474	1.1
79.05476	1.1
81.03400	2.8
81.07058	0.9
84.04492	1.5
84.08131	4.0
85.02917	0.7
86.09694	4.1
91.05471	2.7
93.07030	1.3
95.04951	0.8
95.08653	0.7
97.02878	1.3
98.21478	0.6
99.04442	1.9
103.05445	0.7
105.07005	0.7
107.04969	0.8
107.08566	2.2
110.07183	1.3
112.08714	0.6
112.46605	0.5
115.13769	0.6
118.06525	1.5
119.04930	1.2
119.08519	0.9
120.08081	2.5
121.10117	0.8
123.04440	0.6
127.03868	0.6
129.10213	1.0
130.04982	1.6
130.06590	0.7
130.08607	0.7
132.06841	1.8
133.02794	1.4
135.08038	3.4
136.07588	1.0
139.41998	0.6
144.08086	0.7
145.07602	10.0
146.08417	1.0
147.04430	3.1
147.09161	92.1
148.09512	0.7
151.03865	0.6
152.14354	0.9
153.09096	1.0
159.09201	3.0
160.09952	1.1
161.10780	1.0
163.03896	1.2
163.07555	1.6
164.06950	0.6
173.07101	1.3
177.00742	0.7
185.10748	0.7
189.10202	0.8
191.08144	100.0
192.08514	1.2
205.06465	0.8
207.75461	0.6
233.05878	0.8
245.19099	0.6
250.06039	0.8
251.06987	0.6
263.13885	2.7
279.06586	0.6
281.14951	48.2
282.15414	1.2
289.11621	0.9
292.06964	0.6
300.71362	0.6
307.09567	0.7
307.12802	9.1
308.13068	0.7
325.13916	76.3
326.14157	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01876	1.8
55.05495	0.3
57.03431	2.9
61.02916	1.1
69.03423	15.8
70.06576	1.1
70.21119	1.0
71.01331	1.0
71.04987	5.1
72.08121	0.5
73.02898	0.7
75.04459	0.4
79.05487	0.3
81.03411	17.2
81.07049	0.3
83.04990	0.3
84.04489	0.4
84.08115	0.8
85.02894	0.4
85.08196	0.2
86.09686	0.6
87.04439	0.3
87.76863	0.2
91.04973	0.3
91.05464	1.6
93.07030	0.8
95.04971	0.4
95.08558	0.3
97.02877	0.5
97.06509	0.4
99.03826	0.4
99.04445	6.4
105.07032	0.5
107.08598	1.5
109.02818	0.3
110.07079	0.3
112.08714	0.3
116.04946	0.8
117.05507	1.6
118.06540	6.4
119.08601	0.3
120.08054	0.7
121.10145	0.3
122.32693	0.2
123.08099	0.2
129.10272	0.5
133.02838	0.5
134.05948	0.3
135.08044	1.1
135.09018	0.3
137.05957	0.3
137.07860	0.4
145.06563	0.3
145.07597	7.7
145.08766	0.5
147.09160	9.8
148.06271	0.4
149.02335	0.3
159.09152	0.3
161.07103	0.4
162.07896	0.9
163.03876	2.7
163.07489	0.4
163.08665	1.1
173.07091	12.2
175.08664	5.8
181.08556	0.3
181.89310	0.2
185.07115	0.3
187.08653	0.3
191.08138	100.0
192.08447	0.7
203.08136	0.4
205.09709	0.8
213.10213	0.3
215.11783	0.4
225.10251	0.3
231.11348	0.5
233.09181	1.4
265.08594	0.3
271.10791	0.6
281.14917	0.7
289.11765	1.7
307.12854	27.8
308.12921	0.5
325.13907	20.5
326.13632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.1
57.03431	8.2
59.04982	1.1
61.02917	1.9
69.03415	3.4
69.04540	1.4
70.04075	1.5
70.06570	2.5
70.42862	3.2
71.01328	1.7
73.02902	5.3
84.05619	2.6
84.08138	2.6
85.02903	6.8
96.05590	6.3
97.02879	3.2
98.03539	9.4
108.04314	1.1
108.05592	1.8
109.05109	1.8
113.04587	1.9
115.03912	4.7
121.05097	16.8
122.03481	1.8
123.06654	3.6
124.05022	1.8
125.04571	3.9
125.06975	13.3
126.05380	16.5
126.07778	1.9
127.06141	3.4
133.04935	6.1
136.05125	2.3
136.06169	31.5
137.04541	1.9
137.07036	1.6
138.07719	4.9
143.05606	1.6
145.07573	2.4
148.06172	29.0
149.04602	9.0
150.07768	6.1
151.06148	7.8
151.07199	1.7
152.05641	4.3
153.06435	12.8
154.07243	3.5
160.06189	2.0
164.05711	1.6
165.08813	14.1
166.07237	10.5
175.07236	4.4
176.05659	19.3
177.08803	2.5
177.86552	1.2
178.07268	2.1
193.08316	100.0
194.06830	2.5
194.08598	1.2
204.08772	1.4
228.65927	1.3
235.09334	1.8
247.10191	1.3
257.08774	1.4
266.08856	2.0
297.13043	2.7
307.11560	3.4
325.12500	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	325.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.0
53.03931	1.3
55.01855	4.0
55.05497	3.7
56.96566	1.8
57.03417	1.2
57.07067	1.6
60.04510	1.1
65.52307	0.6
67.05503	5.7
69.03415	2.6
69.07050	4.6
69.52458	6.3
70.06577	3.1
71.04984	2.1
72.08163	1.3
79.05497	5.4
81.03400	4.0
81.07046	8.9
83.04971	2.0
83.08602	1.7
85.02895	15.9
85.06516	0.7
86.09695	1.0
91.05467	8.1
93.07027	6.3
95.04958	2.3
95.08025	1.0
95.08597	7.6
97.02863	1.6
97.06493	3.3
97.10152	1.7
99.04492	1.0
103.05431	1.4
105.03407	0.7
105.06999	4.6
107.04951	22.4
107.08575	7.5
109.02904	1.1
109.06481	1.6
109.10139	6.3
110.07150	1.2
111.04420	1.9
111.08041	2.2
113.02357	92.4
115.05420	5.1
116.98561	0.9
117.06963	1.5
119.04942	3.8
119.08552	2.8
121.02841	8.0
121.06468	1.1
121.10114	4.1
122.03637	1.1
123.04457	0.9
123.08081	1.2
123.11691	2.1
125.06009	0.9
125.09599	1.0
129.07010	1.1
131.04930	4.1
131.08585	1.6
133.02817	2.8
133.06485	1.0
133.10098	2.2
135.04420	1.2
135.08060	3.7
135.11691	3.8
136.07579	0.9
137.05972	5.6
137.09627	0.9
137.13187	0.7
139.11163	1.2
141.06943	1.6
143.04898	1.3
144.05699	6.5
145.06462	2.3
145.10092	1.4
147.04388	5.1
147.08095	1.7
147.11664	1.1
149.13266	1.2
151.07568	2.1
153.07042	1.0
153.09058	1.0
159.11636	1.2
161.05988	3.0
163.03902	5.8
163.07559	2.9
163.11153	1.5
165.05627	0.8
165.06960	4.1
166.07736	4.9
167.08560	1.8
169.06448	1.0
171.04395	2.3
173.52898	0.9
175.03798	0.8
175.07561	4.2
176.06113	1.0
177.06932	1.6
179.08539	0.7
181.06436	4.5
181.10045	4.2
183.08098	1.0
189.06985	2.3
190.07732	6.9
191.08534	22.3
192.09178	1.0
194.07253	13.2
195.08076	4.5
197.06012	1.0
199.03906	1.1
201.05420	1.7
201.07182	0.8
202.07780	2.6
205.06400	4.6
207.08078	1.7
209.09590	18.7
210.06648	1.0
212.08252	1.9
212.58002	0.8
218.07236	8.0
219.08037	31.8
220.08784	5.8
221.05957	1.1
222.06746	2.6
223.07516	27.0
229.07509	3.3
231.08012	2.3
233.05995	1.4
235.05389	0.7
235.07436	4.3
236.08287	5.9
237.09081	99.9
238.09430	2.3
239.07207	1.3
243.08974	0.8
243.59059	1.3
247.07513	29.8
248.08287	4.2
249.09055	1.2
250.06271	3.6
251.07065	2.9
251.11136	1.0
251.80872	0.9
254.36366	0.8
257.55283	0.9
264.07785	1.2
265.08575	53.7
266.09048	1.9
269.12329	3.4
275.07040	2.4
280.30954	0.9
281.07816	1.2
293.08069	24.0
293.11258	1.3
297.11288	1.3
307.09790	1.5
307.15292	1.2
311.08978	2.7
325.10663	37.5
325.16171	100.0
326.11008	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	324.1954
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03942	0.6
61.10129	0.3
67.05500	0.6
69.07071	0.5
69.53146	1.9
72.93766	0.4
77.03913	0.4
79.05486	20.5
80.05814	0.3
81.07059	0.3
91.05475	0.7
93.07047	1.7
95.04964	1.9
97.06532	0.3
103.05461	39.8
104.05800	0.4
105.07011	2.7
107.04948	19.5
109.66604	0.2
118.05707	0.4
118.06537	5.7
118.07336	0.5
121.06506	1.1
131.04918	12.8
131.08719	0.3
132.08087	2.5
133.08850	1.2
134.09604	0.7
134.99651	0.2
146.09593	2.3
147.13901	0.3
149.05966	0.7
160.11189	1.0
176.14337	49.5
177.14691	1.1
178.10316	0.3
189.15062	0.4
207.88318	0.3
208.83835	0.3
218.11760	0.2
233.14047	0.4
265.05316	0.3
274.16031	0.3
280.13116	0.4
283.06317	1.4
301.07278	0.7
324.19547	100.0
325.19888	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2166
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01871	0.5
55.05499	1.0
57.07067	0.5
63.15019	0.2
65.03923	0.6
67.05497	3.5
69.03403	0.3
69.07060	9.7
70.27509	1.0
72.08150	0.6
77.86693	0.3
79.05486	4.0
81.03432	0.4
81.07046	7.4
83.04972	3.1
83.08614	0.5
86.09695	100.0
87.10016	0.5
91.05470	8.9
93.07033	12.3
95.04952	2.6
95.08591	2.1
97.06522	0.9
98.21432	0.3
105.07019	15.3
107.04948	0.6
107.08579	3.3
109.06506	10.1
109.07251	0.6
109.10171	1.5
111.08071	2.9
116.12801	0.3
117.07005	0.5
119.08572	4.0
121.06478	0.5
121.10125	1.1
123.08057	1.2
123.11654	0.7
128.10710	5.2
129.06978	0.5
131.08548	3.7
132.10187	30.1
133.06491	1.5
133.10112	18.2
135.08098	0.3
137.05925	0.3
142.07733	0.4
145.10138	0.5
147.08026	0.3
147.11670	13.4
149.09578	1.6
149.13246	1.1
151.07559	2.5
151.11162	41.1
152.11545	0.5
156.10202	1.5
157.10092	0.7
165.12749	1.8
167.14227	0.4
167.47647	0.3
174.11212	0.4
175.11136	3.9
192.13808	0.3
193.12222	4.3
210.14847	0.8
222.14877	1.3
225.81815	0.3
260.20041	6.5
260.22577	0.5
278.21124	28.2
283.06189	1.7
301.07062	0.6
306.20569	4.5
324.21649	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	324.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.05018	1.9
56.96560	1.3
58.06612	0.8
60.04516	2.8
67.05513	0.7
68.05032	1.0
69.03448	0.8
69.07059	1.4
70.06586	100.0
71.59093	1.1
72.08153	5.1
73.08474	0.7
74.06076	4.2
79.05470	0.8
81.07055	1.0
84.04505	2.5
84.08135	6.4
85.02901	1.6
86.06052	0.9
86.09703	3.6
87.05576	1.2
91.05487	2.1
93.07064	0.9
95.04984	0.9
97.02901	0.7
97.06505	0.7
98.06044	16.1
98.06660	1.0
102.05572	0.7
103.05480	0.7
107.04956	1.8
108.05299	0.7
109.02883	0.7
110.07164	2.0
118.38331	0.6
119.04945	2.1
119.08556	0.6
120.01176	1.2
120.05277	0.8
120.08093	10.6
126.05517	13.0
127.03910	0.9
127.07624	0.7
129.10269	2.7
130.08629	36.0
131.08138	5.4
135.11678	0.6
136.07578	1.6
147.04417	4.4
148.04768	2.5
156.59370	0.6
159.07628	3.4
162.05475	1.3
162.09187	1.7
163.03922	2.9
166.08611	5.8
167.11868	2.3
185.04259	1.0
185.19916	0.8
193.09770	0.6
195.11288	9.3
216.98045	0.9
218.05280	0.9
223.10864	1.0
227.13881	39.6
228.14290	1.2
306.13818	0.7
324.10641	4.4
324.19150	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	324.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	5.1
56.96529	1.9
57.03432	1.9
58.06589	2.4
60.04511	6.9
61.02908	1.5
69.04537	5.8
69.07044	1.3
70.04066	1.8
70.06581	8.9
70.77887	3.0
70.78236	2.2
72.08130	2.4
72.93759	2.1
74.06070	36.0
78.04183	1.3
84.04478	6.1
84.08134	8.4
85.02898	2.6
86.06059	15.1
86.09682	4.1
88.03976	1.6
91.05475	3.2
93.07024	2.0
96.04487	10.3
99.08096	1.6
102.05467	1.7
103.05441	5.4
106.06548	1.5
107.04944	2.7
108.04902	1.5
110.07172	2.1
113.07112	18.1
119.04893	1.6
120.08086	100.0
121.08392	2.2
127.03857	1.7
129.10196	3.0
131.04875	1.6
131.08150	20.3
136.07605	1.7
141.06596	2.3
144.08073	2.9
147.04364	1.6
159.07651	18.6
162.05479	18.9
162.09116	5.7
163.03873	5.1
164.12442	1.5
166.08620	34.0
167.08890	1.4
177.10234	4.5
207.11304	13.2
235.10654	3.1
240.90898	1.3
246.86432	1.3
253.11823	1.9
267.13373	1.6
306.14444	5.5
324.14368	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	324.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22659	0.4
53.72636	0.4
55.01855	0.7
55.05499	1.8
56.05050	0.7
56.96552	0.6
57.03430	0.5
57.98790	1.1
58.99580	7.1
63.92090	0.5
67.05486	1.7
69.03418	1.1
69.07062	12.9
69.80125	2.4
70.06586	3.6
71.04990	0.7
72.04485	0.5
72.08147	11.6
73.06552	1.9
74.06095	0.7
74.81886	0.4
79.05475	3.8
81.03403	1.5
81.07039	1.7
82.06593	0.7
83.06129	0.5
84.04498	1.4
84.08125	2.4
84.77782	0.4
85.02886	1.1
86.09705	2.4
91.05473	13.0
93.07034	1.3
94.06580	0.5
95.04957	1.4
95.08604	1.0
96.08115	0.9
97.06518	3.1
103.05470	0.6
105.07027	0.9
107.04950	1.2
107.08625	1.1
110.07098	0.8
115.07580	1.2
118.06478	0.6
119.04934	13.9
119.08596	0.5
120.08057	2.6
121.03996	1.7
121.06516	0.5
123.04423	5.8
124.07593	0.6
125.05965	0.7
129.10228	1.2
133.02846	0.7
134.06027	0.8
135.08057	0.8
136.07565	100.0
137.05942	0.8
137.07935	1.4
138.05487	1.8
143.07040	6.3
147.04393	2.8
147.09169	0.8
153.06036	0.9
154.04973	2.0
155.08151	0.8
158.06361	2.8
161.08075	2.0
162.02461	4.4
162.05449	2.4
163.03212	20.4
164.04041	0.6
165.05431	7.7
179.02716	17.8
180.03548	2.6
182.08118	9.8
183.07674	0.7
183.97574	0.5
191.08186	1.5
193.06137	0.6
211.07225	0.6
224.04884	0.7
225.03296	5.1
237.65283	0.5
242.11816	0.8
260.12817	12.2
266.12070	3.0
278.09579	18.8
278.13876	16.7
282.11603	1.1
288.12103	1.1
296.15915	0.7
306.13312	2.0
324.10126	19.3
324.13809	1.2
324.16489	1.6
324.21948	0.5
325.10455	1.3
325.13919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30661	0.6
53.03931	1.4
55.01851	1.3
55.05507	3.8
55.93518	3.3
55.98452	0.6
56.94296	2.7
56.96566	3.3
57.03426	1.5
57.07080	0.7
67.05505	4.2
69.03419	2.5
69.07065	4.4
70.03764	0.8
70.06573	1.9
70.95860	5.0
71.04973	2.1
71.60124	0.8
72.08137	1.3
72.85892	0.7
72.93396	0.9
72.93786	14.9
79.05488	3.8
81.03404	6.5
81.07049	8.7
82.06594	0.6
83.04965	2.1
84.08121	0.8
85.02873	1.7
85.06529	1.6
86.09694	2.0
88.96880	3.0
89.94073	0.8
90.94822	10.8
91.05482	5.0
93.07030	4.5
95.04936	2.5
95.08580	4.6
96.08917	1.1
97.02888	1.7
97.06524	2.1
97.10162	1.8
98.97559	1.7
105.07027	5.6
107.04940	1.9
107.08572	3.7
108.22536	0.7
108.95884	4.1
109.00056	0.7
109.02866	1.0
109.06512	1.0
109.10111	1.4
111.04420	1.0
113.96386	1.4
115.05392	1.2
116.96347	1.6
116.98585	2.9
117.06989	1.2
118.94261	0.9
119.04921	1.2
119.08618	1.7
119.09576	0.7
121.10133	1.5
122.10499	0.7
123.08063	1.1
123.11685	1.3
124.12082	0.7
125.09607	0.9
126.98412	2.2
128.96356	4.9
130.97896	2.3
133.02863	2.0
133.10120	1.1
134.97342	1.8
135.08049	1.3
135.11688	1.3
136.07518	0.7
136.95316	1.5
137.05956	2.6
138.98404	2.9
140.96268	1.3
142.97906	2.9
143.08508	1.2
144.95876	1.0
144.99458	1.7
145.10086	1.0
146.97382	3.2
147.04343	1.0
148.97972	0.7
148.98955	3.7
149.01266	1.2
150.96927	1.3
150.98407	2.1
151.02032	1.1
151.11197	2.0
154.97926	3.7
156.99448	1.8
158.99767	0.9
159.01044	1.8
160.98933	1.6
161.01186	0.9
161.05986	0.9
161.09415	0.7
162.06282	0.9
162.96890	2.3
163.00563	0.9
163.03914	2.2
164.99965	3.2
166.97891	3.8
168.99483	1.6
170.97350	2.2
171.00946	0.9
172.98975	6.2
175.00569	1.1
175.02037	0.8
177.00682	1.3
178.97874	2.0
179.01465	0.8
180.99376	2.2
182.97408	1.0
183.01039	2.6
184.98927	3.9
186.01227	2.3
187.00511	2.5
189.03619	3.2
192.99408	2.7
193.03241	0.9
196.98877	1.3
197.02580	0.9
199.00453	1.4
199.02066	2.9
201.02077	1.8
201.03647	0.9
201.36655	0.7
202.99991	1.2
203.08296	0.8
207.00952	3.3
209.02583	1.5
211.00549	1.1
213.02061	1.1
217.03152	1.2
219.01270	1.1
219.04694	1.7
220.98920	1.1
223.00508	0.9
227.03624	2.5
233.02525	1.2
237.05704	1.7
239.03592	1.1
244.09514	1.4
247.04153	1.3
249.08508	0.8
263.03641	0.8
265.05209	21.5
265.08228	1.0
266.05536	1.1
283.06253	100.0
284.06598	5.6
292.10483	1.6
293.08060	1.0
301.07315	19.4
302.07654	1.2
306.07806	11.1
324.05606	1.0
324.09024	2.4
324.15140	20.9
324.21558	14.6
325.07098	1.1
325.10916	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	323.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01867	5.7
55.05505	51.8
56.96553	8.0
57.03427	6.0
57.07072	8.5
59.05004	1.7
61.62366	1.5
67.05499	27.9
69.03413	9.3
69.07060	72.1
69.75042	7.1
69.75455	2.9
70.06573	4.8
71.04979	6.8
71.08622	3.1
72.08137	2.5
73.06549	2.4
73.17560	1.5
79.05472	16.1
81.03421	5.8
81.07048	70.6
82.07388	2.4
83.04977	10.1
83.08600	11.6
84.08147	2.1
85.02875	4.3
85.06539	10.2
91.05459	12.4
93.07033	42.4
95.04961	9.7
95.08599	81.9
96.08949	2.1
97.02883	5.6
97.06518	12.7
97.10159	87.3
98.10469	1.9
98.97558	3.2
99.04449	2.2
99.08102	4.0
105.07020	17.1
107.04958	1.9
107.08585	32.8
109.02860	2.5
109.06516	6.6
109.10145	29.7
111.04425	1.9
111.08070	16.1
111.11705	15.8
115.03969	1.9
115.11172	2.3
116.98595	3.2
117.07001	3.3
119.04932	3.9
119.08585	12.4
121.06479	1.5
121.10118	25.9
123.08050	3.8
123.11695	36.3
125.09605	14.6
127.03917	1.6
127.07536	1.6
127.11186	1.5
129.99535	1.5
130.32034	1.4
131.04895	2.8
131.08537	4.1
133.06459	3.4
133.10115	10.7
134.99664	2.7
135.08011	2.1
135.11693	15.6
136.07542	2.3
136.12035	1.7
137.05956	13.7
137.09602	4.3
137.13245	7.7
139.11162	38.0
143.03400	2.2
143.08562	1.9
143.10652	28.5
145.10132	5.0
147.04381	10.6
147.08005	1.5
147.11676	8.9
149.01236	1.5
149.06021	2.8
149.09641	2.7
149.12152	2.3
149.13246	20.8
150.09094	2.0
151.11165	3.5
153.12737	6.5
157.10161	2.6
157.12215	32.9
159.11681	3.6
161.05969	14.0
161.09651	2.6
161.13220	5.2
163.11220	2.6
163.14792	5.2
165.05489	1.5
165.12785	3.2
167.03580	2.2
167.10744	1.8
167.14232	1.7
168.02637	1.7
168.76678	1.6
171.10188	1.6
171.11697	2.9
173.13264	2.9
175.14832	3.1
177.05490	2.9
177.16461	1.5
179.03555	1.4
179.10612	1.4
179.14218	2.0
185.13255	2.3
189.03943	2.5
189.05486	2.4
189.11209	5.4
189.16315	2.0
194.11946	1.4
195.03064	2.7
195.17554	1.6
197.74033	1.4
199.07571	4.3
201.12733	1.5
201.16408	2.9
202.07695	4.6
203.08614	10.4
203.12732	3.9
203.17949	2.4
206.15463	1.7
212.24509	1.5
213.16400	2.0
217.04883	3.2
219.08041	4.7
220.08705	2.7
221.02379	2.3
221.09526	1.6
223.02504	3.6
230.07281	1.6
231.08011	9.9
233.09641	1.9
235.02603	19.2
247.07574	2.0
248.08363	7.6
249.01768	3.1
249.08855	2.0
249.18561	2.2
250.14337	1.9
251.03287	2.6
259.07590	6.1
259.24399	1.5
260.08328	4.2
263.10687	9.2
263.23615	3.1
264.02917	2.2
269.01019	1.6
276.07727	5.0
277.08572	4.1
277.25244	4.8
278.12988	1.3
279.02899	9.0
279.86111	1.6
283.06265	3.0
287.23672	4.5
291.10144	18.4
292.10794	3.5
294.05109	5.8
295.06131	2.2
295.09390	2.3
305.24692	26.6
308.10483	2.8
309.02655	33.0
323.05118	4.3
323.09286	3.5
323.12704	21.4
323.18158	1.4
323.20123	1.8
323.25851	24.9
324.04993	100.0
324.13187	3.0
324.21667	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01867	13.8
55.05506	42.6
57.03415	7.3
57.07054	2.6
65.03934	3.3
67.05496	67.1
68.99785	2.4
69.03409	7.8
69.06712	2.3
69.07059	26.5
69.89061	7.0
69.89473	3.5
71.04974	5.1
71.48337	1.6
72.06567	1.5
73.06562	2.5
79.05486	54.2
81.03418	3.8
81.07048	76.5
82.07403	1.8
83.01322	5.8
83.04975	27.6
83.08608	16.5
83.14799	1.4
85.06525	7.4
89.26194	1.9
91.05470	55.2
93.03391	1.7
93.07037	64.0
95.04961	19.4
95.08038	3.1
95.08595	39.2
97.02882	4.1
97.06517	11.1
97.10160	6.9
103.05451	2.1
105.07022	48.7
107.04942	15.4
107.08579	36.7
109.02841	1.9
109.06525	18.3
109.10148	38.6
111.04440	11.6
111.08058	15.7
115.05462	2.5
115.07582	1.6
117.07005	12.2
119.08570	27.4
121.06479	18.0
121.10155	16.4
123.04404	5.1
123.08044	6.9
123.11710	9.4
125.05968	3.8
125.09627	3.0
128.06236	3.8
129.06978	10.6
131.08537	18.7
133.06491	15.3
133.10117	73.7
135.08067	10.0
135.11693	14.9
137.05969	5.6
137.09616	7.8
139.07521	13.0
139.11169	3.0
141.09085	1.9
143.08525	10.8
145.06427	2.9
145.10080	14.8
147.08025	17.0
147.11670	14.0
149.09636	11.4
149.13264	3.3
151.07521	4.3
151.11169	57.4
153.09055	2.0
157.10095	6.6
159.08052	3.3
159.11639	8.5
161.09595	18.1
161.13232	6.6
161.20609	1.8
163.07448	2.2
163.11183	7.1
165.09099	5.7
165.12772	2.6
167.10643	3.6
169.10120	3.6
171.11676	9.4
173.09596	2.6
173.13225	3.9
175.11148	6.9
177.09084	5.5
177.12703	4.2
179.10649	7.0
179.14217	2.0
181.08543	4.0
181.09996	2.1
183.13791	22.3
185.09669	2.0
185.13217	5.3
187.11203	3.5
189.12692	6.6
193.12279	2.1
195.11627	2.0
199.11142	3.8
203.14291	5.8
207.13806	6.4
213.12762	2.2
217.12187	5.1
217.19453	2.7
223.13289	3.0
227.17960	3.8
229.14325	1.7
235.13281	1.9
245.18979	19.1
245.86215	1.8
255.17369	5.1
263.20050	23.3
273.18475	43.0
277.21487	2.6
291.19507	100.0
305.21140	9.5
323.22284	36.0
323.26312	3.0
328.61710	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	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.8
55.01870	16.3
55.05503	42.6
57.03427	10.1
59.04997	3.5
65.03918	4.1
65.35238	3.0
66.81692	3.5
67.05499	74.5
69.03417	7.8
69.07061	28.2
69.18404	3.6
71.52302	5.2
71.52616	3.6
79.05483	57.6
81.03435	6.9
81.07053	100.0
83.01344	8.1
83.04977	51.9
83.08627	21.2
85.02855	3.7
85.06496	8.5
89.51614	3.1
91.05473	58.4
93.07043	63.2
95.04964	20.5
95.08591	39.6
97.06505	12.3
97.10114	7.1
105.07023	50.2
107.04934	12.4
107.08579	46.6
109.06489	15.0
109.10149	55.9
111.04431	12.7
111.08070	15.2
117.07002	10.3
119.08544	21.7
121.06511	19.3
121.10132	15.6
123.08049	10.7
123.11695	15.8
125.05960	4.2
128.06154	3.6
129.06989	8.8
131.08554	20.6
133.06480	19.0
133.10124	84.8
135.08014	12.2
135.11688	12.1
137.09601	4.8
139.07545	13.6
143.08543	7.7
145.10114	13.2
147.08025	13.0
147.11671	6.5
149.09572	12.8
151.11157	84.0
151.12323	5.5
155.08472	4.8
157.10109	7.8
159.07970	5.0
159.11703	8.7
161.09613	15.0
161.13318	5.0
165.09091	5.3
169.10022	3.8
171.11697	11.1
173.09639	5.5
175.11139	9.9
177.09105	10.8
177.12788	4.6
179.10629	12.3
183.13776	25.3
189.12750	6.0
203.14137	5.0
203.17868	4.4
227.17784	5.3
229.14357	4.7
239.27171	3.3
245.19032	20.4
255.17490	5.6
263.20090	20.9
273.18478	39.4
291.19501	78.4
305.21112	15.2
323.22104	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93341	1.8
55.01877	4.8
55.05503	25.4
62.06085	31.7
63.06405	3.1
67.05511	16.7
68.05871	2.0
69.03435	4.8
69.07063	17.4
70.58138	6.9
77.14324	2.1
79.05489	18.3
81.03422	2.7
81.07059	18.1
83.04968	3.9
83.08625	15.2
89.57867	2.0
91.05488	11.2
91.53094	1.8
93.07031	14.9
95.04967	5.5
95.08612	12.0
96.65238	2.2
97.02866	2.6
97.10167	22.9
105.07028	10.4
107.04918	2.8
107.08588	12.3
109.10125	4.9
117.07002	5.1
119.08553	7.9
121.06474	3.5
121.10123	4.5
123.08025	5.4
125.09622	18.2
131.08589	4.0
135.08051	4.1
135.11670	3.3
143.08543	3.0
144.69293	2.1
145.10114	5.7
147.08081	2.5
153.09128	4.2
159.11714	2.0
165.09123	2.2
185.32962	2.5
194.28638	2.3
203.12730	10.4
223.13290	11.6
237.14696	3.0
255.17369	2.9
273.18396	10.3
291.19528	100.0
305.21127	24.5
323.22092	5.7
323.27737	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	18.2
57.03420	19.8
57.07071	13.6
67.05511	69.9
69.07056	18.4
70.86784	7.0
71.60869	11.8
73.35371	6.3
74.27610	6.9
79.05502	37.6
81.03410	9.5
81.07061	100.0
83.04968	7.6
85.06549	17.1
89.45886	6.9
91.05469	33.3
93.07049	38.9
95.04971	39.1
95.08610	35.3
97.06506	8.2
105.07036	23.4
106.84008	7.3
107.08588	23.1
109.06529	64.0
109.10136	19.9
111.08060	8.1
113.06031	53.7
117.06998	16.1
119.08575	21.1
121.10071	8.9
129.06970	9.7
131.08568	24.6
133.10152	13.2
135.08038	32.1
135.11649	16.5
137.09637	8.7
143.08545	9.0
144.71964	7.1
145.10081	12.1
145.58522	6.9
149.13240	9.1
159.11748	9.0
166.04150	10.0
168.16739	7.3
171.11774	8.6
173.13228	7.5
239.56364	6.6
255.17487	8.4
260.14566	7.9
273.18362	19.0
288.39417	7.4
291.19376	42.3
305.21249	13.3
333.93155	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	15.1
55.01874	14.1
55.05508	27.7
56.96586	2.1
57.03438	10.8
57.07071	2.0
65.03931	2.4
65.11455	1.8
67.05501	52.3
69.03423	2.4
69.07063	18.1
69.52946	14.3
71.04989	12.6
73.06599	2.3
75.15563	1.8
79.05489	50.0
81.03412	33.3
81.07053	100.0
83.04983	13.4
83.08619	18.3
85.06540	8.7
91.05472	34.0
93.07036	52.4
95.04973	23.4
95.08599	44.9
97.02898	1.9
97.06520	11.1
97.10162	17.8
98.97583	2.3
99.08088	6.5
103.05477	2.9
105.07028	27.4
107.04942	26.8
107.08585	27.8
109.06508	31.0
109.10133	12.3
111.04430	4.9
111.08096	8.9
113.05984	2.7
115.05454	2.4
117.07018	19.3
119.04942	4.2
119.08595	15.9
121.06516	9.8
121.10133	12.1
123.04424	3.9
123.08070	25.3
123.11685	2.2
125.09584	12.3
128.06197	3.1
129.07010	6.7
131.08537	18.6
133.06480	6.0
133.10150	14.7
134.99652	2.5
135.08044	20.3
135.11667	26.3
137.06013	2.4
137.09604	7.0
141.06908	4.6
143.08548	5.4
145.06508	8.4
145.10085	13.9
147.08047	8.3
147.11732	3.0
149.09601	7.8
149.13263	15.0
151.11147	2.5
153.09097	4.4
153.12791	4.0
157.10115	8.9
159.08136	2.5
159.10405	3.8
159.11655	28.9
161.09616	4.8
163.11156	21.0
165.09148	7.1
169.10139	8.3
171.11662	3.7
175.11046	3.1
175.14821	2.3
177.12747	28.5
181.12216	3.3
183.11749	5.0
185.13228	4.8
187.11160	12.7
191.10699	2.9
193.12297	8.0
199.14838	3.0
201.12706	4.0
203.12732	2.8
205.12280	8.2
209.15437	6.9
217.15833	8.0
221.15317	4.9
223.13181	2.9
227.12776	3.3
227.17839	2.3
233.15436	2.3
245.18991	4.9
255.17476	2.3
258.99872	2.4
273.18488	29.5
277.00830	3.5
291.10107	3.4
291.19522	32.6
305.17670	4.6
305.21078	50.3
323.05350	2.1
323.14728	3.9
323.18658	3.2
323.22208	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	323.2214
Annotation	Rapanone
Peak:m/z	Relative Intensity
52.73491	0.8
55.01867	5.7
55.04782	0.8
55.05503	4.8
57.03435	29.6
65.03935	1.5
67.05501	24.3
69.07050	3.0
70.06947	4.3
71.04966	3.5
72.11083	0.9
79.05484	10.5
81.03394	1.5
81.07054	13.5
83.04970	2.7
83.08593	2.8
85.06539	29.0
90.54248	0.8
91.05487	8.9
93.07046	9.2
95.04967	36.1
95.08598	6.1
97.06509	2.5
97.10162	1.9
105.07009	8.5
105.21269	0.8
107.04939	2.9
107.08608	7.2
109.06509	26.4
109.10151	2.4
111.04436	4.7
111.08087	2.3
113.05998	100.0
114.44043	0.8
117.07004	5.1
119.08591	5.8
121.06497	1.5
121.10146	3.3
123.08051	2.8
129.07004	2.6
131.08574	6.0
132.43800	0.8
133.06505	1.1
133.10114	3.6
135.08047	21.3
135.11676	3.6
137.09566	1.0
137.36636	0.8
143.08534	3.8
145.10132	6.8
147.08009	2.8
149.09596	3.1
153.12698	1.7
157.10127	2.8
159.07973	1.3
159.11702	3.0
161.09605	4.0
163.11140	3.3
171.11725	1.1
175.11194	1.3
177.12741	1.3
181.12172	2.5
183.11633	1.2
185.13382	1.2
191.10696	1.3
199.14850	1.7
201.12775	1.5
209.13356	1.0
217.15923	7.4
219.13969	1.2
227.12772	3.1
233.15257	1.0
245.19095	1.1
255.17519	1.6
273.18466	14.4
291.19531	42.9
305.21072	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	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69470	9.0
53.03908	11.5
55.01668	7.8
55.01873	92.0
55.05498	37.7
56.96555	37.1
62.31151	7.2
67.05502	98.7
69.07066	68.4
69.97628	7.2
71.04984	21.5
71.60495	16.0
79.05494	75.9
81.07066	63.2
82.90192	7.2
83.05018	12.4
83.08599	13.0
85.06506	13.0
91.05470	100.0
93.07034	75.0
95.04948	28.6
95.08593	66.7
97.06525	76.4
97.10143	10.5
98.97578	35.9
99.08083	16.4
105.07008	55.1
107.04941	44.3
107.08582	37.4
109.06538	22.8
109.10160	40.9
111.08076	16.1
116.98631	60.0
117.07013	20.9
119.08582	62.1
121.06530	16.5
121.10152	26.4
123.08101	14.3
125.09610	11.3
129.07037	8.9
131.00140	8.5
131.08514	25.8
133.06422	8.0
133.10112	36.0
134.99660	92.0
135.08051	18.6
135.11676	12.4
137.05937	13.3
137.09586	38.2
138.32292	7.4
139.07480	12.2
143.08562	12.9
145.10115	19.0
147.08078	7.8
147.11673	22.8
149.09610	17.5
149.13248	14.6
153.00693	17.5
157.10156	10.3
161.09647	17.3
162.19797	9.7
169.10089	13.0
173.11702	33.4
173.94696	7.7
175.11183	18.3
175.25546	7.8
206.54791	7.6
211.13274	22.8
227.17909	14.0
245.94737	8.9
253.14407	43.2
273.18512	64.8
277.00754	14.1
291.09998	12.9
291.19489	24.2
305.12399	10.0
305.20929	14.0
323.12723	11.2
323.22223	74.1
324.09006	83.5
324.12460	11.7
342.09979	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
55.01862	1.2
55.05494	1.6
56.96584	0.6
57.03428	0.8
65.03951	1.0
67.05499	19.0
69.03432	2.4
69.07052	3.4
70.06582	1.7
71.04993	2.1
71.14899	0.8
78.62975	0.5
79.05484	2.1
79.73177	0.4
80.29832	0.5
81.03396	0.6
81.07051	5.8
83.04979	1.0
83.08636	0.4
84.08147	0.8
85.06536	1.2
86.09701	0.5
91.05480	3.4
93.07045	5.3
94.06561	21.0
95.04957	2.8
95.08598	5.7
96.08104	0.8
97.02900	0.5
97.06540	3.1
97.10207	0.6
103.05476	0.5
105.07009	2.3
107.04952	0.5
107.08593	2.5
108.04404	0.5
108.08145	2.2
109.06526	1.0
109.10151	2.5
110.06000	0.5
111.08085	1.1
113.05992	1.3
116.98555	0.6
117.06992	0.5
117.16396	0.5
119.04937	1.4
119.08571	1.6
121.06510	1.4
121.10143	1.9
122.06021	100.0
123.06355	0.5
123.08076	0.6
123.11707	1.9
124.07560	1.8
125.09639	1.5
131.08563	0.7
133.10098	1.4
135.11691	1.1
136.07553	6.4
137.05995	2.3
137.25668	0.4
138.09158	3.4
139.07545	2.4
139.11165	1.4
140.07071	1.6
141.05458	1.0
143.08563	0.6
145.10068	0.6
147.04411	1.3
147.08040	0.6
147.11703	1.0
149.09625	0.5
149.13327	0.5
151.11163	1.0
151.47975	0.5
155.08714	0.5
159.11685	1.0
161.05957	2.6
164.07059	12.9
165.05551	1.0
165.07060	0.6
166.08630	8.0
167.07040	3.4
168.06548	1.0
177.05560	0.7
180.06631	0.5
180.97774	0.4
182.08144	4.7
184.09689	10.1
185.08105	0.9
187.11240	0.7
200.10629	0.6
202.07787	0.7
203.08455	0.9
204.13770	1.2
214.12314	1.1
215.10686	1.9
231.08046	1.9
232.13287	2.9
242.11737	0.9
243.10161	1.0
248.08376	1.2
259.07477	1.1
260.12842	5.4
260.16537	0.9
263.10669	1.5
270.11218	1.3
271.09747	0.8
276.07834	1.1
287.13773	1.3
288.12283	17.4
291.10056	3.1
292.10812	0.7
303.23373	0.5
305.14969	3.0
305.24734	1.4
306.13361	14.1
323.12732	3.7
323.16022	1.6
323.25763	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	323.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01862	1.0
55.05508	4.7
56.96555	2.0
57.03432	1.1
57.07066	1.1
57.72538	0.5
61.02953	0.4
64.74885	0.4
67.05503	4.6
69.03427	2.2
69.07066	6.8
69.43821	2.8
69.44240	0.9
70.06590	1.3
70.95834	0.4
70.97357	0.5
71.04984	1.2
72.08140	0.8
72.93803	1.1
79.05489	3.9
81.03413	1.7
81.07058	9.8
83.04972	1.8
83.08606	2.7
84.08132	0.7
85.02899	0.7
85.06544	1.1
90.94821	0.8
91.05476	2.3
93.07053	6.3
95.04967	1.6
95.08034	0.8
95.08602	9.1
97.02876	1.5
97.06523	2.5
97.10178	4.4
98.97583	0.9
99.08126	0.7
105.07026	4.1
107.08569	5.0
109.02864	0.5
109.06525	1.3
109.10155	4.2
111.04424	0.5
111.08087	1.8
111.11681	0.9
115.05429	0.7
116.98619	0.9
117.06995	0.7
119.08601	2.4
121.06538	0.5
121.10143	3.6
123.08068	1.1
123.11715	3.2
125.09641	1.4
128.98573	0.6
131.08517	0.7
133.06427	0.7
133.10124	2.6
135.11685	1.7
137.05945	3.2
137.09590	0.6
137.13252	1.7
139.11203	2.3
143.08556	0.7
143.10660	0.7
145.10143	0.9
146.97432	0.5
147.11696	1.5
149.09648	1.2
149.13284	1.6
151.11227	0.6
153.12715	0.6
157.10201	0.7
157.12248	1.4
159.11682	0.7
161.01280	0.6
161.06009	2.1
161.09622	1.0
161.13271	0.6
163.04013	0.5
163.18359	0.4
165.12746	0.4
173.13385	0.6
175.11198	0.5
175.14832	0.6
177.16562	0.6
184.99031	0.6
189.12743	0.7
199.07578	1.0
201.16461	0.5
202.07733	1.1
203.08606	2.0
215.06357	0.6
220.08856	0.7
231.08147	2.7
248.08371	1.2
249.11137	0.7
259.07602	2.0
260.08163	0.8
263.10754	1.4
264.05670	0.6
265.05270	1.7
265.07980	0.5
276.07700	0.8
277.08578	0.6
282.06631	1.5
283.06210	7.8
287.23721	0.7
291.10165	4.1
292.10815	0.8
301.07504	0.9
305.24872	2.3
306.07983	0.9
323.14716	100.0
323.18085	5.2
323.25974	2.1
323.69638	0.5
324.15039	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	323.1274
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01854	1.7
55.05511	5.8
56.96554	1.2
57.03410	1.7
57.07070	1.2
67.05198	1.0
67.05505	8.9
69.03444	5.0
69.07063	6.5
69.11729	1.0
70.06567	2.2
71.04990	1.9
71.59604	1.1
79.05482	6.8
80.60400	1.0
81.03397	3.2
81.07055	19.5
83.04964	4.3
83.08606	1.6
84.08150	1.2
85.02895	2.1
85.06521	4.0
86.09676	1.3
91.05471	6.6
93.07040	10.4
94.04169	3.2
95.04930	3.3
95.08601	11.5
97.06506	3.5
97.10194	1.2
99.89872	0.9
101.05997	1.2
103.05426	2.9
105.07027	15.1
107.04926	2.0
107.08598	7.3
109.02837	2.1
109.06508	6.2
109.10157	8.5
111.08091	6.5
115.05442	3.4
116.98578	1.3
117.06977	1.3
119.08545	3.7
121.06481	2.3
121.10151	6.2
122.03645	4.8
123.08005	2.3
123.11675	4.7
125.09601	5.2
126.88013	1.1
128.06213	2.0
130.07774	1.0
131.04897	2.0
131.08548	1.8
133.06471	6.7
133.10110	3.3
135.11711	3.6
137.05969	57.3
137.13251	1.3
139.05469	1.2
139.11180	3.2
145.06415	1.2
145.10138	1.8
146.03600	10.7
147.04381	2.3
147.11644	2.9
149.01135	1.0
149.05904	1.6
149.13223	3.9
151.11197	1.4
153.12750	1.8
157.06459	1.2
159.11731	1.1
159.90103	1.2
160.31500	1.1
161.05974	100.0
161.13220	1.9
162.06462	1.8
165.06972	1.4
167.04761	1.2
169.02528	1.1
171.08023	1.6
175.07623	1.5
175.14807	1.5
184.05142	2.3
184.13841	1.1
187.07591	1.6
189.06993	2.2
190.07858	1.1
191.08490	5.8
192.09308	2.0
193.15681	1.0
199.07542	14.4
202.07751	23.6
202.09488	2.1
203.08540	37.8
204.09088	2.5
205.06531	3.8
205.09982	1.2
207.08116	1.6
215.08626	1.6
219.08014	14.5
220.08798	14.9
221.09488	1.3
230.07301	5.1
231.08032	58.1
232.08698	7.9
232.79391	1.3
233.06001	2.0
233.09497	1.3
234.06728	2.2
235.07550	2.2
235.11151	2.9
237.09111	1.9
241.06470	1.3
245.09537	2.4
247.07532	11.4
248.08310	28.5
249.08934	4.9
258.06769	4.3
259.07553	46.2
259.10297	2.6
260.08316	21.7
261.09070	2.6
262.09903	2.3
263.06775	1.8
263.07486	1.9
263.10672	27.2
265.08618	3.2
273.09100	1.7
275.07043	5.6
276.07809	21.4
277.08655	8.4
277.11453	1.6
280.10873	1.6
287.23459	2.0
291.10132	82.7
292.10818	10.1
293.07959	6.7
295.09903	1.5
295.13287	4.5
299.43524	1.1
305.11456	1.2
305.14651	1.5
305.24780	2.9
307.09454	1.3
308.10452	9.3
323.12744	99.9
323.25870	3.1
324.13062	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	323.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
55.05500	4.8
56.05029	6.7
57.03435	4.0
58.94593	3.5
60.04522	8.5
61.02911	6.7
69.03425	20.0
69.83537	18.2
70.06588	59.1
70.92441	3.8
70.95831	4.0
71.06924	6.3
72.08138	29.7
72.91333	4.2
72.93768	4.9
73.02885	5.2
74.06069	4.8
75.86695	3.7
81.03417	8.4
83.04985	4.9
83.06079	4.6
84.04498	14.2
84.08132	50.4
85.02895	35.7
86.09700	54.2
90.94787	4.6
91.05465	15.8
95.04969	6.3
97.02902	11.8
97.62087	4.2
99.04436	4.2
100.07634	4.0
107.04962	25.3
110.07124	18.7
116.07075	9.0
119.04954	25.2
120.08061	5.8
121.02882	4.1
123.08052	4.3
124.69421	4.0
124.99605	3.8
126.05482	5.6
127.03908	5.8
129.10219	24.1
130.05104	3.8
131.04910	6.0
133.06491	6.6
136.07561	5.3
147.03244	5.7
147.04401	89.1
149.05994	7.2
161.00870	7.2
161.02103	60.4
161.05943	12.7
162.05475	9.5
162.96977	4.3
164.06946	5.0
164.98523	5.9
185.04201	90.5
189.05453	12.8
199.03943	5.1
202.78346	3.9
203.05199	27.4
217.04938	16.3
221.02876	4.4
245.83658	4.3
262.11221	4.2
263.05524	14.6
263.10364	4.5
291.10339	4.2
305.11212	7.6
323.07397	100.0
323.11853	15.1
323.15924	9.1
323.19586	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	323.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.2
56.96291	2.4
56.96561	41.0
57.03424	1.6
59.21717	1.0
61.02904	1.1
63.11639	0.9
67.76840	1.0
69.03423	3.1
69.40508	6.3
69.40929	3.3
70.06575	2.4
70.98109	4.7
71.95277	1.6
72.08129	1.1
73.02901	2.2
74.97613	2.6
84.08144	2.0
84.96017	2.2
85.02880	4.8
88.99158	3.5
93.17441	0.9
97.02886	2.6
98.21487	2.0
98.97579	10.2
100.99159	1.5
101.00879	1.9
110.97555	1.5
112.99124	47.6
116.98598	8.1
119.00201	2.7
119.01969	5.6
121.01656	3.2
127.03905	3.2
128.98624	3.9
131.00163	100.0
133.01672	3.1
133.03458	5.4
134.99646	5.2
135.03203	4.0
139.02644	1.5
143.01932	1.2
144.98079	6.2
145.03416	1.2
146.99620	4.1
147.03221	1.6
147.04323	2.8
148.97586	1.8
149.01216	86.5
150.01587	1.4
150.99147	3.0
151.04506	1.7
154.01738	1.6
155.01981	1.3
157.03508	1.9
158.99701	2.2
159.03233	1.8
161.01202	2.2
161.02968	3.2
161.04643	1.9
162.99115	11.5
163.02803	1.9
165.00691	1.7
167.02251	11.2
169.00104	1.1
171.04985	1.5
172.02820	2.0
173.02902	1.4
175.02760	12.2
175.04340	2.6
177.00668	2.9
177.04248	1.4
179.00093	1.3
179.02087	1.4
181.00224	3.8
187.02672	1.5
188.96985	2.4
189.00658	2.7
191.02206	1.6
193.00267	2.1
193.03836	29.1
196.52661	1.1
199.01302	1.2
200.04234	1.2
201.04259	1.2
202.98512	1.4
203.02231	1.3
203.04010	1.8
205.00140	3.9
205.03824	2.8
211.04889	27.9
216.05391	1.3
219.01784	1.7
219.05389	3.0
220.06976	2.3
220.99725	2.5
221.03247	2.5
223.01257	9.1
223.04739	2.8
223.06612	2.0
230.98160	1.8
232.53876	1.2
233.06900	1.9
235.04871	48.9
237.02831	3.4
241.02399	1.5
241.05806	1.9
247.04903	13.0
249.02795	2.3
251.04744	1.1
253.05930	24.1
263.00729	2.3
263.04178	1.2
265.05792	4.5
276.07590	1.7
277.09625	5.3
281.01776	2.9
281.05441	5.9
281.08844	1.5
291.03763	3.8
293.08704	1.1
296.95804	1.1
299.02795	1.3
305.05389	4.0
305.09048	2.8
309.04990	1.2
323.06409	26.3
323.09854	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	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.3
55.93846	0.5
56.93823	0.6
57.07085	0.9
60.04515	1.2
62.06086	100.0
67.05499	15.9
69.07055	4.5
71.05982	1.0
79.05484	11.4
81.07052	18.6
83.08598	3.5
83.99491	0.7
85.06552	0.6
91.05474	5.8
93.07043	13.5
95.04975	1.7
95.08598	13.6
95.09158	1.0
97.10188	2.0
105.07024	4.8
107.08585	7.6
109.10152	6.8
117.07021	1.5
119.08597	2.9
121.10147	4.7
123.11721	2.8
125.09641	2.6
129.01013	0.7
131.08597	2.3
133.10153	2.4
135.11681	3.8
136.77351	0.7
137.09572	1.0
137.13251	1.0
145.10132	1.7
147.11739	1.6
149.09682	0.7
149.13286	2.2
159.11708	1.3
161.13361	1.1
163.11153	0.7
163.14857	1.0
173.13329	1.6
177.16406	1.5
179.14499	0.7
186.14998	0.9
187.14888	1.4
200.16466	1.2
214.17995	0.9
230.56346	0.6
232.21262	0.7
242.69864	0.7
243.21173	2.4
261.22055	3.6
291.19501	5.7
291.21869	0.5
304.26141	3.2
305.21591	1.3
305.24893	2.0
322.27399	12.6
322.30960	0.9
323.22040	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	322.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05508	12.5
56.05013	1.6
56.96561	0.9
57.05804	1.7
67.05492	1.8
69.03427	0.7
69.07055	1.4
70.06229	0.9
70.06584	7.0
71.04990	0.7
71.36521	1.1
72.08150	100.0
72.93797	1.0
73.08484	0.9
74.06061	0.5
79.05487	1.0
81.03406	0.7
81.07047	0.8
82.06614	0.5
84.04497	1.1
84.08133	4.3
85.02900	1.4
86.09701	6.0
88.03982	0.6
90.94808	0.5
91.05493	2.1
93.07068	1.3
94.06569	0.6
95.04978	0.8
95.08623	0.6
97.02899	1.0
97.06528	1.0
98.97544	0.5
103.05470	2.0
105.07008	1.4
107.04980	0.9
107.08592	0.9
108.04459	0.6
109.06510	0.6
110.06033	1.0
110.07174	1.1
112.08721	0.6
115.05393	0.9
116.07081	1.2
116.98624	0.9
119.04951	1.1
119.74743	0.5
120.08097	47.9
121.08461	1.4
122.06004	0.7
129.10243	6.5
130.06551	0.7
131.04913	1.0
131.08594	0.6
133.06480	1.2
133.10127	0.7
136.07590	2.7
137.05997	1.7
138.09166	0.8
145.10127	0.5
147.04414	2.9
149.05977	0.8
150.05466	0.5
150.50540	0.5
152.07080	0.5
154.97894	2.4
157.09720	11.4
157.10918	0.8
161.05946	3.4
164.07094	1.8
164.98547	0.6
165.07347	0.5
166.08624	30.8
167.08992	1.0
168.99275	0.6
172.98972	3.7
174.09044	0.5
175.11852	0.5
177.10251	6.0
202.07657	0.8
203.06865	0.6
203.08597	1.7
205.09738	0.9
215.00063	0.7
219.08214	0.8
223.10768	22.3
224.11111	0.7
231.07980	2.4
233.01067	1.0
248.08472	1.5
249.05614	0.6
259.07523	2.7
263.10785	1.8
265.27399	0.5
276.07819	0.9
277.15527	1.7
281.04785	1.6
281.07852	0.6
291.10123	5.9
299.05838	2.2
304.13632	1.5
322.17691	0.6
323.05533	1.1
323.12704	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	321.9925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.7
63.56279	0.2
69.95409	1.0
82.99850	0.2
85.56865	0.2
88.63764	0.2
89.81654	0.2
98.97569	3.0
116.98615	3.9
119.01913	1.7
122.97761	0.3
132.34781	0.2
134.99657	4.1
137.02963	0.9
142.03558	0.3
153.00732	1.0
158.99879	0.4
159.19545	0.2
164.98828	0.2
177.00941	12.6
178.00983	0.7
182.99820	1.4
193.01854	0.2
194.98376	0.4
195.02007	0.3
200.02606	0.2
201.00899	4.3
202.00960	0.4
214.92038	0.2
214.95557	0.3
216.98651	0.4
218.03590	0.6
219.01991	100.0
220.02100	5.7
221.02376	0.7
224.02594	0.3
230.93349	0.3
232.93033	0.7
232.96675	0.2
233.03648	0.2
234.99716	1.1
236.00038	0.3
236.99474	2.0
237.03038	0.4
238.95581	0.5
242.03577	5.1
243.03769	0.3
248.94252	0.3
250.94110	0.5
256.96616	7.9
257.96674	0.7
258.96353	0.3
258.99841	0.6
260.04703	0.8
261.00357	0.2
261.02994	1.0
262.03192	0.3
262.95575	0.4
265.05011	0.2
272.94482	0.6
274.94153	1.9
274.97662	3.3
275.97638	0.2
276.95636	0.2
277.00720	1.4
278.01047	0.5
279.00616	0.3
279.98199	1.2
280.93991	0.2
280.96515	1.0
283.00082	0.2
288.92123	0.3
290.95456	0.6
292.95102	1.4
297.99243	0.8
298.97659	32.8
299.05362	0.7
299.97693	1.8
303.98062	0.3
314.96005	0.2
316.95105	0.7
316.98721	0.9
317.46567	0.2
317.95023	0.4
321.99240	3.7
322.99323	0.3
325.42487	0.3
325.92316	0.3
326.95502	0.3
328.44315	0.8
328.94312	0.7
329.44418	0.3
334.42908	0.2
334.92606	0.7
334.96332	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	321.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83101	0.9
53.03939	3.0
55.01860	4.0
55.05504	10.4
56.03626	1.0
56.96561	10.3
57.03432	3.3
65.03935	1.1
67.05501	5.8
69.03430	9.6
69.07059	7.5
69.26799	6.4
69.27222	3.9
70.06577	1.6
71.04980	2.5
73.02909	3.4
79.05499	7.1
81.03419	6.7
81.07055	13.2
83.04982	2.8
83.08631	1.7
84.96021	3.8
85.02901	8.7
85.06527	1.6
86.09701	91.5
87.10034	1.8
91.05466	4.8
91.92686	1.0
93.07036	10.7
95.04972	4.9
95.08601	10.7
97.02889	7.5
97.06514	6.2
97.10162	13.8
98.21532	2.1
98.97588	5.5
99.04457	2.2
99.08093	1.8
103.05464	5.1
105.07012	8.2
107.04936	2.0
107.08585	11.1
109.02885	3.9
109.06519	3.9
109.10165	7.8
110.97554	1.2
111.27792	0.8
116.98633	7.4
119.08571	6.0
120.08099	100.0
121.08425	2.0
121.10114	5.0
123.08071	2.1
123.11704	4.2
125.09635	4.2
127.03900	4.6
127.07582	1.3
127.11152	1.9
128.10706	46.5
128.98592	1.4
129.06985	1.0
131.04953	1.5
131.08583	2.1
132.95840	1.5
133.10141	4.8
134.99648	8.0
135.08089	2.0
135.11668	3.7
137.05896	0.9
137.09624	1.6
137.13191	1.1
139.11168	1.8
143.00063	1.1
143.10666	5.7
145.10135	2.6
146.99672	2.3
147.04430	1.3
147.11702	4.7
149.05943	2.0
149.09563	1.0
149.13264	1.5
150.96915	1.5
151.11215	2.8
153.00699	1.6
153.01808	9.6
155.10703	1.2
156.10172	10.8
158.99702	1.7
159.11713	2.6
161.01283	1.5
161.13229	1.8
163.11177	2.2
163.14758	1.0
165.09096	1.0
165.12752	3.7
166.08632	56.7
167.09052	1.4
167.10715	1.4
173.01138	1.5
173.13275	1.2
174.51080	1.2
174.96883	1.9
175.14784	1.3
177.00671	4.5
177.12811	1.3
183.37700	1.0
187.05936	1.1
187.14742	1.5
188.50940	1.2
189.00693	1.7
197.51337	4.9
200.99135	1.0
201.00560	4.5
217.15898	1.2
219.01819	1.0
231.01703	1.2
237.04236	5.6
237.54367	1.6
242.52075	1.5
243.01869	1.2
246.04700	2.8
251.52501	2.2
272.52988	4.8
281.53455	3.9
285.21927	1.8
302.03894	1.7
303.05048	1.1
303.23184	5.5
321.06335	0.9
321.10556	1.5
321.24188	7.0
322.25864	2.7
337.89352	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	321.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
58.44950	0.4
63.16170	0.4
64.14749	0.5
65.03930	0.7
67.05499	10.8
69.07041	0.8
79.05470	0.8
81.07066	0.6
91.05495	1.2
93.07028	1.3
94.06561	10.0
95.04951	0.9
97.06554	0.8
98.20738	0.7
107.25667	0.6
108.08099	1.2
121.10096	0.6
122.06020	30.1
126.05524	0.7
136.07565	67.1
137.07870	1.3
140.07039	1.5
146.05992	0.5
147.11755	0.4
150.94421	0.5
156.17796	0.4
164.07054	100.0
165.07387	2.1
182.08115	66.4
183.08455	1.3
188.07112	0.5
259.14453	0.7
286.10596	0.5
304.11624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22589	0.5
53.03942	0.6
55.01869	0.6
55.05503	2.3
56.89119	0.6
56.96561	2.0
57.03420	0.8
57.07061	0.6
61.02951	0.7
65.03943	0.6
67.05494	2.8
69.03425	2.7
69.07063	3.8
69.29315	6.7
71.04985	1.6
79.05485	2.4
81.03381	0.6
81.07051	6.1
83.04968	1.4
83.08610	1.2
84.96056	0.7
85.06532	1.1
86.89957	0.6
88.17508	0.5
91.05476	4.0
93.07052	5.1
95.04954	1.8
95.08588	4.5
97.02872	1.6
97.06506	1.6
97.10130	2.7
98.13388	0.5
98.20624	0.6
98.97565	1.0
99.04432	0.7
99.08082	0.8
105.07028	3.8
107.08601	5.6
109.06517	1.2
109.10140	3.9
115.05440	2.0
116.98595	1.5
117.05721	0.7
117.07005	3.9
118.06532	54.7
119.07391	2.6
119.08546	2.6
121.10132	3.0
123.08023	1.5
123.11694	2.1
125.09628	1.8
127.03893	0.5
127.11160	1.5
130.06505	0.8
130.12288	0.5
130.68651	0.5
131.08525	1.0
132.08113	1.1
133.10109	2.8
134.09639	100.0
134.99643	0.6
135.07999	0.8
135.09975	1.4
135.11649	2.4
137.09644	1.1
137.13307	0.6
139.11165	1.1
141.09096	0.5
142.06529	4.5
143.07310	5.8
143.08466	1.0
143.10710	0.8
144.08076	22.3
145.06479	0.9
145.10091	1.5
146.05994	100.0
147.04425	1.0
147.06331	1.5
147.11642	1.7
149.09570	0.6
149.13240	1.0
151.11179	1.8
153.01750	0.9
155.06033	0.6
155.10684	0.7
157.10143	0.8
159.11674	1.3
160.07520	1.2
161.09630	0.6
161.13202	1.0
163.11160	0.6
165.09044	0.9
165.12772	0.9
170.05998	8.2
174.09102	1.6
177.12741	0.7
180.06616	0.5
188.07047	95.6
189.00821	0.6
189.07353	2.2
192.10202	2.3
201.00746	1.0
201.16429	0.6
221.15474	0.6
237.04137	1.4
246.04630	1.0
262.75024	0.6
264.04544	0.6
285.22064	0.8
303.23093	2.2
321.10931	0.9
321.15933	10.2
321.24081	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	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05497	1.2
67.05503	12.5
69.03432	0.9
70.06592	1.8
71.04340	0.8
71.04684	1.9
72.08104	0.9
79.05473	1.4
81.07054	2.2
84.08119	1.2
85.02901	1.1
86.09694	2.0
91.05488	2.0
93.07022	3.0
94.06564	11.6
95.04953	1.4
95.08623	1.8
97.06551	0.9
105.07037	1.3
109.06522	0.9
109.10155	1.6
119.08559	1.2
121.10075	1.0
122.06025	42.7
132.95877	1.0
136.07570	63.0
137.05939	1.3
138.11623	0.7
139.07545	0.8
140.07091	1.5
146.05977	1.7
147.11624	0.8
153.05214	0.8
164.07060	100.0
165.07440	1.8
169.09088	0.8
174.96895	1.2
182.08118	69.3
188.07066	1.2
258.11176	1.2
284.04166	0.8
285.12476	1.0
286.10767	2.0
303.13217	2.4
304.11716	3.3
320.68073	0.9
321.14600	1.5
321.24161	1.2
323.94025	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01863	3.0
55.05511	4.0
56.05016	0.9
56.96552	1.7
57.03441	1.0
58.06615	1.2
65.03917	1.9
67.05501	7.6
68.04994	1.0
69.03412	3.2
69.07057	5.5
70.06587	8.7
71.04989	3.7
71.06020	1.6
72.08144	3.4
72.93771	1.0
74.06085	1.4
74.73785	0.8
79.05484	14.4
81.03412	2.0
81.05796	2.0
81.07053	7.7
83.04972	3.4
83.08617	0.7
84.04478	2.4
84.08129	2.0
85.02875	1.1
85.06544	1.9
86.06040	1.9
86.09700	3.5
88.03984	1.0
90.94807	1.0
91.05473	9.9
93.07027	5.6
94.06562	3.6
95.04956	6.6
95.08611	5.2
96.08128	15.0
97.02859	0.9
97.06509	2.6
103.05474	1.3
105.03398	2.9
105.07037	3.6
106.06562	1.4
107.04953	1.6
107.08575	4.2
108.04515	0.9
108.08076	1.5
109.06507	1.9
109.10155	3.3
110.06025	4.8
110.07188	1.2
111.04433	1.7
112.46145	0.8
113.06003	1.1
114.05535	1.4
116.07121	0.8
117.06959	1.8
118.06557	1.6
119.04936	12.5
119.08564	3.5
119.57593	0.7
120.08136	5.1
121.10137	5.1
122.06017	7.1
123.04457	1.1
123.08070	1.7
123.11694	1.2
124.07584	30.5
129.10222	1.7
130.04974	0.8
130.06538	1.0
131.07422	0.7
131.08536	2.6
132.08101	1.1
132.95847	2.2
133.06453	0.8
133.10123	2.4
134.06017	4.2
135.11716	1.6
136.07587	7.0
137.05974	1.1
137.09479	0.8
138.05481	8.9
139.11101	0.9
140.07025	1.8
142.41118	0.8
144.95909	0.8
145.10124	1.7
146.05984	1.6
146.09663	0.9
147.04399	39.6
147.11670	1.7
148.04790	1.3
148.07574	1.0
149.07370	0.9
149.09575	1.2
150.05502	3.9
150.96864	1.0
152.07056	100.0
153.07367	2.0
154.04958	1.4
154.08617	1.9
156.07716	1.0
158.09662	0.9
159.11699	1.1
160.07652	1.4
161.09573	1.2
162.05490	2.1
163.04042	0.9
164.07069	1.9
165.05469	2.5
165.12773	0.8
166.08632	1.6
168.06607	2.2
170.08180	7.3
170.09586	1.5
174.08765	2.8
174.96877	2.1
177.05476	1.1
179.10466	0.9
180.06538	21.9
186.09161	1.2
187.08719	1.0
187.12285	1.6
187.14761	0.9
189.16457	1.0
190.08687	1.4
190.12271	0.9
191.08427	2.8
198.07581	5.0
198.09180	3.3
201.10243	0.9
202.08537	1.1
202.12253	1.8
206.08456	1.0
212.10809	1.6
213.10017	1.0
214.08745	1.4
215.08177	3.1
215.11812	2.3
216.06537	1.5
216.10190	1.6
217.10403	0.9
226.08623	1.5
228.08832	1.2
229.09650	3.7
232.09525	1.0
233.09256	4.3
234.07617	1.2
235.10454	0.8
237.02560	1.0
241.09654	1.5
243.11322	8.9
249.18495	2.4
255.11256	0.9
257.09256	3.3
257.12839	1.9
260.09122	2.4
261.08749	6.2
261.12381	5.5
267.11230	2.6
267.19669	1.4
272.11545	1.0
273.12399	1.5
275.10406	2.2
275.13776	1.9
276.08682	0.9
276.12173	1.5
277.11737	0.9
285.12314	13.8
286.07101	1.2
293.11420	1.3
303.09952	1.5
303.13342	20.0
304.11594	1.3
321.05545	1.5
321.10455	25.5
321.14746	13.0
321.24283	2.0
322.10806	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	321.103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	8.9
58.51653	1.5
69.03419	3.3
70.06578	6.8
70.98125	1.7
71.41247	3.3
72.93776	1.9
77.00905	3.4
82.99853	3.1
84.04470	2.4
84.08138	5.1
85.02898	5.9
91.02424	2.3
94.99860	1.6
97.02900	2.2
98.97586	8.1
99.04438	1.8
101.00867	21.9
103.02422	3.4
110.97600	2.6
112.99146	11.4
113.00888	6.1
115.02415	15.9
116.98615	5.0
117.03983	4.3
119.01913	100.0
120.01992	2.7
121.03430	2.3
127.02422	3.6
127.03940	3.2
128.98599	2.6
129.03961	5.4
129.10204	2.7
131.00218	16.6
131.01900	40.8
132.95821	1.8
133.03467	51.8
135.05000	9.8
137.00819	2.7
137.02946	26.0
141.03979	1.7
143.01898	15.0
144.99834	4.1
145.03444	16.8
147.01396	3.1
147.05019	5.3
149.01207	13.0
149.02965	5.8
151.04463	11.0
154.08594	1.6
155.01888	27.9
155.03110	2.3
156.02664	4.4
157.03482	9.8
158.97504	2.0
158.99631	2.3
159.05043	29.0
159.06459	7.0
161.01477	2.0
161.02931	31.0
163.04529	7.0
167.02254	2.7
168.99834	8.5
171.01346	3.1
171.04999	28.0
173.01395	2.7
173.02957	37.2
173.06613	7.2
175.04491	12.6
177.00867	2.5
177.02403	2.9
177.06049	15.4
179.04085	2.2
179.81114	1.7
183.05066	4.6
185.02974	4.5
185.06638	4.2
187.00879	24.0
187.04509	3.2
189.00836	3.1
189.02370	11.4
189.06058	23.4
191.03999	11.7
191.07668	4.2
193.03857	3.0
196.99339	5.0
201.02477	3.3
201.06046	12.0
203.03952	9.3
203.07692	3.4
205.01955	12.0
205.05617	1.9
211.04742	4.6
213.06078	7.8
215.00360	29.3
215.02267	2.9
217.01971	2.5
219.01764	4.7
219.03598	6.0
219.07083	11.6
221.05040	46.0
229.01872	8.6
231.07140	7.4
233.01384	2.6
233.05051	10.3
237.02960	2.0
239.06206	2.3
245.05061	6.7
247.02997	49.9
248.03252	2.5
249.04588	2.1
261.02792	5.0
261.08185	43.6
261.10800	3.0
262.08337	1.7
265.03983	9.2
273.08072	1.9
279.06192	1.9
279.09225	55.8
279.12167	3.1
289.01959	2.9
307.03531	2.2
321.11038	79.3
321.22202	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	320.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67609	3.3
53.03931	4.9
55.01872	6.7
55.05505	9.5
55.93518	6.2
56.05030	16.1
56.96565	7.7
57.03146	5.5
57.03432	100.0
58.99597	4.7
59.04973	7.0
65.03938	7.6
67.05504	24.4
69.03435	7.1
69.07054	14.9
69.51647	29.3
70.02971	4.2
70.06583	68.9
71.04992	6.7
72.08149	14.3
72.44003	4.2
72.93748	5.5
74.06070	13.2
75.04463	6.9
79.05489	41.0
81.03403	16.3
81.07058	62.5
83.04961	4.9
83.06113	3.7
84.04496	13.3
84.08134	25.8
85.02905	10.7
85.06530	26.0
86.00635	4.6
86.09708	23.9
88.03981	33.9
90.94836	3.7
91.05475	35.9
93.07032	39.8
94.06561	5.9
95.04962	32.9
95.08601	27.3
96.08092	5.5
97.02917	4.6
97.06517	30.0
98.06057	5.5
105.07044	30.2
107.04951	6.8
107.08590	71.5
108.08133	6.3
109.02825	5.3
109.06511	49.8
109.10147	7.1
110.07153	18.8
111.02642	10.0
111.04475	4.8
111.08125	3.9
112.07597	3.8
113.05999	85.9
116.07092	10.5
116.96334	3.7
116.98534	4.6
117.06977	5.8
118.06546	4.6
119.04959	9.7
119.08555	10.1
120.08104	19.6
121.06481	5.7
121.10144	15.4
122.02713	8.0
122.06039	3.8
123.08036	9.0
123.11683	29.0
124.03947	17.7
125.04218	8.2
125.09628	14.9
127.11190	7.4
129.10260	12.3
130.06548	11.1
132.01147	11.1
132.04446	4.3
133.06532	4.7
133.10123	16.5
135.11717	11.7
136.07547	9.7
138.05510	5.1
139.03818	3.7
139.11171	4.0
145.06520	3.9
145.10101	21.5
146.05995	10.4
147.04385	38.9
149.06116	4.3
151.11156	90.2
151.12335	5.6
158.05995	5.4
158.11760	8.1
163.11153	41.9
164.06996	3.6
166.05023	13.0
169.12198	20.0
173.09213	15.5
175.08800	4.5
176.03395	9.8
178.06047	3.4
179.08975	4.1
181.12172	24.9
188.07082	7.5
189.10281	5.4
195.08456	5.5
197.09979	11.1
199.13306	10.3
200.07372	6.5
203.08281	8.2
206.19113	3.9
212.07338	8.0
215.10985	12.2
216.10178	19.7
231.07521	3.9
232.07822	5.4
242.08199	6.5
245.09082	7.1
260.12753	13.7
272.13165	13.2
278.13248	24.0
284.13007	27.1
285.12219	9.0
302.14206	11.8
303.12839	17.6
320.15250	38.7
321.09634	11.9
321.14499	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	319.2266
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
53.13327	5.6
55.01877	6.9
55.05502	22.5
56.96556	18.4
57.07071	8.7
59.04978	5.9
62.30127	5.0
63.74235	5.1
65.98619	5.9
67.05502	60.8
67.73549	5.1
69.03420	25.0
69.07067	35.6
71.04994	32.9
71.78402	5.4
76.99918	5.5
79.05484	26.8
81.03413	11.6
81.07051	71.5
83.04970	11.4
83.08620	12.0
85.02917	9.4
85.06524	13.2
91.05471	31.1
93.07050	63.5
95.04995	33.0
95.08605	63.4
97.02866	9.6
97.06522	17.7
99.08108	14.2
105.07025	72.3
107.04950	7.1
107.08598	59.8
109.06514	17.9
109.10152	100.0
111.04445	5.9
111.08076	8.6
111.11702	5.4
117.07023	11.4
119.08585	53.1
121.06505	16.5
121.10133	86.9
123.08111	10.4
123.11700	27.1
125.09633	20.6
127.07519	9.1
131.08571	21.9
133.06525	7.6
133.10118	44.6
135.08060	13.0
135.11707	38.8
137.09615	40.7
137.13252	12.5
139.11162	28.3
142.07803	8.0
143.08495	12.8
145.10094	46.1
147.04391	7.5
147.08060	14.3
147.11707	22.2
149.09621	12.7
155.08546	7.7
155.10582	6.7
157.10138	26.6
159.08038	8.2
159.11679	16.9
161.09587	40.5
163.11205	22.7
165.09117	30.7
171.11719	13.1
173.09590	13.1
173.13242	29.0
175.11171	43.8
179.10632	8.1
181.12347	6.1
185.13332	13.9
187.11227	10.3
187.14850	19.3
189.12709	9.1
191.14215	8.3
197.13245	22.2
199.14853	10.2
199.95020	6.2
203.14313	18.5
208.99283	6.3
213.12767	14.4
213.16353	23.0
215.14362	29.3
227.14313	8.6
229.07529	11.0
229.24768	5.8
231.17416	34.7
233.15306	9.9
235.06445	5.7
241.19624	9.2
247.08441	10.2
259.20419	6.4
273.14914	7.7
273.22070	10.1
283.20581	36.7
297.10114	10.3
301.21579	80.6
315.12985	7.5
319.12515	7.8
319.15781	13.1
319.19043	12.5
319.22632	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	319.2266
Annotation	Ichthyouleolide
Peak:m/z	Relative Intensity
53.03942	6.6
55.01877	7.0
55.05511	26.5
56.96550	11.4
57.07051	8.7
62.85740	5.7
67.05500	47.2
69.03408	20.3
69.07066	65.4
70.06587	8.1
71.04973	14.8
71.59940	6.1
79.05492	42.8
81.03408	10.5
81.07051	100.0
83.04966	18.2
83.08589	13.2
84.08102	6.5
85.06510	11.1
91.05477	43.5
93.07030	63.6
95.04963	37.7
95.08606	69.1
97.02879	9.7
97.06511	28.8
97.10136	17.8
105.07029	51.4
107.04918	12.8
107.08584	72.4
109.02854	8.6
109.06480	11.3
109.10146	58.0
111.04411	5.4
111.08036	12.1
111.11749	5.5
117.06981	11.7
119.08575	45.4
121.06505	11.3
121.10135	52.4
123.08035	15.6
123.11700	22.5
125.09612	15.8
127.03938	6.5
127.11140	6.9
131.04953	6.0
131.08531	17.7
133.06465	7.4
133.10094	34.6
134.06013	35.6
135.08008	41.6
135.11678	29.1
137.09645	11.6
139.07463	6.7
139.11154	11.3
143.08530	13.8
145.06520	5.4
145.10095	29.6
147.04362	6.5
147.11658	22.1
149.09624	12.5
149.13231	15.3
151.11166	10.5
157.10080	17.2
159.11633	17.4
161.09610	12.0
161.13223	10.7
162.05568	5.7
163.11142	15.0
165.09187	6.2
165.12695	6.3
171.11838	10.4
173.09698	5.5
173.13243	23.2
175.11130	17.5
175.14847	5.3
177.12747	7.7
178.04982	15.4
179.10599	7.2
187.11156	6.3
187.14709	8.3
189.05492	6.8
189.12712	5.7
191.14301	9.6
199.14772	12.1
201.16264	7.8
203.14273	7.1
219.17444	12.8
233.15361	6.8
245.15439	6.4
273.14948	8.4
273.22104	15.3
283.20502	18.9
301.14459	14.6
301.21616	43.2
319.12604	7.4
319.15656	10.9
319.18933	8.1
319.22656	42.0
319.26077	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	319.2264
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
50.26029	2.1
53.03938	4.2
55.01866	3.8
55.05505	21.1
56.96535	2.3
57.03423	2.4
57.07063	5.7
59.04974	3.9
65.03916	2.8
65.06717	2.1
67.05173	2.8
67.05500	49.7
69.03436	16.3
69.03738	3.6
69.06713	3.3
69.07059	37.1
70.93574	2.9
70.93921	5.1
71.04987	25.4
73.06551	2.5
73.47364	2.1
79.05476	23.3
81.03374	3.6
81.07046	59.5
83.04962	7.0
83.08592	5.5
84.08105	2.6
85.06522	6.9
91.05466	27.2
93.07040	48.1
95.04945	24.7
95.08593	50.5
97.06516	11.5
97.10147	8.0
99.04494	2.6
99.08080	11.5
102.60566	2.2
103.05431	3.6
105.07025	53.3
107.04984	2.8
107.08575	57.5
109.02814	2.4
109.06487	14.9
109.10142	92.4
111.08040	6.9
111.11700	4.9
117.07001	7.5
119.08569	48.1
121.06453	17.7
121.10130	100.0
123.08041	11.5
123.11692	24.1
125.05975	2.8
125.09653	17.1
127.07542	15.9
127.11194	5.4
128.06236	4.4
129.06972	4.8
131.08551	16.4
133.06387	3.8
133.10115	44.9
133.86696	2.2
135.08009	9.9
135.11665	31.2
137.09602	40.4
137.13239	6.5
139.07539	3.4
139.11177	22.3
141.12724	3.0
142.07791	3.9
143.08536	11.7
144.09398	3.2
145.06503	2.8
145.10118	38.4
146.07230	3.5
147.08022	15.9
147.11639	15.8
149.05962	2.3
149.09586	9.5
149.13242	6.4
151.11163	6.2
153.12746	13.6
155.08554	4.8
155.10652	7.0
156.09325	4.8
157.10127	16.3
159.08116	5.8
159.11702	22.6
160.08791	2.8
161.09613	43.2
161.13246	8.8
163.11186	24.7
165.09099	32.3
165.12776	4.2
169.10103	7.5
171.11655	13.0
173.09601	13.4
173.13269	27.9
175.11162	36.0
175.14774	7.2
177.09047	3.3
177.12807	5.9
179.08572	3.7
179.10664	12.0
181.12271	5.5
182.10922	4.2
183.11644	3.4
185.13257	9.3
187.11156	3.8
187.14850	15.3
187.86104	2.4
189.12762	6.0
189.16473	4.2
191.10728	5.5
191.14314	9.5
193.12262	4.6
195.11655	3.3
197.13304	16.8
198.10510	2.6
199.11082	2.9
199.14818	7.4
201.12711	3.0
201.16490	2.6
203.14265	10.0
205.12234	3.2
205.15996	2.9
209.13226	3.5
211.14783	4.5
213.12729	10.6
213.16339	17.3
215.14305	23.9
223.14812	3.2
227.14296	6.7
231.17426	30.4
233.15327	9.6
239.17607	3.1
241.15839	4.2
241.19554	7.5
245.15289	4.1
255.21011	6.5
259.20560	4.2
265.19510	3.6
266.59177	2.5
273.22076	12.7
283.20514	35.5
301.14590	3.1
301.21591	77.2
301.25034	5.1
309.21954	2.3
319.12930	3.1
319.22656	82.1
319.26428	4.4
320.23019	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	319.2266
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
55.05501	21.5
56.96571	2.7
57.03428	4.8
57.07066	3.2
58.77985	2.9
59.04979	4.7
65.03925	4.5
67.05502	31.9
69.03416	18.8
69.07054	15.9
70.66262	8.8
71.04998	17.8
72.08121	3.4
78.10190	2.6
79.05483	26.3
80.56881	2.5
81.03399	3.9
81.06573	4.9
81.07050	100.0
82.38519	2.5
83.04977	4.5
83.08615	7.1
85.06534	5.6
91.05473	29.4
93.07031	55.1
95.04985	13.6
95.08598	67.1
97.06513	13.5
97.10146	10.7
99.04473	4.0
105.07027	49.6
107.08586	71.0
109.02821	4.0
109.06498	6.8
109.10155	45.2
111.04414	3.3
111.08058	6.4
115.05472	2.8
117.06983	7.3
119.04922	5.3
119.08561	38.7
120.08098	4.6
121.06503	14.6
121.10126	48.3
123.08028	6.9
123.11694	15.9
125.09623	26.1
127.11213	5.9
130.07800	3.2
131.08545	12.7
131.90025	3.0
132.99547	3.3
133.10117	40.5
135.08069	10.1
135.11690	29.1
136.07539	9.2
137.09605	9.8
138.05460	4.7
139.11150	5.6
142.07782	4.5
142.98030	3.7
143.08600	6.6
144.09309	2.9
145.10118	31.1
147.11670	16.9
148.27896	2.7
149.09555	4.4
149.13249	12.6
151.11177	9.6
153.09035	3.7
153.12723	3.4
157.10133	12.4
159.11691	28.8
160.07541	5.9
161.09637	15.4
161.13235	15.4
162.05489	11.4
162.06725	3.2
163.11191	9.2
165.12712	4.4
171.11716	4.4
173.09541	4.4
173.13300	13.3
175.11188	10.7
175.14868	4.2
176.98491	4.4
177.05484	4.7
177.12785	3.9
177.16388	4.0
179.10643	3.5
180.06686	3.0
185.13171	3.6
187.14835	11.5
188.07076	17.1
189.16226	4.0
191.14313	11.3
191.17921	13.3
197.13197	6.8
199.14777	14.7
200.10715	10.2
201.16423	17.6
203.10777	3.0
211.14850	4.0
213.12639	3.7
213.16357	5.5
214.08598	23.3
215.14371	5.0
215.17953	3.6
219.17390	19.6
227.14284	5.0
228.10178	19.9
231.17447	6.4
255.21037	6.2
256.09656	45.1
265.19507	4.3
273.22067	24.2
274.10724	4.2
283.20520	19.4
284.09155	11.8
287.05789	5.9
287.85687	3.0
291.23196	3.5
301.21585	39.8
302.10220	32.9
303.10486	3.9
319.12909	6.1
319.19028	4.4
319.22546	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	319.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.4
55.05502	3.7
56.05030	9.5
56.83947	1.2
56.96564	3.3
57.03435	2.0
57.05802	2.2
60.04544	2.1
60.05647	2.2
65.03942	1.6
67.05495	2.4
69.03429	2.8
69.04539	1.7
69.07063	3.2
70.06585	27.9
71.05008	1.6
71.06928	2.0
71.60265	1.6
72.08150	8.5
72.93816	1.5
74.06079	3.3
79.05496	1.7
81.03452	1.3
81.04538	1.5
81.07062	3.0
83.04970	4.1
83.06113	3.9
84.04504	4.5
84.08131	13.7
85.02888	2.5
86.09698	13.5
86.25749	1.2
87.05639	2.2
87.10025	1.6
91.05473	7.9
93.04634	1.3
93.07068	2.7
94.06591	2.4
95.04984	1.9
95.06093	3.7
95.08618	1.5
96.08128	1.6
97.04025	2.3
99.04465	1.6
99.05579	1.2
106.06620	1.4
109.02918	2.7
109.10175	1.4
110.07188	3.3
111.04436	3.2
111.05567	9.4
112.07636	1.4
112.08763	3.6
113.06059	1.1
113.07102	6.2
115.08708	1.9
116.07119	4.2
118.06559	3.0
119.04989	2.7
120.04488	4.2
120.08067	7.6
122.06081	2.2
123.05543	2.3
124.03941	7.2
124.07603	1.9
126.06656	3.8
126.09175	7.2
129.10220	7.6
130.05063	1.8
130.06572	3.1
132.04436	15.5
132.08083	2.5
134.06032	5.1
136.07625	5.3
137.04752	2.0
138.09140	2.9
140.08180	4.3
146.06047	1.8
147.04454	4.7
150.05484	9.5
150.96861	1.5
151.06113	8.3
159.09245	1.4
165.06700	2.0
166.05008	12.3
173.09274	1.6
174.05609	1.4
174.07738	1.6
176.07076	2.8
182.08267	1.7
187.08659	8.9
188.01744	1.4
188.07111	4.3
194.04585	3.1
202.09834	4.2
203.08179	6.9
211.08755	2.9
216.01158	2.4
219.07614	1.4
225.04398	1.4
225.10512	1.3
227.11777	2.9
228.10312	1.8
230.09346	3.7
231.07597	28.3
232.08528	1.4
232.10846	2.8
233.09293	2.0
233.13901	6.9
235.11230	1.7
242.09314	2.9
245.09302	3.1
249.13535	1.4
255.11311	2.7
257.10400	5.3
259.11917	30.4
270.10086	2.2
271.10785	1.9
272.11649	3.3
273.03363	1.7
273.12473	5.4
277.12918	100.0
278.13449	3.0
280.66788	1.4
283.10843	3.3
284.11511	2.8
295.74146	1.6
301.11584	15.0
302.12466	68.4
303.12933	1.7
319.04639	2.7
319.15286	83.9
320.11603	2.8
320.15363	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	319.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01856	1.5
55.05520	3.1
56.05024	4.6
56.96545	1.0
57.03414	1.0
58.99569	4.0
61.01120	1.1
65.48768	0.6
65.51942	0.6
67.05511	3.2
68.05005	1.5
69.03407	1.7
69.07043	2.7
70.06595	5.2
71.04974	0.6
71.06918	1.1
71.60265	1.0
72.08160	4.7
73.78281	0.6
74.00650	3.8
74.06048	0.8
76.02207	2.8
76.41563	0.6
79.05478	3.3
80.04996	1.2
81.03391	1.8
81.07063	6.0
83.04935	1.4
83.08612	1.5
84.04479	1.9
84.08138	5.7
85.01100	3.4
85.02886	1.3
85.06522	0.9
86.00646	27.8
86.09704	6.9
87.02673	0.9
88.02192	1.7
91.05460	2.8
93.07023	2.3
94.06549	1.6
95.04939	1.3
95.08587	4.6
96.04465	0.7
96.08100	1.9
97.01108	0.8
97.02866	1.1
97.06529	1.8
98.09190	0.6
98.09691	8.3
98.97604	0.8
99.04455	0.8
99.08074	0.9
100.02196	1.8
100.07602	0.6
102.05496	2.1
103.05458	1.3
105.07001	2.3
106.06496	0.8
107.04936	1.2
107.08580	1.4
108.04424	0.8
109.02846	2.0
109.06494	0.8
109.10113	1.0
110.05981	1.0
110.07133	2.6
110.09660	3.2
112.03939	1.0
113.04226	12.8
113.07128	0.8
114.03737	0.7
116.01652	2.4
116.07084	1.1
117.07005	0.8
119.08548	1.0
120.08090	4.1
121.10145	1.1
122.06015	0.8
122.09660	3.9
123.08046	3.2
123.10446	0.9
125.09633	1.0
126.09143	1.7
127.03916	1.0
127.05774	0.8
129.07346	3.0
129.10179	1.8
130.04999	1.2
130.06758	1.4
130.08598	0.7
131.08592	1.4
132.08090	1.0
132.10172	1.0
135.11708	0.8
136.07547	2.0
138.05443	0.7
138.09132	1.2
139.05708	3.0
143.02713	1.5
143.08540	0.8
145.06181	1.9
146.02650	1.0
146.05995	1.3
153.01912	0.7
156.08415	80.1
156.10147	4.1
157.08766	1.6
160.06139	1.0
162.02200	0.9
164.07010	0.7
166.04976	2.6
171.09116	1.1
173.07098	0.8
175.08656	1.0
184.07544	1.4
184.09813	0.8
185.16435	1.1
186.09099	0.9
187.12384	0.9
188.06979	0.9
188.10625	0.9
189.03210	1.2
189.80495	0.6
198.09445	21.7
199.08553	1.2
201.10213	1.5
202.62601	0.8
210.09200	1.2
211.08665	1.5
212.09305	1.6
213.10515	5.9
214.08659	1.1
215.11942	3.6
216.01120	1.4
216.10513	100.0
217.10800	2.8
225.10181	1.9
226.08885	1.6
226.10869	1.3
227.08122	1.3
227.11774	4.7
228.10342	1.5
229.09708	3.1
231.06448	0.8
239.08124	1.1
240.08905	2.2
241.09753	2.2
243.11267	9.0
244.09737	0.9
245.12852	1.7
255.11333	6.2
256.09570	1.6
258.11359	0.9
259.11102	46.9
270.09833	1.8
271.10782	4.7
272.11615	4.8
273.12308	26.6
274.10590	1.1
275.13901	1.5
283.10840	7.1
290.10272	0.9
301.11847	24.2
305.12463	0.7
319.04501	2.2
319.13080	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01860	0.8
55.05499	2.3
56.96554	1.7
57.03423	1.3
65.03925	3.3
66.67728	0.5
67.05495	3.0
69.03431	2.6
69.07062	2.0
70.06583	2.1
71.04970	0.8
72.08156	1.2
74.55675	0.5
79.05493	3.9
80.05005	0.6
81.03384	0.9
81.05791	0.5
81.07048	5.5
82.06573	1.4
83.04970	1.5
83.08595	1.1
84.04523	1.4
84.08128	1.6
85.02892	2.0
85.06547	1.0
86.09692	1.7
86.49167	0.5
88.83098	0.6
91.05453	3.6
92.04993	2.1
93.07027	3.8
94.06554	1.1
95.04971	1.9
95.08591	1.9
96.08121	1.9
97.02869	0.8
97.06523	1.9
105.07018	3.1
106.06580	0.7
106.07341	0.5
107.04941	0.7
107.08581	3.2
108.08124	1.3
109.02834	0.8
109.06501	2.1
109.10154	1.6
110.06033	1.0
110.09679	1.6
111.04443	0.9
111.08106	1.1
115.05512	1.0
116.98630	0.8
117.06964	1.0
119.08582	3.1
120.04412	0.6
120.08086	2.2
121.10140	2.0
122.02812	0.6
122.06023	1.2
123.08060	1.2
123.11701	0.9
124.07583	6.9
125.09620	1.0
126.09142	13.8
129.09158	0.8
129.10094	0.7
130.04982	3.1
131.08562	1.5
132.08099	1.1
133.10091	1.3
134.05963	0.6
134.99672	1.0
135.08052	0.8
135.11728	1.4
136.07559	2.4
137.07907	0.8
137.09616	1.3
138.05486	3.9
138.09126	14.2
138.10210	0.8
139.07527	0.6
141.06940	0.8
143.08511	0.9
144.08049	1.3
145.10112	1.4
146.06027	0.8
147.08002	0.8
147.11528	0.7
148.03906	1.6
149.09604	0.6
150.05614	0.7
151.11201	0.7
152.06979	0.8
156.09480	0.5
157.07614	2.2
157.10126	1.2
159.09245	0.6
159.11681	1.1
160.07553	0.6
163.11221	1.5
166.04993	26.2
166.08607	1.6
167.07298	0.8
168.06683	0.7
169.07573	0.9
170.08386	1.2
171.09190	2.8
172.07571	1.8
172.11351	0.7
173.13155	0.6
174.09195	1.5
175.11172	0.8
176.03471	1.8
177.05481	0.8
178.04970	1.3
182.04512	0.8
182.09628	0.9
183.09174	1.6
184.09950	3.1
186.09178	1.5
188.01607	0.7
188.07210	0.7
189.10201	1.5
194.04472	14.8
194.08371	1.2
197.07094	1.3
197.10692	1.0
198.07808	1.4
199.08646	2.4
199.12364	3.6
200.07063	1.2
200.10799	1.5
202.11069	0.7
210.09410	0.9
210.11574	1.5
211.08638	3.5
212.09357	6.2
213.10243	3.6
214.08569	1.3
217.09724	6.2
225.10216	4.6
226.10973	10.9
227.08165	1.0
227.11755	13.7
228.10185	4.3
229.09679	1.1
229.13281	0.7
237.02881	0.7
240.08978	1.1
241.09648	2.4
243.07619	7.8
245.12856	2.0
254.10713	0.6
255.11279	12.8
257.09143	3.7
257.11606	0.6
257.12698	0.5
258.09814	0.8
259.10800	8.4
270.09955	15.3
271.10742	12.2
271.13443	1.1
272.11530	34.9
273.12305	40.3
274.12646	1.9
283.10736	11.9
283.13437	0.6
291.13242	0.8
301.11804	100.0
302.12259	4.3
319.04221	1.6
319.07089	1.9
319.12839	21.4
319.22391	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	319.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01852	1.7
55.05503	5.8
56.05023	1.7
56.96557	7.8
57.02109	0.7
57.03422	2.7
59.04976	1.1
61.02901	1.0
65.03929	1.8
67.05494	6.5
68.05019	1.0
69.03421	6.1
69.07069	4.7
70.06593	4.3
70.06908	0.8
71.04985	1.4
72.08136	1.5
72.93784	1.0
73.02906	2.8
74.06073	1.5
79.05486	11.6
80.05003	2.9
81.03395	3.7
81.05803	6.7
81.07047	11.6
82.06576	0.9
83.04970	3.1
83.08607	1.3
84.08139	4.2
85.02899	5.0
85.06528	2.2
86.09695	14.3
87.10027	2.9
90.94800	0.9
91.05473	3.8
92.05002	1.3
93.07033	6.4
94.06553	2.4
95.01301	1.1
95.04971	4.7
95.08595	4.0
96.08121	24.8
97.02868	4.6
97.06509	3.7
98.71613	0.8
98.97556	5.7
99.04393	1.0
103.05437	1.2
105.03366	14.6
105.07018	6.0
106.06546	5.1
107.04926	2.1
107.08589	3.8
109.02856	3.6
109.06509	2.6
109.10136	4.9
110.06036	1.2
110.07141	1.0
110.97581	0.9
111.04414	1.7
111.08087	1.7
112.11211	1.1
115.05436	1.8
116.98601	5.8
117.07016	2.1
118.06564	1.3
118.62296	0.8
119.01791	1.0
119.04939	0.9
119.06890	1.0
119.08553	4.1
120.08086	3.1
121.02848	1.2
121.06487	1.3
121.10123	3.4
122.06030	0.9
123.04436	1.5
123.08052	3.4
124.07581	100.0
125.07938	1.5
126.09177	4.2
129.07014	1.6
129.10188	1.6
130.06528	1.5
131.00099	1.1
131.08560	2.6
132.95795	1.0
133.06473	1.5
133.10120	2.5
134.99655	3.8
135.08047	1.3
135.11671	1.6
136.07574	2.5
137.02321	2.7
137.05930	1.0
137.09590	2.1
138.02620	1.0
138.05475	2.2
138.09122	7.1
139.03862	1.2
139.11215	1.1
140.10690	3.2
143.08475	1.6
144.08035	1.3
145.10069	2.2
146.05986	2.6
147.03072	2.1
147.04349	2.2
147.06259	1.1
147.11617	1.1
149.01245	5.0
150.96938	1.1
152.03386	1.1
153.01836	3.3
155.11765	7.3
156.03607	10.8
156.08076	1.2
157.10083	1.1
158.97383	2.3
159.11655	1.8
160.07497	1.0
161.05983	1.4
163.11162	2.1
166.04964	5.3
167.02252	3.1
167.07205	1.5
169.01292	3.1
175.02740	1.4
176.03470	1.0
176.98456	2.1
177.00594	1.0
177.12724	1.2
178.05029	4.2
179.07007	1.9
180.02858	7.3
181.01151	1.2
182.04526	7.2
184.03995	1.3
184.07597	1.7
185.04721	1.1
188.01614	6.8
188.07037	3.6
188.98439	5.3
189.02328	1.3
189.07486	4.1
191.04031	1.3
194.04436	1.9
198.03978	2.6
198.09123	1.3
201.10219	2.2
205.09807	1.5
206.09975	2.0
210.09106	1.5
211.08658	0.9
212.09402	2.6
213.10217	1.5
214.08673	1.6
215.11795	4.2
216.01163	9.5
216.10403	1.6
217.04948	1.1
218.02652	2.4
223.90509	1.1
224.08095	1.9
225.10295	1.8
226.10942	1.6
227.11801	4.0
228.05658	12.2
228.10284	1.3
229.09694	7.0
229.13776	3.3
234.02205	1.3
234.98991	2.7
237.02710	1.1
237.06244	3.8
238.07899	2.9
241.09747	2.1
243.07619	2.3
243.11267	8.5
245.04480	2.6
255.11317	5.6
256.09668	1.0
257.12799	2.4
259.10910	1.3
260.12888	1.2
262.01727	4.4
270.09851	5.2
271.10797	7.5
272.08160	1.8
272.11490	6.9
273.03555	6.2
273.12308	23.8
275.13980	1.1
283.10690	3.8
288.48254	0.9
293.05237	1.2
295.08453	5.2
301.03320	1.7
301.11765	30.8
301.15100	1.9
301.21625	2.0
302.12155	1.1
305.12515	1.4
313.09650	1.4
318.10135	1.0
319.00690	2.1
319.04498	39.6
319.12875	45.5
319.18668	1.9
319.22772	3.0
319.60596	2.4
320.04782	3.0
320.14081	1.1
337.09686	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	319.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02566	0.9
55.01870	1.5
55.05503	4.9
56.96563	1.2
57.03436	1.6
59.76204	0.9
60.04502	1.1
62.96151	1.0
65.03942	2.1
67.05487	5.9
69.03428	2.4
69.07044	3.5
69.76445	5.3
70.06570	2.3
71.04994	1.3
72.08156	2.4
79.05495	4.7
81.03394	3.9
81.07041	8.6
83.04978	1.8
84.08130	2.4
85.02912	0.9
85.06551	1.6
86.09700	1.9
87.08126	0.9
91.05471	5.7
93.07029	8.5
95.04955	9.5
95.08070	1.0
95.08594	6.7
97.06531	2.4
98.20751	1.9
105.07019	6.8
107.04942	3.0
107.08588	5.7
108.08119	1.0
109.02842	1.7
109.06481	2.4
109.10145	5.7
115.05479	1.3
117.07047	2.6
119.08564	4.6
121.02846	1.5
121.06488	3.8
121.10149	3.7
123.08080	1.0
123.11720	1.6
125.09646	2.2
129.06993	1.7
130.06584	1.1
131.07304	3.8
131.08514	2.2
132.08072	1.9
133.10114	3.8
134.99701	1.2
135.08051	2.3
135.11642	2.1
136.07617	1.3
137.02332	3.6
137.09596	3.6
143.08582	1.4
144.08081	4.2
144.09146	1.4
145.06433	1.3
145.10110	4.5
147.11646	1.7
149.09579	1.9
151.07492	1.1
151.11162	1.2
153.01831	3.5
154.02153	1.4
155.02351	1.2
155.08569	1.3
155.10667	1.0
157.10114	2.0
158.09648	1.5
159.11691	2.6
161.05960	1.2
161.09573	1.5
161.13257	1.4
162.05551	1.4
163.11186	1.7
166.04977	1.5
169.01329	2.3
169.08839	1.6
170.06012	1.2
170.09645	1.2
171.11761	1.6
172.07620	1.1
172.11186	2.1
175.11156	1.4
182.04507	1.3
182.09674	2.0
184.07530	1.7
184.09912	2.1
185.08331	2.0
185.13185	1.5
186.12747	4.1
188.07048	1.2
189.00681	1.1
189.05403	1.7
198.07660	1.8
198.09264	2.3
199.08534	2.0
200.10622	1.7
208.05934	6.1
209.07010	1.2
209.10838	1.4
210.09203	2.4
211.05009	5.1
211.08539	1.1
212.09290	2.6
212.10977	1.3
213.06578	1.7
214.12263	15.8
217.05066	1.4
224.09717	1.1
225.06586	1.5
226.07318	2.7
227.03351	1.2
227.08115	4.6
227.11703	5.1
228.10463	4.8
230.11589	1.8
237.10249	1.5
239.11862	2.0
240.10443	7.9
241.06166	5.2
241.09660	5.1
242.10527	1.3
245.04546	1.6
253.09703	1.2
255.07359	1.9
255.11363	9.8
256.09671	1.7
256.12094	1.5
257.12759	4.5
258.11243	14.8
259.04999	1.2
259.10941	1.3
270.09988	8.0
271.10626	2.3
272.07895	42.0
273.03870	4.3
273.08640	6.1
273.12299	4.0
273.14908	1.5
276.05206	1.4
283.10760	10.3
283.20279	1.4
287.04449	1.8
301.11783	100.0
301.21628	3.7
302.12283	4.7
304.04758	3.3
311.29938	1.2
319.04181	28.7
319.07266	7.3
319.12619	9.9
319.16055	1.5
319.19186	2.0
319.22623	6.9
320.04727	2.1
320.14938	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	319.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.1
55.05505	6.1
56.05031	2.1
56.96568	1.3
57.03427	2.7
60.04494	0.9
65.03929	1.7
67.05505	6.1
68.05021	1.0
69.03422	2.6
69.07050	3.5
70.06596	7.0
71.04957	2.1
71.60510	1.4
72.08157	6.7
74.00629	1.0
76.02200	1.2
78.41167	0.8
79.05474	3.9
80.04997	1.1
81.03403	2.4
81.05779	0.9
81.07047	6.7
82.06539	1.6
83.04961	3.3
83.08607	1.5
84.04468	1.1
84.08139	4.4
86.00645	7.9
86.09706	5.2
88.02187	1.1
91.05453	3.0
92.05006	1.8
93.07032	3.9
94.06523	1.6
95.04949	2.5
95.08589	2.6
95.55389	1.0
96.08113	2.0
97.02865	1.6
97.06516	2.2
97.10144	1.0
98.09672	2.0
102.05525	1.7
105.03382	5.5
105.07021	3.2
107.08555	2.4
109.02883	2.1
109.06509	2.4
109.10146	3.6
110.07159	2.0
110.09739	0.8
111.04411	1.3
111.08060	2.1
113.04223	2.6
116.01633	1.4
116.07076	1.7
116.98585	1.6
117.06993	1.4
118.06515	0.8
119.08560	2.1
120.08086	3.3
121.10126	2.3
122.06013	2.6
122.09636	2.1
123.08040	3.3
124.07580	3.6
126.09153	9.3
129.06963	1.0
129.10204	1.6
130.05031	1.1
130.06544	1.6
130.08607	1.9
133.06538	1.4
133.10062	1.2
136.07562	2.8
137.05893	0.9
137.09590	1.0
138.05492	5.8
138.09143	8.6
139.03886	1.2
144.08098	0.9
145.10117	1.3
146.06012	2.1
147.07916	0.8
150.05463	1.0
153.01817	1.4
156.08418	17.2
156.10211	1.6
157.07614	2.2
157.08826	1.3
159.76112	0.9
160.07588	1.7
160.09659	2.3
162.05557	1.2
164.07054	1.2
166.05006	14.8
166.08707	1.2
166.38620	0.8
169.01369	1.1
169.07642	1.1
171.09166	3.6
172.07602	1.9
173.08339	1.5
174.09213	1.8
183.09128	1.4
184.09906	2.8
186.09154	1.8
188.01598	1.9
188.07111	1.3
188.10745	1.1
194.04431	1.7
197.07137	1.3
198.07852	1.2
198.09476	5.9
199.08676	3.1
199.12282	4.1
200.07092	1.0
200.10791	2.3
204.08296	1.3
209.10699	1.3
210.09250	1.2
210.11371	1.3
211.08624	6.2
212.09390	7.4
213.10182	4.9
214.08598	2.3
214.13684	0.9
215.11844	1.8
216.01274	2.2
216.07040	0.9
216.10527	21.3
217.09630	1.9
217.82120	0.8
223.40919	0.7
225.06683	1.3
225.10217	6.6
226.10979	12.1
227.05965	1.7
227.08208	2.1
227.11752	16.8
228.10391	5.6
229.09737	3.3
229.14330	1.8
231.11198	2.0
238.08688	0.9
239.08151	3.2
240.09044	5.1
241.09677	3.6
242.08209	4.3
242.10379	1.2
243.07646	5.5
243.11218	3.0
245.12852	2.5
255.11278	17.0
256.09515	1.7
257.09213	4.0
258.09924	0.9
259.11023	12.9
260.13071	1.2
270.09961	15.7
271.10730	16.7
272.11520	36.4
273.03854	1.4
273.12317	53.8
274.10574	2.2
282.44836	1.1
283.10730	15.4
284.09183	2.9
301.11816	100.0
302.12506	4.2
305.12637	1.2
319.04401	9.6
319.12964	34.6
319.16638	2.3
319.22958	1.6
320.05157	1.0
320.14865	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	318.2019
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.01865	1.1
55.05499	8.7
56.05028	1.4
56.96558	1.5
58.80886	0.8
60.04520	26.5
67.05512	0.8
68.53357	0.9
69.03442	0.8
70.02934	2.0
70.06585	6.4
71.14868	0.8
71.35696	1.6
72.08148	79.5
74.06078	1.5
77.47083	0.9
81.07071	1.0
83.08604	1.1
84.04507	1.5
84.08156	3.9
85.02883	1.0
86.09697	41.1
87.05585	16.8
88.04015	1.5
91.05495	1.7
95.08614	0.9
96.08135	2.1
97.06492	1.0
100.07584	1.6
105.07002	0.9
110.07195	1.3
110.74231	0.9
114.09160	19.2
116.01720	1.0
118.08649	1.6
120.08098	2.3
128.10690	2.6
129.10243	2.4
130.81290	0.9
132.10182	6.2
136.07600	1.9
137.05984	3.2
138.05418	1.0
147.04362	2.2
159.11279	100.0
160.11676	1.7
162.02226	1.4
164.90706	0.9
173.12856	32.3
187.10762	31.3
187.14349	5.2
201.12334	9.2
205.11739	1.0
210.14919	2.4
215.13908	1.5
216.12433	0.9
219.13338	4.2
228.16013	1.5
231.17076	2.4
272.11871	1.2
273.12225	1.8
274.16525	1.0
283.10541	1.0
283.18686	0.9
301.11865	5.3
318.20212	1.0
319.12814	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2062
Annotation	Tetrabenazine
Peak:m/z	Relative Intensity
53.03929	1.6
55.01853	3.3
55.05492	3.8
56.96555	1.9
57.03416	1.2
57.07052	1.4
60.04532	1.3
61.21651	1.2
65.03924	1.4
67.05167	1.4
67.05500	16.0
68.05016	2.1
69.07059	3.7
69.58427	2.1
69.58824	7.1
70.06579	4.2
71.04981	1.0
79.05491	17.9
80.05013	2.0
81.03353	1.4
81.07048	9.9
82.06580	1.2
83.08594	1.6
84.08118	1.0
88.07617	2.0
91.05477	11.4
93.07037	10.6
94.06551	7.7
94.19235	1.1
95.04947	5.0
95.08589	3.5
96.08132	13.3
97.06496	1.8
98.06048	1.1
105.07035	6.4
105.33781	1.0
106.06596	2.0
107.04975	8.5
107.08593	6.5
108.08096	3.2
109.05230	1.6
109.06533	1.8
109.10143	3.0
112.07613	5.2
116.98598	1.2
117.06972	2.7
118.06549	2.7
119.08590	3.9
120.08096	12.3
121.06502	2.6
121.10142	2.8
122.06035	6.4
123.08041	1.6
124.07575	1.9
131.08542	2.5
132.08063	1.4
133.06543	1.3
133.08913	1.0
133.10104	2.0
134.09578	2.3
134.99641	1.5
135.11635	1.5
136.07578	31.9
145.10031	1.5
146.09650	2.7
147.11674	2.2
148.07565	16.3
149.08348	5.7
150.09155	1.9
160.11221	1.7
162.09085	3.2
162.12675	1.7
163.11136	6.0
170.09622	1.9
174.09166	3.4
188.10674	2.0
272.20105	5.5
282.18445	2.9
288.19757	1.3
290.21078	3.6
300.19586	51.3
301.19745	1.4
307.97095	1.2
318.20618	100.0
318.30078	4.7
319.20953	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	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93993	2.5
56.05031	4.5
56.96557	7.6
57.03431	3.6
60.04511	4.6
61.02919	8.3
65.03936	3.3
69.03418	16.5
70.06589	20.7
71.04996	4.6
72.08147	15.4
72.93801	3.3
73.02903	5.5
79.83662	2.7
81.03410	5.2
83.06107	3.9
84.04475	22.5
84.08137	12.4
85.02897	47.8
85.08540	3.2
86.09702	100.0
86.10234	5.1
87.04419	2.9
87.05576	3.0
87.10008	3.8
88.03991	13.7
96.04489	7.3
97.02876	15.4
98.97595	5.0
99.04458	3.2
102.05526	9.3
109.02888	3.9
113.07051	3.3
115.08681	3.6
116.07095	4.5
116.98640	3.4
117.36275	2.7
119.01951	5.2
121.06506	31.9
124.03964	7.8
127.03904	16.4
129.10204	5.7
130.08646	12.1
132.10214	17.5
133.03487	4.2
134.99593	4.4
136.07677	2.9
138.05470	6.5
138.09090	5.2
141.06583	23.3
143.11800	3.4
145.04955	19.9
156.10208	9.3
159.07651	20.6
161.03001	3.1
174.00769	3.1
177.05972	3.8
180.08694	8.6
183.11238	4.7
187.07248	17.6
187.08856	3.9
201.12311	39.3
203.03946	6.6
205.08470	3.2
217.21330	2.8
229.11771	4.6
241.78818	3.0
247.12930	3.7
318.12103	5.3
318.15604	6.3
319.13651	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21530	0.3
53.03941	0.7
54.09605	0.3
55.01875	0.4
55.05496	1.3
55.93513	0.4
56.05013	0.3
56.96545	0.4
57.03429	1.5
58.99575	0.6
60.04525	0.7
60.57986	0.3
61.02909	1.2
67.05485	0.6
68.05029	0.3
69.03135	0.4
69.03432	4.4
69.07069	2.6
70.06593	3.1
70.07393	0.7
70.32088	0.6
70.32463	0.6
71.05000	0.4
72.08141	1.3
72.93776	0.3
73.02917	0.8
76.02222	0.7
79.05486	0.9
80.05010	0.3
81.03410	2.0
81.07040	1.0
82.06568	1.1
83.04977	0.5
84.04498	0.5
84.08128	1.2
85.02900	7.8
86.09704	2.7
86.99033	0.3
87.04461	0.7
87.05558	0.4
91.03979	0.3
91.05459	0.6
93.07037	2.2
95.07357	0.4
95.08596	1.4
96.04483	3.1
96.08112	2.5
97.02898	3.0
97.05283	2.2
97.06518	1.3
98.06059	0.6
99.04467	1.0
100.07613	1.4
105.07026	0.7
108.08109	0.4
109.02877	1.2
109.06503	0.7
110.06036	7.1
110.07153	0.4
110.09669	3.9
111.08080	0.8
112.07571	0.3
115.03242	0.5
116.01668	1.8
119.01956	0.3
120.08098	2.0
121.06495	0.9
122.09663	0.3
123.06857	0.4
125.08350	1.0
126.09150	7.7
127.03904	1.3
129.10274	0.4
130.06554	0.4
138.09132	21.0
139.07507	1.6
139.09561	0.4
140.10684	1.4
144.01106	0.8
145.04942	0.9
152.10683	0.6
156.10191	100.0
157.10551	1.6
159.03215	0.4
162.02145	2.3
168.10251	1.2
173.12851	2.0
176.04665	0.7
177.04417	0.3
180.10204	0.8
192.07768	0.4
198.11198	0.7
222.11238	0.6
234.09058	0.3
268.74747	0.3
301.12003	0.7
318.11725	0.3
318.15356	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	318.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55101	2.1
55.01869	9.0
55.05495	7.6
55.33897	2.3
56.05028	4.0
57.03427	9.1
60.04520	3.5
69.03400	4.5
69.04533	2.8
69.07075	5.8
70.04070	10.6
70.06580	8.8
70.40881	10.1
71.01360	5.0
71.02481	13.8
71.04854	3.5
72.05646	2.5
72.08154	72.7
73.02922	8.3
77.33460	2.1
84.04514	14.8
84.05583	2.4
84.08130	11.7
85.02900	10.3
86.09704	100.0
88.05116	3.5
89.03503	8.0
96.01982	3.4
96.04514	2.6
97.02885	7.5
97.05132	6.9
98.03540	33.7
98.05954	7.0
99.04303	3.5
99.06623	2.1
100.05104	8.2
102.05534	8.2
108.04334	7.5
109.05120	5.7
110.03533	5.1
110.07136	2.5
112.05064	2.6
113.04580	3.9
115.03939	5.0
115.06174	23.7
118.08649	5.4
124.03838	5.9
125.04582	7.0
125.06976	69.4
126.05376	26.8
126.07780	15.8
127.06162	5.4
129.10246	4.3
130.04991	7.2
133.04958	7.4
136.06194	32.1
136.07254	3.3
137.04570	8.6
138.05501	10.1
140.04555	4.1
141.04066	8.3
141.06471	10.9
142.04849	3.4
142.38150	3.0
143.05634	48.7
143.11812	6.3
145.88217	2.1
148.06129	2.4
148.07994	2.6
152.03328	2.2
152.05684	7.4
153.06451	47.0
153.07651	3.4
154.07224	32.8
155.08202	2.5
156.06612	2.9
157.04881	4.9
157.13342	22.3
158.06769	3.1
159.07622	2.7
164.05682	4.7
168.08798	3.0
169.05984	4.5
170.06740	3.5
171.11287	3.2
171.14975	9.7
173.09270	3.3
177.08755	7.8
182.06801	9.7
185.12901	4.1
185.16483	12.5
186.06226	26.3
186.09827	2.8
189.12433	3.1
196.08336	3.4
199.14410	5.6
201.12326	4.7
211.07057	4.1
213.16000	2.8
228.87703	2.3
257.11142	11.5
275.09760	4.8
285.10587	12.2
288.12851	3.5
318.10156	2.6
318.14014	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.4
56.96557	1.3
57.07066	12.4
58.06585	2.3
59.04983	2.8
67.05502	21.3
69.03424	2.2
69.07062	3.9
70.06586	23.0
70.54913	4.2
71.08628	4.0
71.24023	1.2
72.08153	1.6
73.05082	1.0
76.23410	1.1
79.05493	5.2
80.71436	1.1
81.03430	1.3
81.07047	12.2
83.08588	1.3
85.06525	1.4
85.10168	1.6
88.07085	2.1
88.07625	35.4
88.08143	2.4
91.05445	8.4
93.07038	6.0
95.04950	10.0
95.08594	5.9
97.06518	4.1
97.56757	1.2
102.09178	19.1
104.12399	1.2
105.07015	8.9
107.08591	15.6
109.06523	7.5
109.10149	33.2
111.08134	1.2
117.07020	2.7
119.08568	25.4
121.06488	1.5
121.10149	3.5
123.08032	9.8
129.06982	1.7
131.08594	3.0
133.10107	3.4
134.99672	1.6
135.08066	4.3
135.11679	1.8
137.09602	26.6
139.07539	1.2
139.95903	1.3
143.08516	2.0
145.10133	4.0
146.11713	1.6
146.39299	1.3
147.08014	1.7
147.11691	1.8
149.02451	1.3
149.09663	2.0
150.11237	1.9
151.07526	22.8
153.01797	1.3
157.10158	1.9
159.11652	1.8
161.09618	5.0
163.11206	2.3
165.09142	2.5
171.11685	3.2
173.13261	1.5
177.09096	2.1
181.08615	2.2
183.11600	1.7
187.11044	1.7
189.12720	8.9
191.10637	1.8
191.14383	1.2
197.13292	1.8
203.14301	1.3
207.13824	8.0
215.14276	1.6
237.14731	2.0
243.13863	4.2
256.26318	53.4
261.14749	2.1
288.92078	2.3
299.20047	4.0
300.29031	3.0
317.06555	3.5
317.21094	25.5
317.28928	1.6
318.30005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01859	1.5
55.05505	4.9
56.96545	1.9
57.07056	0.6
59.05025	0.7
65.03938	1.6
65.64502	0.6
67.05495	8.7
68.99787	1.1
69.03416	3.7
69.07063	4.4
70.06573	2.5
71.04986	2.4
72.08144	1.5
72.93792	0.6
79.05484	8.2
81.03407	3.8
81.07050	12.0
83.04965	2.7
83.08601	1.2
84.08145	0.8
85.06524	1.5
86.09698	1.5
91.05478	9.8
92.02586	3.7
93.03390	3.0
93.07032	13.6
95.04959	5.0
95.08598	7.7
97.06513	4.7
97.10139	0.6
99.08096	0.7
103.05432	1.3
105.04501	0.7
105.07024	13.8
107.04980	0.9
107.08587	13.1
109.02876	4.1
109.06496	2.8
109.10147	7.3
111.00800	0.8
111.04433	0.9
111.08069	1.5
116.98630	0.8
117.07011	2.7
119.04954	1.1
119.08567	13.1
120.08120	1.0
121.02826	3.1
121.06497	2.3
121.09309	0.9
121.10131	12.7
122.09664	4.0
122.10426	1.2
123.08051	9.8
123.11657	1.1
125.05930	1.3
125.09583	1.8
126.03119	0.9
127.11234	1.1
129.06982	1.3
131.08548	4.9
133.06386	0.9
133.10112	9.3
135.08046	3.5
135.11671	2.6
137.02301	1.0
137.05975	1.9
137.09589	5.2
139.03868	1.6
142.07748	1.7
143.08545	2.6
145.06454	0.8
145.10121	5.0
147.08069	1.7
147.11684	6.2
148.15735	0.8
148.78175	0.6
149.09607	9.9
150.10420	0.9
151.03876	1.9
151.07530	1.3
151.11171	2.1
153.01808	20.9
155.08537	0.9
157.10112	4.7
158.74493	0.8
159.08041	1.2
159.09273	0.7
159.11647	2.7
161.09612	3.5
161.13257	2.5
163.11147	2.6
165.09186	1.6
169.10114	1.3
171.08047	0.8
171.11647	2.2
173.05803	0.8
173.09607	1.2
173.13237	2.5
175.11171	2.8
175.14821	6.2
177.05415	0.8
177.09021	1.4
178.04970	5.4
183.11751	1.0
185.09621	0.6
185.13243	2.6
187.03845	0.8
187.14871	0.8
188.61757	0.7
189.12747	4.4
191.03516	0.7
191.10597	0.8
193.12199	1.8
195.11702	1.0
197.13300	1.8
199.14833	2.4
200.04646	1.2
201.05339	1.6
201.12814	0.9
201.16525	0.8
203.03448	1.8
203.14328	1.5
211.14862	0.9
213.12735	1.6
217.04973	4.3
217.15865	2.4
218.05760	1.9
219.02946	1.0
228.04224	3.1
229.04936	6.3
229.15823	1.5
231.02901	1.2
231.13780	1.1
245.04523	3.9
246.05080	3.6
252.51311	0.7
253.19489	1.1
257.04611	3.6
257.18878	0.9
260.03177	1.0
261.04221	0.9
271.20483	2.3
273.03860	4.0
274.04678	8.1
281.18979	0.7
284.03265	0.9
285.03864	6.0
289.03320	1.0
299.19992	3.5
302.04184	22.2
303.04602	1.9
317.06525	100.0
317.21054	10.7
318.06845	8.3
318.21335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
55.01865	4.3
55.05513	14.9
57.07066	7.6
59.04993	6.5
59.07424	2.3
60.04525	9.9
65.03924	3.3
67.05499	69.1
69.03416	5.2
69.07057	6.3
70.34717	7.9
70.93926	1.7
71.04997	2.6
79.05495	13.7
81.03432	1.9
81.07051	37.4
83.04968	3.9
83.08602	3.3
85.06535	3.7
91.05482	19.1
93.07037	25.2
95.04356	2.7
95.04961	36.0
95.08588	29.2
97.06533	8.2
105.07019	22.4
107.07858	3.0
107.08582	49.6
109.06502	20.8
109.10148	100.0
110.10498	2.6
111.04417	2.7
117.07004	7.4
119.08569	66.2
121.06472	6.9
121.10157	9.5
123.08059	31.1
125.05932	3.9
131.08568	6.9
133.06506	6.1
133.10080	11.7
135.08035	14.1
135.11659	3.8
137.05988	3.0
137.09607	83.1
138.09993	2.1
139.07492	2.3
143.08548	4.9
145.10081	10.7
147.08003	7.8
147.11658	5.2
149.09596	7.2
151.07527	79.0
153.05450	7.1
156.09290	2.3
157.10138	4.5
159.07994	3.3
159.11682	5.0
161.09566	10.5
161.13257	2.6
163.07591	3.8
163.11171	8.3
165.09123	10.1
167.07069	2.9
171.11647	7.8
173.09584	5.2
173.13275	4.6
175.11176	3.6
177.09175	5.7
177.12701	2.7
179.10693	2.4
181.08624	5.9
181.12242	3.2
182.10846	2.8
183.11702	3.4
185.13298	2.0
189.12720	37.9
191.14273	2.5
197.11636	1.9
197.13177	2.5
199.11259	3.3
201.12753	2.5
202.07590	1.9
203.14290	3.2
207.13763	33.5
215.14326	5.0
219.13806	2.1
221.15309	4.5
225.12695	2.9
233.15323	3.9
237.14890	9.0
239.18011	2.1
243.13800	12.3
257.19061	2.4
261.14835	4.0
281.18936	2.4
299.20020	14.3
317.06497	2.0
317.21112	89.4
317.28842	6.3
318.21368	7.3
318.30035	2.2
335.20294	2.0
339.51373	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	317.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.1
56.05027	4.1
56.96564	6.4
68.05022	0.8
69.03438	1.4
69.07063	5.6
70.06585	8.0
71.53138	0.8
72.08148	11.9
74.02077	0.6
74.02440	3.5
74.06098	0.8
75.05589	1.0
83.06097	3.0
84.04501	6.0
84.08137	100.0
84.96029	0.7
85.02894	2.2
85.06520	1.0
86.09698	73.2
87.05588	6.9
88.03971	1.6
90.05543	2.4
97.85326	0.7
98.97586	1.6
101.10786	3.6
102.05532	11.3
102.09178	1.1
107.04945	0.9
110.06023	1.2
110.07172	0.7
111.09192	0.9
112.07578	0.7
114.09148	1.1
116.00234	0.6
116.03426	1.0
116.98640	1.6
119.01918	1.1
119.04920	1.3
123.05632	0.7
127.03928	0.8
127.08655	0.8
128.02283	0.7
128.98621	1.0
129.10231	42.5
130.04997	3.5
130.08638	2.2
131.00163	1.0
131.01900	0.7
132.10211	0.6
133.06082	25.4
134.99670	1.3
136.07481	0.7
138.05496	10.6
138.09138	0.8
139.08661	1.2
141.06599	0.7
141.10243	1.7
143.11790	2.9
145.57478	0.6
146.99652	1.7
147.04439	1.9
147.07649	4.4
147.11293	1.8
149.01221	1.0
149.02937	1.0
152.05701	0.9
152.07057	0.7
153.06473	1.6
155.11778	1.0
156.06531	4.1
157.13351	35.7
161.01146	1.1
165.00722	1.0
169.06102	0.9
169.09711	1.1
170.04390	1.4
177.00652	1.5
182.12906	2.2
183.11285	2.6
185.12837	11.0
186.08696	0.7
186.12292	3.0
187.07179	1.2
187.10780	0.9
189.00671	0.6
189.12367	1.6
190.98613	1.1
191.03949	0.8
193.00249	1.6
197.16507	1.7
200.13914	1.2
204.09805	1.8
204.13290	3.0
210.12372	1.0
211.10533	0.8
219.03461	0.8
227.06841	1.5
237.02773	0.9
246.14510	1.1
275.02551	0.9
276.07620	1.0
289.03632	0.6
299.17078	2.1
299.20493	0.9
300.15762	0.6
300.19171	1.6
317.12073	2.6
317.18851	1.5
317.21860	20.4
319.39822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03927	2.5
55.01867	4.1
55.05507	15.8
57.07064	9.4
59.04992	4.7
65.03938	3.8
67.05171	3.3
67.05502	62.9
69.03415	8.7
69.07056	7.3
70.06585	4.1
71.04958	3.7
71.12203	3.7
71.12541	3.3
79.05482	13.6
81.07056	31.9
83.04962	5.1
83.08621	4.5
85.06537	7.0
87.04465	2.7
88.07632	3.7
91.05472	20.7
93.07043	23.4
95.04428	3.5
95.04970	34.1
95.08595	28.0
97.06522	7.6
103.00792	2.2
105.07033	17.3
107.08587	52.1
109.06504	22.0
109.10151	100.0
117.06993	5.7
119.08567	65.8
121.06525	6.9
121.10120	13.4
123.08045	30.8
123.11665	2.7
125.05965	2.8
131.08574	7.5
133.06485	4.6
133.10132	12.8
135.08098	14.8
135.11668	4.8
137.09608	79.6
139.07487	3.9
143.08560	7.6
145.10083	13.0
147.08046	4.7
149.09569	5.9
151.07529	72.9
153.05467	7.0
155.08533	3.3
156.09338	3.0
157.10062	5.8
159.07954	2.7
159.11636	6.0
161.09584	12.8
163.11153	5.7
165.09122	9.6
167.07031	4.2
171.11725	9.3
173.13245	3.5
175.11174	3.2
177.09102	7.4
179.10686	3.3
181.08568	5.9
181.12114	2.9
183.11546	3.5
187.11171	3.5
189.12741	32.2
191.14294	3.7
199.11180	4.5
199.20679	2.5
201.12744	3.4
203.14287	5.1
205.12267	2.8
207.13751	31.6
215.14285	4.3
217.12129	2.7
221.15411	4.2
237.14912	9.1
243.13808	10.2
256.26358	3.2
281.19189	3.6
298.60181	2.3
299.19989	15.0
299.76880	2.4
317.21085	87.9
317.28760	3.3
318.21521	5.1
318.30017	6.6
327.30682	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01847	1.2
55.05498	1.4
56.05024	1.0
56.96555	1.1
57.03389	0.8
60.04516	2.0
61.02927	1.1
67.05500	1.2
69.03413	3.2
69.07058	5.5
70.06588	10.5
70.62829	0.9
70.63180	2.1
71.04990	1.3
72.08154	10.6
73.08472	3.1
79.05499	1.2
80.22852	0.9
80.55766	0.9
81.03411	1.8
81.07034	2.6
83.04963	0.8
83.08636	0.8
84.04484	2.9
84.08144	9.6
85.02895	3.4
85.06540	1.0
85.65682	0.7
86.09209	1.7
86.09702	20.7
87.10028	5.6
88.03961	0.9
90.94815	0.7
91.05468	1.4
93.07058	0.7
94.06524	0.7
95.08627	1.4
97.02902	1.8
97.06519	1.9
99.04456	2.2
100.91896	0.7
104.39169	0.7
107.04970	0.9
109.02808	1.0
109.06484	1.5
109.10146	2.4
110.07147	1.1
111.04453	1.0
115.03966	0.8
115.07555	1.5
116.07101	5.8
116.98627	1.0
117.07461	2.3
120.08114	1.7
121.02820	0.8
121.06534	1.0
124.07565	1.5
127.03892	2.5
129.10185	3.6
130.04959	1.0
130.06538	1.0
137.05956	2.4
140.09509	0.8
143.11797	1.2
147.04459	1.8
150.96843	0.8
154.08710	1.0
155.06879	21.7
155.08815	0.8
159.06509	1.4
171.11200	0.9
171.14993	1.5
172.15247	2.3
173.12857	2.6
174.13232	1.4
185.04192	12.3
186.12512	0.9
188.12833	1.9
191.01646	0.8
199.17992	1.3
200.18394	3.3
200.69135	0.9
201.00703	1.1
203.05281	6.3
204.14052	1.0
216.12177	1.0
217.12703	1.8
221.04958	1.2
228.17830	1.4
258.08600	1.1
271.10806	1.3
287.10483	4.0
299.05838	0.9
299.10315	3.8
300.10254	0.9
309.40036	0.8
317.12054	100.0
317.15588	9.3
317.21225	3.8
318.12384	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	317.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08442	0.6
54.72773	0.7
56.05018	1.1
56.96562	1.3
58.56024	0.6
58.85421	0.6
60.04519	0.6
61.38455	0.6
69.03429	2.0
69.07057	5.0
69.86736	2.3
69.87144	1.6
70.06593	5.3
72.08152	4.1
74.06068	0.6
81.03429	1.7
81.07065	0.7
84.04497	1.3
84.08139	4.7
85.02898	2.2
86.09714	5.5
98.97557	0.7
101.00874	3.5
101.07136	1.6
102.05545	0.9
107.04950	0.9
109.02861	0.9
110.07175	1.3
115.07568	1.4
116.98573	0.9
117.03763	0.8
119.01909	19.0
119.08530	0.8
121.30658	0.6
127.03893	0.9
129.06651	1.3
129.10243	2.6
131.01886	4.2
132.10228	1.2
137.02954	4.4
143.01913	4.3
143.11804	1.6
149.02942	1.3
155.06773	5.5
161.02936	10.0
173.03006	1.1
184.04718	0.7
185.04291	2.2
189.12396	2.3
197.06508	1.0
203.05327	2.5
215.07614	10.5
221.05014	1.3
227.07643	1.3
231.05141	1.2
233.08771	2.3
245.08899	1.2
257.08835	3.2
299.10211	0.8
317.12061	100.0
318.12393	1.9
335.11859	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	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	0.1
55.05490	0.3
55.48663	0.1
56.96549	0.2
57.03390	0.1
65.03928	0.9
67.05487	0.3
68.99775	0.7
69.03423	0.3
69.07042	0.2
70.06579	0.2
71.04955	0.1
71.60043	0.1
72.08134	0.3
75.12774	0.1
79.05495	0.3
81.03407	0.3
81.07038	0.6
83.04952	0.2
91.05482	0.3
92.02619	3.4
93.03398	3.2
93.07024	0.4
93.82227	0.1
95.04953	0.3
95.08575	0.3
97.06509	0.3
99.88306	0.2
105.07047	0.3
107.04939	0.2
107.08582	0.4
109.02861	0.5
109.06493	0.2
109.10136	0.3
110.03640	0.1
111.00764	0.4
111.04381	0.2
117.07000	0.2
119.08567	0.2
120.02116	0.2
120.08086	0.1
121.02859	2.5
121.06518	0.2
121.10139	0.2
122.05934	0.1
123.04427	0.2
124.05258	0.2
126.03092	1.1
131.04898	0.2
131.08548	0.3
133.02820	0.3
133.10110	0.3
135.04414	0.3
137.02322	0.5
137.05965	0.2
137.09593	0.2
139.03885	1.4
143.00166	0.1
145.06390	0.2
145.10071	0.2
149.09647	0.2
150.03076	0.1
151.03873	1.7
151.04955	0.2
152.01053	0.2
153.01813	18.5
154.02217	0.2
155.04890	0.4
157.10136	0.2
161.06013	0.3
161.09677	0.2
163.03867	0.3
163.11142	0.2
165.01811	1.2
166.02583	0.3
170.02061	0.2
171.11739	0.2
172.05185	0.1
173.05965	0.4
176.04695	0.2
177.01961	0.1
177.05428	0.6
179.03380	0.3
183.02853	0.4
183.04416	0.4
184.07874	0.1
187.03938	0.3
189.05482	0.2
190.06337	0.2
191.03490	0.2
192.04056	0.2
200.04628	0.7
201.05423	1.5
203.03383	1.2
204.04156	0.3
205.05040	0.2
217.04938	3.9
217.15819	0.1
218.05714	1.6
219.02881	0.6
228.04144	3.9
228.06393	0.3
229.04929	7.6
230.05452	0.2
231.02864	1.2
232.03528	0.2
233.04485	0.3
243.02856	0.2
243.06467	0.2
245.04439	3.9
246.05185	3.2
247.02365	0.2
255.06267	0.1
256.03610	0.6
257.04428	5.0
258.04883	0.2
260.03018	0.8
261.07513	0.5
271.06012	0.4
273.03894	4.0
274.04691	7.4
275.05087	0.2
281.19043	0.1
284.03131	0.9
285.03912	8.5
286.04507	0.4
287.01813	0.2
288.06284	0.3
299.20108	0.2
301.03336	0.4
302.04181	22.9
303.04471	0.6
317.06516	100.0
318.06924	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	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01868	0.2
55.05511	0.3
56.96555	0.8
57.03423	0.3
62.45444	0.2
62.77145	0.2
65.03925	1.0
67.05486	0.5
68.99783	0.8
69.07067	0.3
71.04986	1.5
71.40356	0.3
79.05499	0.4
81.03389	0.3
81.07035	0.4
83.04971	0.5
84.08136	0.3
85.02885	1.6
86.09679	0.3
92.02624	3.7
93.03401	2.9
95.04979	0.3
97.02890	1.1
98.97572	0.4
105.07014	0.4
109.02883	0.3
109.06452	0.3
109.10170	0.3
111.00771	0.3
111.04425	0.3
114.21240	0.2
116.98554	0.3
117.05587	0.2
121.02835	2.5
122.03670	0.3
126.03099	0.9
128.98589	0.3
129.05464	0.3
133.10144	0.3
135.04387	0.3
137.02350	0.6
139.03894	1.6
141.05402	0.3
145.06497	0.3
150.03082	0.3
151.03926	1.6
152.01056	0.3
153.01817	17.5
155.04935	0.2
161.01283	0.3
163.03931	0.5
165.01852	0.9
166.02563	0.5
170.02081	0.4
173.05962	0.4
177.05476	0.6
177.64317	0.2
179.03380	0.4
190.06259	0.2
200.04654	0.7
201.05502	1.5
203.03444	1.5
204.04120	0.5
217.04968	3.3
218.05708	1.1
219.02853	0.8
228.04172	3.6
229.04944	7.7
231.02910	1.1
232.03632	0.3
239.03284	0.2
245.04460	4.5
246.05228	3.1
253.03590	0.6
255.17747	0.4
256.03680	0.5
257.04440	5.2
260.03137	0.6
261.07642	0.4
262.04004	0.4
271.06030	0.5
273.03922	3.4
274.04709	7.4
275.05109	0.3
284.03137	0.7
285.03922	8.2
287.05444	3.2
288.05981	0.7
301.03516	0.4
302.04193	22.9
303.04477	0.6
317.06534	100.0
318.06912	2.2
325.00284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.2
55.01863	0.3
55.05505	0.4
57.03410	0.2
62.57225	0.2
65.03938	1.0
67.01845	0.2
67.05493	0.4
67.84998	0.2
67.88492	0.2
68.99773	0.5
69.41608	1.9
70.06578	0.3
72.08157	1.2
72.40817	0.2
72.85880	0.2
73.08469	0.2
73.52924	0.2
73.90841	0.2
79.05484	0.3
81.03417	0.3
81.07029	0.4
83.04951	0.3
85.02896	0.3
86.09693	0.4
91.05470	0.5
92.02619	3.4
93.03404	2.7
93.07003	0.3
93.56079	0.2
95.04952	0.4
95.08614	0.4
97.02878	0.2
102.27804	0.2
105.07014	0.4
109.02867	0.7
109.06500	0.3
111.00767	0.5
119.08515	0.3
121.02841	2.2
121.06423	0.2
121.10119	0.4
122.03670	0.3
123.04520	0.3
123.08022	0.2
126.03114	1.1
129.10329	0.2
133.10130	0.3
136.07576	0.5
137.02325	0.6
139.03911	1.2
143.11758	0.6
144.12128	0.3
145.10083	0.3
146.11742	0.4
146.97433	0.2
149.09660	0.2
151.03876	1.4
153.01816	18.6
157.61717	0.2
163.03899	0.5
163.69942	0.2
164.07100	0.4
165.01822	1.1
173.05959	0.5
177.05510	0.5
179.03368	0.3
183.02847	0.3
183.04315	0.3
190.06256	0.2
197.48378	0.2
200.04681	0.9
201.05434	1.6
203.03371	1.4
215.03337	0.3
217.04945	3.6
218.05759	0.9
219.02907	0.6
228.04137	3.5
229.04941	7.5
231.02907	1.1
232.03688	0.4
243.06526	0.4
245.04417	3.9
246.05174	3.4
254.17540	0.3
255.17796	0.6
256.03598	0.8
257.04419	4.2
257.08795	0.3
258.04938	0.3
260.03131	0.7
261.07526	0.5
271.05923	0.4
273.03906	3.8
274.04706	7.2
281.12979	0.3
284.03137	0.9
285.03906	8.5
286.04596	0.4
288.06256	0.3
299.20386	0.4
301.03394	0.6
302.04187	22.9
303.04523	0.5
317.06525	100.0
318.06918	2.0
339.28922	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	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03925	0.1
55.01862	0.2
57.44062	0.1
61.54165	0.1
65.03922	0.9
67.01867	0.2
67.05489	0.3
68.99779	0.5
69.03439	0.2
69.07022	0.1
69.65136	0.1
70.85036	0.1
70.85377	0.2
71.04983	0.1
79.05466	0.1
81.03405	0.2
81.07055	0.3
82.04159	0.1
91.05463	0.2
92.02035	0.2
92.02615	3.4
93.03399	3.1
93.07048	0.3
94.04186	0.1
95.01318	0.1
95.04953	0.2
95.08575	0.2
97.06514	0.2
105.03374	0.1
105.07018	0.2
107.08579	0.2
108.02061	0.1
109.02877	0.4
109.06506	0.2
109.10149	0.1
111.00800	0.4
111.04380	0.1
117.06987	0.1
119.04971	0.1
119.08587	0.2
120.02053	0.2
121.02859	2.3
121.06470	0.2
121.10118	0.2
122.03630	0.3
123.04392	0.2
124.01523	0.1
124.05170	0.1
126.03126	1.3
128.06163	0.1
131.08554	0.1
132.45222	0.1
133.02841	0.1
133.10092	0.2
137.02341	0.7
139.03879	1.8
145.02759	0.1
145.06473	0.3
145.10167	0.1
147.04376	0.1
149.02293	0.2
149.09587	0.1
149.36861	0.1
150.03087	0.2
151.03906	1.4
151.05022	0.1
151.07549	0.1
152.01065	0.1
153.01810	20.1
155.04935	0.4
159.04468	0.1
159.11761	0.1
161.05962	0.3
161.09641	0.1
163.03925	0.4
165.01826	1.1
166.02567	0.4
170.02094	0.3
172.05208	0.2
173.05986	0.4
176.04723	0.2
177.05492	0.5
179.03387	0.4
183.02879	0.3
183.04442	0.2
186.03069	0.1
187.03984	0.2
189.05434	0.2
190.02647	0.1
190.06197	0.2
191.03348	0.2
192.04106	0.2
193.01280	0.2
199.03784	0.1
200.04655	0.8
201.05467	1.7
203.03346	1.9
204.04138	0.3
207.48933	0.1
211.03804	0.1
213.05536	0.1
215.03380	0.1
217.03156	0.1
217.04932	3.4
218.05745	1.5
219.02936	0.8
228.04152	4.2
229.04933	8.4
230.05540	0.2
231.02826	1.2
232.03656	0.2
233.04333	0.1
239.03419	0.3
243.02924	0.1
243.06427	0.3
245.04431	4.1
246.05199	3.4
247.02414	0.2
256.03717	0.6
257.04428	4.6
258.05164	0.2
259.02524	0.1
260.03137	0.8
261.07605	0.4
271.06049	0.3
273.03915	3.7
274.04681	7.5
284.03156	0.9
285.03915	7.7
286.04520	0.4
287.01862	0.3
288.06232	0.3
299.05289	0.1
299.20255	0.2
301.03476	0.5
302.04178	22.9
303.04532	0.4
317.06516	100.0
318.06873	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	317.0654
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
53.03938	0.4
55.01857	0.9
55.05490	0.9
56.96557	0.6
57.03426	0.5
57.07069	0.3
65.03924	0.8
66.14500	0.3
67.05502	2.1
68.99767	0.7
69.03429	1.2
69.07063	1.2
70.06564	0.5
70.21209	0.6
70.21617	0.8
71.04990	0.9
72.08142	0.5
73.02892	0.2
79.05476	1.1
81.03399	1.0
81.07050	2.1
82.79546	0.2
83.04990	0.3
83.08604	0.3
85.02886	0.6
85.06519	0.4
86.06068	0.4
86.09706	2.2
87.10019	0.6
91.05466	1.7
92.02625	3.1
93.03407	3.0
93.07040	2.2
95.04955	1.4
95.08607	2.4
96.08968	0.3
97.02863	0.6
97.06522	1.2
97.10168	0.3
98.97533	0.3
99.08054	0.3
103.05434	0.3
105.07024	2.2
107.04930	0.7
107.08587	2.0
109.02874	0.8
109.06528	0.6
109.10160	1.8
111.08122	0.4
116.10667	0.5
116.98718	0.2
117.06995	0.4
119.08573	1.7
120.08145	0.3
121.02873	2.2
121.06479	0.9
121.10149	1.2
122.03687	0.4
123.08049	0.7
123.11673	0.3
125.09575	0.3
126.03121	0.9
126.67381	0.2
127.03848	0.3
129.06981	0.4
131.08549	1.0
133.10110	1.6
135.08028	1.0
135.11681	0.4
137.02390	0.6
137.05940	0.7
137.09612	1.1
139.03882	1.4
142.07735	0.5
143.08562	0.8
143.10689	0.6
143.11815	0.6
144.12025	0.2
145.06483	0.6
145.10088	1.4
146.11760	1.0
146.97429	0.3
147.08011	0.8
147.11684	0.7
149.09598	0.7
151.03920	1.7
151.07530	0.3
153.01816	17.3
157.10133	0.7
159.08067	0.4
159.11658	0.5
161.05989	0.4
161.09639	1.2
161.13205	0.5
163.03961	0.6
163.11130	0.4
165.01819	1.2
165.09100	0.6
166.02675	0.4
169.10130	0.3
170.02202	0.4
171.02858	0.3
171.11708	0.5
173.05962	0.4
173.09579	0.6
173.13225	0.4
175.08742	0.3
175.11153	0.6
175.14778	0.4
177.05429	0.5
177.09178	0.3
179.03470	0.5
183.02847	0.5
185.13246	0.6
187.03885	0.3
187.14871	0.4
191.03313	0.4
191.10667	0.3
194.02167	0.4
197.13217	0.3
199.14813	0.4
200.04681	0.7
200.12799	1.1
201.05554	1.7
201.10406	0.3
201.13086	1.5
203.03331	1.6
203.05164	0.2
203.08052	0.3
206.18068	0.3
209.09698	0.3
211.14874	0.4
213.12732	0.8
214.18098	0.3
215.18307	0.6
217.04951	3.5
217.15964	0.3
218.05737	1.1
218.11922	0.3
219.02856	0.9
228.04128	3.9
229.04959	7.1
229.09677	0.3
231.02945	1.3
231.13782	0.6
232.03648	0.4
243.11459	0.5
245.04453	4.1
246.05241	3.1
256.03641	0.6
257.04431	4.9
257.09198	0.7
260.03125	0.7
261.03885	0.5
261.07684	0.4
271.05981	0.4
271.10748	0.5
271.20496	0.8
273.03867	3.4
274.04691	7.1
284.03125	0.9
285.03903	8.5
286.04364	0.3
287.01801	0.4
299.10086	0.8
299.20117	1.8
301.03430	0.6
302.04190	21.8
303.04507	0.5
317.06540	100.0
317.10818	3.4
317.20999	3.8
318.06952	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	316.2845
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03948	0.4
55.01871	0.4
55.05508	4.7
56.05031	4.3
56.96556	0.3
57.03433	1.0
57.07068	1.8
58.02942	0.4
59.04982	0.3
60.04521	100.0
60.53738	0.3
62.80351	0.4
67.05501	9.4
68.05025	0.7
68.95393	0.3
69.07068	5.3
70.04587	1.3
70.06589	1.2
71.04989	0.4
71.08631	0.9
72.04515	2.2
73.02903	0.4
74.06079	2.6
79.05486	4.7
80.05020	1.1
81.03421	0.7
81.07051	7.8
82.06590	1.6
83.04980	0.6
83.08617	3.7
84.04517	0.5
84.08124	0.3
85.06593	0.3
86.06081	0.8
87.04472	2.0
88.07626	0.5
90.05558	1.2
91.05475	3.0
93.07037	4.4
94.06573	0.9
95.04973	1.3
95.07369	0.4
95.08598	7.0
96.08151	0.7
97.06551	0.6
97.10178	1.4
100.07646	0.4
102.05541	0.4
102.09241	0.4
105.07024	2.5
107.08562	2.4
108.08105	0.4
109.06518	0.6
109.10156	4.6
111.08135	0.3
111.11700	0.3
112.07578	0.4
116.07079	0.5
116.98621	0.5
117.07040	0.3
119.08568	2.5
119.09308	0.4
121.10138	1.9
122.09657	0.5
123.08087	0.7
123.11741	0.9
131.08528	0.5
133.10127	1.2
134.99644	0.7
135.08116	0.3
135.11676	0.8
137.09579	1.5
142.27104	0.3
147.11674	0.8
149.13257	0.4
151.07555	1.2
161.09630	0.4
189.12827	0.4
207.13786	0.6
212.23755	0.6
219.21172	0.4
221.22844	0.3
245.22667	0.7
249.60867	0.3
250.23082	0.3
250.25182	1.6
251.23698	0.4
256.26364	0.9
262.25262	1.3
263.23547	0.4
268.26392	0.7
280.26331	11.8
281.26825	0.5
288.92093	0.3
292.94870	0.3
298.27402	11.1
310.95709	0.4
316.28448	31.6
317.06677	0.4
317.20917	1.4
317.28873	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	316.2229
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
55.01866	0.6
55.05294	0.4
55.05509	4.4
55.93525	0.5
56.05030	1.2
56.96552	1.4
57.03422	0.5
57.05803	0.5
57.07046	0.5
60.04524	3.9
61.02922	0.5
67.05491	1.3
69.03436	2.3
69.06714	0.7
69.07063	7.9
70.02969	0.6
70.06586	15.9
70.09699	2.8
71.06899	0.5
72.04501	0.5
72.08147	48.5
72.93784	0.8
73.08483	0.6
74.06076	1.2
76.84386	0.5
79.05485	1.0
81.03397	1.9
81.07047	2.1
82.06566	0.5
83.04968	0.8
83.06081	0.6
84.04504	2.2
84.08145	6.4
85.02871	2.5
85.06535	2.0
85.08472	0.7
86.09696	100.0
87.04463	0.7
87.05585	2.2
87.10031	1.4
90.94818	0.7
91.05460	1.4
93.07027	0.9
96.08109	0.7
97.02878	1.8
97.06551	1.1
98.20837	0.6
99.04429	3.4
102.09167	1.2
105.34518	0.5
107.04923	0.8
108.08115	3.3
109.02874	1.0
109.06464	0.7
109.10133	0.6
110.06031	0.6
110.07150	0.9
114.09215	0.6
115.03927	1.5
116.07080	24.1
116.98599	0.9
118.08578	0.6
119.04941	0.5
120.08113	1.5
121.08358	0.5
124.07587	2.6
126.05524	0.7
127.03963	1.1
127.08644	0.6
128.10699	1.3
129.10207	2.9
130.04968	0.5
130.06503	1.0
136.07565	2.6
137.06013	1.3
145.04973	0.6
146.05989	0.7
154.08614	13.7
154.09796	1.0
155.06760	2.8
158.97472	0.7
159.06499	2.8
159.07762	0.5
163.03911	0.6
171.14905	13.9
173.12851	12.6
176.09186	1.3
183.08011	1.1
185.04224	1.8
188.07104	0.7
191.01706	0.6
199.14383	7.5
199.18030	20.2
201.12389	2.6
203.05273	1.1
203.13876	6.9
205.09781	0.6
205.96680	0.7
207.08092	2.1
211.07513	0.5
213.10408	0.7
216.12308	6.4
217.15469	2.2
227.17531	7.9
229.05467	0.6
247.06294	1.1
253.08755	1.9
257.04825	0.6
269.98785	0.8
270.11646	0.7
287.10312	1.4
287.99881	0.8
299.10175	0.6
316.14673	1.4
316.21231	7.7
317.06488	1.2
317.11996	17.7
317.21500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2231
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
50.63685	0.4
52.26064	0.4
53.03952	0.4
55.01870	0.6
55.05518	0.7
56.05017	0.6
57.03430	1.0
60.04526	0.6
65.03938	0.4
67.05504	1.0
69.07068	0.9
69.51286	3.4
70.06583	2.5
71.04988	1.7
72.08163	1.5
73.02917	0.5
79.05495	0.7
80.05014	0.4
81.03419	0.5
81.07064	1.7
82.06569	0.6
83.04998	1.0
84.04510	0.6
84.08159	1.3
85.02894	1.9
86.09704	100.0
87.04491	0.6
87.10041	1.2
91.05486	1.4
93.03393	0.5
93.07029	0.8
94.06569	1.8
95.08607	0.7
96.08116	0.8
97.02887	1.0
97.06532	1.4
103.05422	0.6
107.08604	1.0
108.08118	1.3
109.02869	0.5
109.10159	1.0
110.09719	0.9
118.06560	0.9
119.04946	0.6
119.08565	0.5
120.08123	1.8
121.02892	0.4
121.06499	0.5
121.10114	0.5
126.86199	0.4
130.06560	1.1
132.10194	5.8
135.08080	0.5
136.07565	4.4
137.05971	0.5
137.07773	0.5
138.09148	1.2
139.09413	0.4
144.08002	0.6
146.06021	3.6
147.11638	0.4
148.07584	1.2
149.50052	0.4
153.01756	1.1
154.08633	1.2
157.07590	0.7
157.13361	56.5
158.06023	0.7
158.13657	1.6
162.05466	0.8
163.05840	1.1
164.07042	4.1
166.08630	3.3
172.70738	0.4
185.12852	23.1
186.13208	0.5
203.08241	0.8
203.13916	1.6
228.04222	0.6
229.04965	1.0
245.18542	2.7
259.11267	2.1
270.13095	0.5
271.09940	0.5
271.14423	1.0
272.18637	0.8
274.04688	1.0
289.03470	0.9
299.10623	0.8
299.13876	3.3
302.04184	1.8
303.04871	1.5
315.41861	0.5
316.13559	2.2
316.21344	0.6
317.02820	1.8
317.06503	10.7
317.10794	0.9
317.14517	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	316.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.05494	1.5
56.05030	0.8
56.96564	0.4
58.48801	0.5
67.05495	1.6
69.03420	0.8
69.06717	0.7
69.07066	6.9
69.28682	1.0
69.29086	3.8
70.06595	3.0
71.04985	0.8
71.48611	0.4
72.08150	3.0
74.06096	0.5
76.04016	0.8
79.05483	2.8
81.03413	0.8
81.07054	1.8
83.04995	0.8
83.08626	0.4
84.04494	0.6
84.08126	3.0
85.02859	0.5
86.09699	100.0
87.10037	1.5
91.05477	1.6
93.07040	1.4
95.04974	1.0
95.08604	1.2
97.02906	0.5
97.06527	11.3
98.06027	0.7
98.97566	0.5
100.07600	0.5
105.07012	0.6
107.08598	0.9
109.10179	0.6
109.59084	0.4
110.07162	0.5
114.05544	0.5
114.09193	1.0
117.06982	0.5
119.08587	0.6
120.08085	1.1
121.02814	0.5
121.10167	0.9
122.09582	0.5
123.08073	0.8
129.10239	2.1
130.06517	4.0
131.08524	0.5
132.10191	4.5
134.99678	0.6
135.08025	0.5
136.00162	0.4
137.06012	0.6
137.07086	0.5
144.08012	0.7
146.06006	0.7
150.05399	0.5
153.01901	0.5
154.08658	0.7
157.07608	5.5
157.13351	52.6
158.05951	1.1
158.13733	0.7
165.06650	0.9
175.07277	0.5
175.08760	0.6
185.07124	0.6
185.12842	17.1
186.13242	0.5
187.14859	0.5
191.50464	0.5
199.18056	1.3
203.08147	12.4
203.13947	1.6
245.18497	1.1
271.10669	0.7
298.12073	0.9
298.20148	0.5
299.10840	0.7
299.13873	3.1
316.13477	1.0
316.20523	0.5
317.06583	1.4
317.11569	0.9
317.14896	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.3
55.01831	0.5
55.04251	0.4
55.05476	1.5
56.05006	0.5
56.96535	0.8
57.03419	0.8
60.04496	0.5
67.05506	2.0
68.05013	2.5
68.99751	0.4
69.03390	1.0
69.05801	3.8
69.07027	1.5
69.36272	0.9
69.36671	2.9
70.06586	19.9
70.51028	0.3
71.04989	2.5
72.08147	3.1
77.44247	0.3
79.05498	1.8
80.05006	0.5
81.03416	2.2
81.04411	0.3
81.07051	2.6
82.06532	1.5
83.04921	0.9
83.07351	4.2
83.08572	1.2
84.04453	0.4
84.08131	4.0
85.02892	1.7
86.09693	3.2
89.03857	0.4
91.05474	1.7
92.02571	1.0
93.03392	0.9
93.07040	1.6
95.04926	1.0
95.08559	0.8
97.02850	0.6
97.06497	0.9
97.10130	0.6
98.09659	0.6
98.72217	0.3
98.97546	0.5
102.05482	0.3
105.06990	1.3
107.08550	1.4
108.08112	0.5
108.08910	0.3
109.02812	1.4
109.06495	0.5
109.10106	1.0
110.06049	0.4
110.09627	0.4
116.98558	0.6
117.07007	0.3
119.08555	0.8
120.08083	0.4
121.02822	0.9
121.06458	1.1
121.10123	0.7
122.06806	0.8
126.09106	1.4
129.06952	0.3
129.10220	0.5
129.91870	0.4
130.06468	0.4
131.08527	0.7
133.03432	0.4
133.10130	0.7
134.99634	0.8
135.07944	0.4
135.11604	0.4
136.07500	0.4
137.02234	0.3
137.05945	0.6
137.09555	0.5
142.08580	0.9
145.02823	0.4
145.10197	0.4
146.03186	0.5
146.11713	0.8
147.03273	0.5
147.11613	0.5
149.09578	0.5
149.51105	0.3
151.03860	0.4
153.00703	0.6
153.01816	5.7
154.08597	1.6
157.07536	0.5
157.10086	0.4
159.09163	0.4
161.01070	0.3
161.02846	0.7
177.05446	0.7
178.05751	0.8
179.06001	1.4
193.12195	0.7
201.05373	0.5
203.03380	0.6
207.08617	0.7
208.16998	0.6
211.13255	0.3
217.04898	1.3
224.16293	0.5
226.18021	3.5
228.04164	1.0
229.04935	2.0
236.16458	4.7
238.18118	2.7
245.04388	1.3
246.05246	1.0
254.17484	100.0
255.17914	1.6
256.19067	6.6
257.04459	1.6
273.03851	1.2
274.04681	2.3
285.03879	1.9
298.20102	42.2
299.20407	0.8
302.04181	7.7
303.05072	1.7
304.05222	0.5
316.05359	0.4
316.13995	2.0
316.21164	18.1
317.06525	33.7
317.21570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.4
55.93513	1.1
56.05009	3.3
56.96542	3.3
57.03425	1.3
57.07068	1.4
58.17968	0.9
60.04517	16.0
67.05498	2.5
68.05013	1.1
69.03410	3.6
69.07056	9.5
70.02950	1.9
70.06585	76.5
71.04965	1.6
71.06956	0.9
71.60076	1.2
72.08154	11.8
74.06053	2.5
75.42522	0.9
75.69549	1.0
81.03398	3.7
81.07031	2.2
82.06552	1.7
83.06084	2.4
83.08612	1.3
84.04495	7.7
84.08129	17.6
85.02888	2.5
85.06512	2.0
86.09695	67.7
87.05580	9.3
87.10028	2.4
88.03964	2.0
91.05483	2.2
93.07023	1.3
97.02878	1.3
99.04436	3.4
100.11230	1.2
101.07117	1.4
101.26308	1.1
102.05525	2.2
107.04890	0.9
109.02855	6.4
109.10181	1.0
110.07145	2.9
112.07571	0.9
112.08721	2.2
115.03911	1.8
115.08672	1.2
116.07080	100.0
116.98583	1.6
119.04913	1.9
119.07285	1.4
120.08065	2.4
127.03890	1.5
128.10709	4.3
129.10249	7.4
130.06532	3.0
132.08046	1.7
136.07549	1.8
138.98106	1.0
143.11775	1.4
144.07996	1.2
146.05974	1.1
150.05637	1.1
154.08539	1.4
155.06906	4.4
157.09709	1.6
159.06491	2.8
170.06017	1.6
173.12848	48.3
176.09111	1.6
183.07964	2.0
185.04219	1.5
185.09189	2.4
188.07027	2.8
199.18033	2.9
201.12285	9.1
207.08076	1.4
215.13881	1.5
216.12228	7.0
231.05019	1.1
253.08675	1.6
257.07791	1.3
270.07684	1.9
270.11581	3.1
298.07379	1.7
299.10480	1.1
316.12439	2.1
316.21390	7.5
317.07040	1.7
317.12048	17.9
317.15735	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	316.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54151	0.8
55.05503	2.6
56.05033	1.3
58.28428	1.0
60.04508	1.0
62.06087	2.6
64.28893	0.8
67.05505	4.0
69.07072	1.4
70.02930	1.1
70.06611	1.6
71.08628	14.8
71.20745	1.9
72.08146	2.8
73.18199	0.9
74.95010	0.9
79.05450	0.9
81.07052	3.8
84.04488	2.7
84.08134	1.4
85.02892	8.8
86.06064	3.7
86.09700	12.1
91.05479	1.3
93.03424	1.0
93.07053	4.5
95.07348	1.3
95.08600	22.3
96.08134	3.2
97.06519	1.9
98.09688	7.5
99.08080	5.9
100.07578	1.0
107.08636	1.1
108.08116	4.0
110.09656	3.4
111.08122	2.3
116.10725	25.5
120.73121	0.9
121.06525	2.9
122.09688	4.4
125.09699	1.1
126.09187	1.5
128.07114	0.9
136.11201	1.3
140.10683	2.1
142.12277	2.5
143.10690	21.1
143.11771	3.7
146.11816	4.2
153.01819	5.0
154.15889	1.3
164.10686	1.5
166.15866	0.9
175.10837	0.9
179.91075	0.9
182.11786	3.5
196.16969	2.9
200.12805	100.0
201.13145	1.5
214.18008	41.9
218.13878	11.2
228.04266	1.6
229.04953	2.6
245.04407	1.9
257.04724	1.2
274.04651	2.2
285.03876	2.3
298.20135	12.1
299.20148	1.1
302.04248	5.6
302.07477	0.8
316.21179	13.8
317.06528	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93518	0.6
56.05040	0.7
56.96555	0.8
61.18117	0.6
67.04237	4.1
69.78440	0.5
70.06590	4.2
70.92483	0.6
70.92806	0.9
72.08143	1.7
74.00661	3.1
74.06053	0.5
84.04514	1.2
84.08128	1.9
85.02900	0.8
86.09710	1.6
97.02837	0.6
98.97579	0.5
100.02197	100.0
101.02531	0.9
102.05553	1.1
104.28587	0.5
116.07120	1.0
116.98621	0.5
119.01941	0.9
129.10234	0.9
130.04984	1.3
132.01115	0.8
134.99626	0.6
151.26848	0.5
157.04333	2.6
158.02681	2.5
175.05386	1.8
203.04846	50.6
204.05211	1.2
213.06923	19.7
215.07733	0.8
221.02582	1.9
228.34917	0.5
261.47046	0.6
261.99042	0.5
316.09668	12.3
317.11905	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86320	0.7
55.01863	1.8
55.05509	2.8
56.05021	1.5
56.96547	1.3
57.07053	0.7
58.06566	0.5
60.04512	1.8
67.05482	1.4
69.03410	0.7
69.07053	0.8
70.06242	0.8
70.06590	9.2
71.59178	0.8
72.08157	5.6
74.06091	0.7
79.05486	1.7
81.03400	1.7
81.07047	2.5
82.03689	0.7
82.06551	0.8
83.04973	0.7
83.08588	1.6
84.04487	1.8
84.08137	6.8
85.02890	1.6
86.09689	7.5
88.03973	1.1
91.05467	2.2
93.07029	1.2
95.04971	1.3
95.08591	1.2
96.08134	0.6
97.02895	1.5
98.06051	0.8
98.97560	1.3
102.05518	1.1
102.09171	11.1
103.05489	0.7
105.07038	1.1
107.04945	0.9
109.02885	0.9
110.06027	1.2
110.07164	1.0
115.03944	1.0
116.07285	0.6
116.98615	0.7
119.04919	0.6
119.07301	2.0
120.08170	0.8
120.47487	0.6
123.11698	2.2
124.22521	0.6
126.05468	0.6
129.10210	2.5
130.06516	1.4
130.08621	5.9
130.43858	0.6
134.99660	1.6
136.07571	0.7
136.36894	0.6
137.05945	0.8
141.10173	1.2
147.04376	2.8
152.06094	0.8
153.06860	0.7
154.08641	1.6
155.08516	1.5
157.07529	0.6
158.05946	0.7
159.11275	1.3
165.06999	5.5
167.08478	0.9
169.09692	1.0
177.00874	0.6
178.07753	8.6
179.08546	52.1
180.08905	1.2
181.06496	2.9
182.07251	0.8
183.08043	43.1
189.06950	1.6
191.08589	1.6
193.08931	0.9
194.07237	3.0
195.08028	2.2
197.09607	1.3
206.07788	0.8
206.09671	4.6
207.08040	69.8
208.08702	4.2
209.09659	2.2
211.07509	4.3
211.13268	1.0
224.10687	14.3
225.09163	3.4
235.07541	6.6
239.06981	3.1
253.08583	44.9
254.08893	0.7
257.08066	32.5
270.11230	100.0
271.11633	2.7
281.07886	1.4
298.13843	0.7
299.09085	11.0
316.11621	12.3
316.20993	5.9
317.06366	0.8
317.11356	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	315.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01864	0.5
55.05506	6.3
56.05035	2.7
57.03419	0.3
64.02759	0.2
64.42006	0.2
65.03922	0.3
67.05500	1.8
68.05032	1.8
69.03419	0.8
69.07059	1.3
69.45105	2.1
70.06587	9.0
71.04995	2.4
71.06940	0.4
71.07346	0.6
72.08150	100.0
73.06537	0.4
73.08488	1.2
74.06039	0.3
79.05505	1.8
80.05001	0.7
81.03414	0.7
81.07069	1.7
82.06579	0.4
83.04982	0.4
83.08611	2.8
84.08147	1.2
85.06565	0.3
86.06078	0.5
86.09716	1.3
88.07627	2.1
91.05478	1.1
93.07036	1.1
94.06560	0.4
95.08622	0.6
96.08132	1.2
97.06499	0.4
97.10158	4.4
107.05017	0.2
107.08581	1.2
108.08105	0.7
108.08904	0.2
110.09674	10.9
119.04919	0.4
119.08598	0.4
120.08121	0.6
121.10188	0.3
125.09622	3.1
126.09161	0.5
127.12324	0.5
128.10710	8.8
129.07039	0.3
133.10068	0.3
135.08054	0.6
137.05975	0.3
138.09099	0.3
143.08372	0.3
147.04416	0.8
152.07089	0.2
161.05919	0.2
162.05545	0.5
173.09746	0.3
178.34114	0.3
181.06612	0.3
184.88098	0.3
189.11244	1.2
192.13901	0.4
195.07903	0.3
210.14899	0.7
223.15187	0.4
226.06221	0.4
248.47023	0.3
254.05821	0.4
255.11252	0.3
262.18091	0.3
265.05023	0.3
265.08493	0.4
269.08182	0.8
272.06757	0.6
280.19131	1.0
297.07666	1.8
297.18903	0.6
297.21793	2.4
298.19986	2.2
315.04886	0.4
315.08749	0.3
315.13437	2.2
315.20016	0.3
315.22800	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	315.1337
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
51.82411	0.2
53.03922	0.5
55.01847	0.4
55.05489	1.1
56.96555	0.3
57.03406	0.5
63.64863	0.2
65.03929	1.3
67.05495	1.6
68.05011	0.3
68.99766	0.5
69.03416	0.3
69.07047	0.5
70.06570	0.8
71.04971	0.4
71.06521	0.5
72.08131	0.9
79.05486	2.8
80.05015	0.7
80.05765	0.3
81.03397	0.7
81.05782	0.4
81.07030	1.0
82.06561	0.5
83.04977	0.5
84.04477	0.3
85.02891	0.4
89.03898	1.1
89.22931	0.2
91.05476	2.3
92.04975	2.3
93.05761	1.1
93.07034	3.1
94.06571	4.1
95.04955	1.5
95.07347	2.4
95.08582	0.9
96.07544	0.4
96.08120	5.1
97.02827	0.3
97.06525	1.0
97.10052	0.3
99.04446	0.6
103.05434	1.0
105.05740	0.7
105.07022	1.0
106.06551	2.1
107.04916	0.8
107.08578	0.8
108.08111	10.4
109.02851	0.4
109.08899	0.4
109.10154	0.8
110.06018	0.6
110.09674	9.5
111.04430	0.3
116.04965	1.0
117.03329	0.3
118.06559	0.6
119.08584	0.7
120.04457	16.8
120.08092	9.0
121.02976	0.2
121.06472	0.5
121.10083	0.6
122.06012	0.7
123.06805	0.7
124.07573	0.8
125.09579	0.3
126.09132	1.2
129.06949	0.3
131.08569	0.3
132.08072	0.4
134.05998	4.2
135.04366	0.4
136.07573	18.8
137.05972	0.4
137.09546	0.3
138.05481	2.1
138.09126	10.0
144.04431	1.2
145.10135	0.8
146.05904	0.3
148.07555	5.8
152.07025	0.7
154.08617	22.6
162.05492	100.0
163.05812	1.2
166.08632	20.7
167.08882	0.3
170.29425	0.3
174.05493	0.4
182.09572	0.7
183.09258	0.4
184.09946	0.9
191.10750	0.3
197.10796	0.4
198.11537	0.9
199.08571	0.6
199.12296	1.2
210.09041	0.3
210.11507	0.2
210.51167	0.3
211.08598	0.4
212.09431	0.9
213.10214	0.3
225.10249	0.6
227.11765	4.8
245.12787	0.6
251.11687	0.4
255.11330	3.5
259.11218	0.3
259.14377	0.6
269.09723	0.4
269.12827	4.3
273.12341	2.3
283.06433	0.3
283.09698	0.6
287.13892	1.8
297.12317	10.6
301.33615	0.3
315.13370	10.5
315.19083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1334
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
50.96309	0.7
53.03941	0.8
55.01868	0.7
55.05495	1.4
56.96551	1.4
57.03433	0.8
65.03919	0.8
67.05501	3.2
67.70428	0.7
69.07046	0.9
70.06577	5.0
71.07489	1.8
72.08139	2.8
79.05486	3.4
81.03390	0.8
81.07035	2.3
82.06538	0.7
84.04491	0.8
84.08127	1.8
86.09712	1.4
91.05486	3.4
92.04964	0.8
92.06253	2.6
93.07021	2.5
94.06564	7.6
95.04961	1.5
95.08594	1.3
96.08119	2.5
97.06509	0.8
103.05485	0.8
104.04980	10.4
105.07007	1.1
106.06512	4.1
107.07329	1.7
107.08530	0.8
108.04478	0.7
108.08092	2.0
109.10162	1.0
110.05988	1.2
116.05020	0.8
118.06509	3.9
119.04930	0.8
119.07322	5.5
119.08572	1.3
120.05681	1.2
120.08095	2.8
121.06519	1.1
122.06023	6.7
122.09715	1.6
124.03922	2.0
124.07590	13.1
129.07083	0.7
129.10225	1.0
131.08514	0.7
134.06009	1.3
136.07556	1.5
138.05461	2.5
146.05969	3.6
147.06789	8.0
147.07893	1.1
148.07571	3.5
150.05467	3.2
150.09108	0.8
152.07109	3.1
158.09596	0.7
162.05475	1.8
164.07062	4.2
165.07861	1.7
166.08699	3.9
168.06555	17.8
168.07896	0.8
172.11169	1.0
178.05865	1.4
180.06548	16.6
182.09641	1.9
183.10434	1.3
184.09874	1.3
185.10745	1.3
186.11465	0.9
192.06540	35.2
192.10175	2.1
193.07347	4.2
194.08121	8.5
199.08643	2.3
199.12337	3.5
200.13083	0.8
209.10757	0.6
210.09201	1.2
211.10010	0.8
212.09445	1.9
213.10176	10.7
214.10976	2.0
225.10168	1.5
226.10889	0.9
227.08051	1.3
227.11758	8.3
228.10529	0.8
228.12692	2.7
230.29338	0.8
240.08952	1.8
241.09708	30.5
242.10378	2.5
243.11269	1.7
244.13297	1.1
245.12694	1.0
252.10161	1.0
254.10570	1.9
254.17422	0.9
255.11269	15.6
255.17717	1.6
256.11996	3.2
259.10669	1.1
259.14340	2.9
269.12857	2.8
270.11276	1.8
271.10788	2.0
272.11652	1.5
273.12335	7.7
285.12311	1.1
287.05234	0.7
287.10809	1.2
287.13876	12.3
297.12311	3.9
298.10422	1.4
299.10245	4.7
300.07803	0.6
300.11011	25.6
315.13358	100.0
315.19766	5.2
316.13715	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	315.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68371	1.9
55.05495	6.8
55.93525	2.2
56.29646	1.7
56.96558	6.0
67.05502	2.4
70.06593	11.4
70.82690	5.5
72.08138	7.3
72.93786	7.9
81.07039	3.1
82.06107	4.1
82.06570	55.7
83.04981	5.7
84.08141	7.2
85.02905	7.1
86.09699	5.6
89.96422	8.8
90.94817	6.5
91.05450	3.4
97.02889	5.2
98.97587	3.7
101.96410	5.6
107.97490	1.7
109.02914	2.7
110.07125	2.0
112.08698	1.9
116.98641	3.8
117.95908	3.3
119.97426	2.6
120.08092	4.8
128.96327	3.1
129.10204	3.5
130.08624	4.5
130.62315	1.9
134.99709	3.1
135.08014	3.0
138.09169	2.9
143.97453	2.0
144.99429	3.2
146.97426	2.7
147.04408	4.2
150.96985	2.0
153.06570	100.0
161.98447	12.4
162.02075	15.2
163.00528	12.4
172.00641	4.0
184.00551	14.9
185.96114	2.3
195.07660	16.7
202.01645	12.8
203.05286	2.5
219.07602	2.2
226.01619	28.6
229.14044	2.1
234.04202	13.4
244.02615	20.9
261.08926	2.2
262.03644	6.5
262.89417	7.7
274.03705	12.5
286.89490	4.0
292.04752	75.6
304.66125	1.9
315.07181	3.9
315.10474	22.4
315.16095	2.1
333.08707	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	315.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01862	1.3
55.05505	2.8
55.93515	2.2
56.94293	1.7
56.96555	1.9
57.03434	0.9
57.85365	0.6
59.04981	0.5
67.05502	3.1
69.03419	2.1
69.07060	3.0
70.06593	3.2
70.95853	3.0
71.04984	1.4
71.60070	0.7
71.92996	0.6
72.08141	2.9
72.67976	0.5
72.82882	0.5
72.93781	9.7
78.17073	0.5
79.05477	2.8
81.03415	4.7
81.07051	4.1
83.04963	1.3
83.08601	1.0
84.08120	2.0
85.02862	1.0
86.09713	1.3
88.96879	1.9
90.94820	6.1
91.05472	5.4
93.07027	4.3
95.04931	2.4
95.08595	1.7
97.02866	1.5
97.06527	1.9
103.05469	0.9
105.07011	3.5
107.04943	0.8
107.08565	1.6
108.95838	2.7
109.02791	1.1
109.10130	1.4
111.04349	0.5
115.05424	1.0
116.96341	0.7
116.98593	1.1
117.06966	1.0
119.08587	2.1
121.06507	2.6
121.10128	1.4
122.06802	0.8
123.08061	0.8
123.11662	0.8
126.98405	1.2
128.96349	2.3
129.06981	1.1
130.97858	1.2
131.08519	1.3
133.10158	1.1
134.97369	1.3
134.99680	0.7
135.04419	0.7
135.08034	1.1
135.11641	0.6
137.05881	0.8
138.98402	1.8
140.40128	0.6
140.99956	0.7
141.06966	0.9
142.07739	0.7
142.97911	1.1
143.08545	1.3
144.95833	0.6
144.99477	1.2
145.02789	0.7
145.10106	1.8
146.03145	0.6
146.97386	2.2
147.11703	0.8
148.98955	2.2
149.09619	0.7
150.98381	0.8
154.97871	1.5
156.99507	1.4
157.10097	0.7
158.97395	1.1
158.99730	0.5
159.01031	1.4
159.11685	0.9
160.99019	0.8
161.09546	1.0
162.96904	1.9
163.03912	0.7
163.11218	0.8
164.99976	2.6
165.09175	0.6
166.97888	2.7
168.99416	0.7
170.97414	1.0
172.99002	2.9
173.09462	0.6
175.00584	0.6
175.11174	0.7
177.05446	2.9
178.05771	3.1
178.97905	1.6
179.01479	1.2
180.99483	1.8
183.01016	1.8
183.98216	0.9
184.98944	2.4
186.01205	1.5
187.00569	0.7
189.03661	2.1
191.06992	0.8
192.99437	1.4
196.98911	1.3
199.02036	2.3
199.08604	0.9
201.02081	2.3
201.03682	1.1
207.01042	1.7
209.02641	0.8
211.00414	0.7
213.02089	0.7
213.10194	0.8
217.03165	1.1
219.04686	2.3
227.03613	1.4
237.05751	0.7
239.03604	0.9
241.09616	1.3
247.04216	1.4
253.05370	0.6
255.11169	1.8
263.03745	0.9
265.05200	25.2
266.05618	0.8
281.04822	0.7
283.06253	100.0
284.06485	2.8
297.08392	0.9
301.07309	1.5
306.07861	10.2
307.08270	1.0
315.04788	2.6
315.08853	5.2
315.13345	8.0
315.19434	2.5
315.22968	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	314.2689
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
55.05508	5.1
56.05029	8.9
56.96561	10.1
57.03434	1.5
57.07070	1.7
60.04522	100.0
67.05504	14.4
69.07055	4.6
70.06577	3.1
70.24294	2.5
71.04979	1.6
72.04504	2.5
74.06064	2.6
79.05485	6.8
81.03423	1.3
81.07052	12.2
82.06583	1.8
83.04955	1.7
83.08609	2.8
91.05462	5.2
93.07040	7.4
95.04963	1.4
95.08606	12.6
96.08123	1.6
97.06506	2.5
97.10145	2.2
98.97582	16.0
105.07027	2.2
107.04963	1.2
107.08578	4.1
109.10128	4.2
116.98605	21.3
119.08617	1.5
121.06502	2.8
121.10138	3.0
124.06006	1.0
131.08643	1.4
133.10182	1.4
134.99655	27.9
135.11652	1.5
145.02841	1.3
145.10098	1.5
149.13168	1.3
153.00694	7.3
158.01205	3.1
173.19073	1.2
177.05466	4.3
184.95552	1.0
240.03667	1.2
266.24802	7.8
268.26407	2.3
272.93579	1.5
278.24808	15.8
283.64777	1.3
290.94711	23.6
291.94818	1.9
296.22400	1.7
296.25827	29.3
308.95825	7.8
313.96329	2.3
314.26874	95.7
315.07452	2.2
315.19272	1.3
315.27179	4.0
331.97452	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	314.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70546	0.4
51.71544	0.4
53.03940	1.0
54.84438	0.4
54.95498	0.5
55.01865	3.6
55.05499	2.1
56.05032	0.6
56.96550	2.7
57.03426	1.0
60.04501	1.3
62.06084	5.0
67.05499	1.8
69.03411	0.7
69.07069	1.5
70.02946	1.8
70.06580	2.5
70.95162	1.1
71.04991	0.5
71.08627	15.2
72.08147	2.7
72.74749	0.4
73.02915	3.4
79.05489	3.4
81.03433	0.5
81.07054	8.1
82.06574	1.0
83.08642	0.8
84.04507	0.5
84.08144	0.8
84.96034	0.4
85.02899	0.7
85.06558	0.6
86.06061	27.8
86.09695	0.6
88.03953	0.6
89.03909	0.8
91.05486	4.2
93.07040	4.7
94.06538	0.6
95.04951	1.3
95.08592	1.8
96.08125	3.0
97.02859	1.2
97.06517	1.8
98.09674	4.5
98.97593	2.0
99.04453	0.9
99.08090	6.0
100.07615	1.5
101.02369	6.4
103.05458	1.6
105.06997	0.9
107.08599	1.5
108.08112	3.8
109.02876	0.5
109.06509	14.3
109.10134	0.8
110.09657	0.8
111.04449	0.5
111.08074	9.0
114.09158	1.1
116.10724	16.1
116.98596	2.3
117.03397	3.4
117.07019	0.8
119.08592	0.5
120.08082	1.0
121.06505	6.9
121.08872	1.1
121.10109	0.5
122.09656	0.7
123.08070	0.6
123.11614	0.5
124.07572	1.5
124.11215	1.7
134.09644	3.6
134.99620	3.2
135.04390	0.6
135.08066	0.6
135.10420	0.5
136.07571	0.6
137.05978	8.7
137.09596	0.6
138.09105	1.3
142.08618	3.0
142.12253	4.3
143.00159	0.6
143.10660	17.4
145.02820	6.6
145.04944	1.2
146.97380	0.6
149.05972	1.1
152.10719	3.8
153.00676	0.9
155.07040	1.0
157.07599	0.5
160.13377	2.3
161.01184	1.3
161.13557	0.5
162.05479	3.6
163.07489	0.5
165.07764	0.5
166.08601	0.7
168.10208	0.9
170.11761	8.9
170.99541	0.4
177.00659	0.5
177.05453	14.5
180.10196	4.8
184.13332	0.7
191.43661	0.5
198.11240	100.0
199.11603	1.6
200.09186	0.8
214.17993	3.0
215.06583	0.6
216.12296	75.7
217.12584	1.2
221.74907	0.4
255.11211	0.8
290.94708	1.9
296.18542	5.7
297.12250	0.5
308.95798	0.6
314.03659	1.7
314.14011	3.0
314.19559	14.5
315.04779	0.8
315.13461	0.9
315.19861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01867	0.7
56.96569	0.4
60.04504	0.3
63.02356	0.4
70.06584	0.4
70.85496	1.1
71.08618	1.2
72.46796	0.4
79.05504	0.6
79.63338	0.3
81.03391	0.4
81.07053	0.8
86.06057	1.6
88.56420	0.3
89.03910	6.0
91.05475	8.7
93.06463	0.7
93.07033	11.1
95.04954	4.2
98.97527	0.3
99.08098	0.5
101.02339	0.4
103.04782	0.5
103.05456	9.5
104.37769	0.3
109.06522	1.5
111.08046	0.4
116.10716	0.9
117.03372	20.7
119.04927	0.8
121.06493	54.1
129.86850	0.3
134.03577	1.4
135.04407	1.5
136.05177	0.5
137.05984	0.5
143.10652	0.9
145.02832	52.7
146.03186	0.6
149.05966	6.8
162.03159	0.5
163.03899	1.2
170.11771	0.6
177.05453	100.0
178.05803	1.1
186.05510	1.2
194.08083	0.9
198.11226	6.7
211.48535	0.3
216.12303	4.7
314.13828	26.3
314.19687	1.4
315.14117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1385
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
50.01591	0.1
51.02382	0.3
51.75805	0.1
53.03946	1.1
55.01859	0.4
55.05498	0.3
56.96558	0.7
57.03417	0.3
59.04976	0.1
60.04501	0.1
63.02091	0.1
63.02385	0.4
65.03949	0.2
67.05495	0.3
68.20276	0.1
68.24815	0.1
69.07067	0.3
70.04205	0.6
70.06583	0.4
71.08618	0.2
72.08147	0.5
77.03925	0.5
77.87610	0.1
78.04726	0.2
79.05489	0.4
81.03416	0.7
81.07054	0.5
83.04942	0.2
83.08600	0.2
83.16479	0.1
84.04524	0.1
84.08134	0.2
86.06055	0.7
86.09698	0.2
87.04443	0.1
89.03909	5.7
91.05474	8.7
93.07037	12.2
95.04961	4.1
95.08590	0.2
96.08134	0.2
97.02908	0.1
97.06502	0.4
98.97530	0.2
102.04661	0.2
103.05461	10.0
104.05772	0.1
105.04517	0.7
105.06992	0.3
106.04166	0.3
107.04946	0.2
107.08599	0.2
109.06499	0.5
111.08070	0.4
116.10763	0.3
116.98590	0.3
117.03371	21.1
118.03696	0.1
119.04935	0.4
119.08556	0.2
120.08096	0.2
121.06495	57.8
122.06842	0.5
124.05198	0.3
134.03616	1.4
134.09689	0.2
134.99669	0.3
135.04402	1.6
136.05161	0.3
137.05942	0.2
138.09125	0.2
142.08647	0.1
142.97752	0.1
143.00127	0.2
143.10684	0.6
145.02832	53.4
146.03227	0.4
147.04430	0.2
149.05965	6.4
151.07539	0.4
152.10693	0.2
157.10078	0.2
158.06044	0.3
159.64600	0.1
161.01210	0.3
162.03143	0.4
163.03920	0.9
164.07053	0.2
165.09201	0.1
170.11798	0.2
177.05453	100.0
178.05792	1.1
185.01167	0.1
186.05455	1.6
194.08159	1.3
198.11235	3.2
198.13010	0.2
204.06599	0.1
216.12312	1.6
220.09738	0.3
249.02643	0.1
262.89426	0.1
290.94803	0.2
296.15137	0.1
296.18326	0.2
314.03870	0.4
314.13831	23.8
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	314.1384
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
50.05481	0.4
50.33133	0.4
51.02393	0.7
51.24398	0.4
53.03945	1.6
55.37137	0.5
57.99878	0.4
70.06587	2.1
71.44115	0.6
71.44444	0.7
72.08144	1.1
77.03931	0.7
79.05491	0.5
82.06596	0.4
86.09651	0.4
89.03910	5.3
91.05465	7.6
93.07040	12.1
93.07622	0.7
93.74095	0.4
95.04968	3.7
103.05457	9.4
104.05806	1.1
105.04465	0.5
106.04137	0.5
117.03377	18.4
119.04910	0.5
120.08099	20.1
121.06500	54.6
121.08420	15.8
134.03627	1.9
135.04401	1.5
136.05159	0.6
144.08043	0.5
145.02835	54.5
149.05971	5.8
151.07471	0.7
163.03891	1.0
166.08720	0.6
167.08926	1.2
177.05460	100.0
178.05833	1.3
186.05463	0.8
194.08119	0.9
220.09399	0.5
243.31616	0.5
314.13794	20.8
314.19653	1.0
315.13699	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	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99518	0.7
55.05503	7.8
55.15768	0.7
57.03433	20.4
57.07073	62.3
61.22471	0.7
67.05505	11.4
69.07062	11.1
69.37341	4.6
69.37766	2.3
71.08627	38.4
79.05473	0.8
81.07050	15.7
82.24869	0.7
83.08612	13.7
85.10179	22.1
89.06010	2.7
95.08601	21.9
97.10151	6.6
99.11713	1.2
103.07562	2.8
109.10144	11.2
109.66133	0.8
111.11713	1.9
117.09102	0.9
123.11700	4.6
124.44985	0.8
125.13222	0.8
135.11700	0.8
137.13237	1.8
146.03799	0.7
151.14825	1.3
239.23709	4.4
257.24728	6.6
267.17331	0.7
275.25943	0.8
313.27338	100.0
314.27643	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.0
57.03433	22.1
57.07072	61.5
58.07389	0.7
67.05493	11.6
69.06707	1.1
69.07063	11.2
70.85854	1.2
70.86189	0.9
71.04974	0.9
71.08624	44.3
76.80175	0.7
79.05482	1.1
81.07047	15.0
83.08613	13.5
84.58355	0.7
85.10173	19.7
89.06038	3.5
93.07015	1.7
95.08597	22.1
97.10144	6.9
99.11692	1.3
103.07554	2.4
107.08546	0.9
109.10146	12.1
111.11752	1.5
117.09092	0.8
121.10111	0.9
123.11707	5.0
137.13234	2.0
221.22728	1.3
222.36639	0.8
227.71941	0.8
239.23634	5.1
257.24689	7.3
275.25732	1.0
313.27328	100.0
314.27704	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	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.9
57.03435	20.7
57.07073	66.9
62.42073	0.7
62.92949	0.7
63.69909	0.7
67.05499	12.5
69.07058	11.6
69.40603	7.2
71.08627	41.0
71.64748	0.7
75.04479	1.0
79.05488	1.1
81.07050	16.5
83.08608	13.3
85.10181	21.2
89.06023	3.9
93.07027	1.4
95.08601	24.5
97.06521	1.1
97.10161	7.2
98.21587	1.3
99.11757	1.0
103.07584	2.8
109.10156	11.1
111.11690	1.4
117.09085	1.2
121.10184	0.7
123.11696	5.3
125.13255	0.9
128.06841	0.7
131.27028	0.8
137.13245	1.8
151.14856	1.2
152.30431	0.7
155.67993	0.7
165.16473	0.9
239.23763	4.1
255.09383	0.7
257.24634	7.0
313.27341	100.0
314.27673	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.3
57.03436	21.9
57.07074	64.8
64.03545	0.6
65.36738	0.6
67.05169	1.0
67.05504	13.4
69.06725	0.8
69.07069	11.9
69.52840	6.3
71.05016	0.9
71.08630	42.4
79.05471	1.4
80.46590	0.7
81.07056	15.5
83.08618	14.0
84.08966	0.7
85.06550	1.1
85.10183	21.4
89.06046	3.3
91.05448	0.8
93.07026	1.4
95.08604	23.8
97.06525	1.0
97.10167	6.8
103.07561	2.9
107.08590	0.7
109.10159	10.7
111.11755	1.6
116.37079	0.6
117.09150	1.1
121.10152	0.9
123.11703	5.0
137.13248	2.7
181.61639	0.6
217.03160	0.7
217.08884	0.7
239.23734	4.7
239.52489	0.8
249.45515	0.6
257.24725	7.5
275.25906	1.1
285.78061	0.8
313.27350	100.0
314.27606	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	313.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66222	6.1
53.82966	6.1
55.05519	9.2
56.96553	21.0
57.03431	7.7
57.07062	19.3
67.05489	33.2
69.07068	18.6
77.82235	6.6
79.05492	22.9
81.03395	9.1
81.07041	40.1
83.04954	8.5
83.08608	13.4
85.10201	6.2
91.05449	14.7
93.07050	25.6
95.04974	16.5
95.08598	20.9
97.06526	23.2
98.97578	36.3
105.07031	17.6
105.12765	6.8
107.08595	21.7
107.65540	6.1
109.06525	6.6
109.10178	15.6
112.10414	6.2
113.09639	7.2
116.98615	67.0
119.08575	18.5
121.10120	10.4
123.11714	10.5
126.38264	5.5
129.06941	6.7
131.08568	6.6
133.10121	13.7
134.99644	100.0
143.08539	9.0
145.10172	10.2
146.97447	12.1
149.09660	7.0
153.00708	23.2
161.09627	6.3
165.12735	9.7
199.07404	6.9
224.93861	6.7
272.93753	13.4
276.61063	8.4
277.21591	41.7
290.94684	68.4
295.20294	6.6
295.22760	85.8
308.95776	25.1
313.21661	18.3
313.27460	8.5
313.96289	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	313.2372
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.05487	20.3
56.62294	9.6
56.96551	30.9
57.03416	14.7
57.07070	12.7
60.65097	7.2
62.05175	7.4
67.05485	39.0
68.70662	7.7
69.07049	18.9
69.32255	15.7
69.32658	83.8
71.08616	19.1
74.50877	8.8
79.05485	33.2
81.07041	42.8
83.04992	12.9
83.08609	9.0
85.02894	11.4
90.89201	8.8
91.05467	29.0
93.07039	27.6
95.04955	11.5
95.08577	34.8
97.06497	44.2
97.99129	8.0
98.97597	58.4
105.07012	34.3
105.43623	7.7
107.08598	16.5
109.10126	18.0
116.98612	77.8
119.08572	21.8
121.10130	30.6
125.09632	8.6
128.06206	8.5
129.07053	12.6
131.08556	11.1
133.10149	23.0
134.99646	100.0
137.09526	9.6
143.08566	14.9
145.06400	15.3
145.10133	14.5
146.97380	10.7
147.11594	12.2
151.11223	11.1
153.00684	38.4
158.01233	9.8
169.10127	10.5
174.49911	9.7
199.07439	11.4
231.10968	8.1
241.12230	14.0
277.21600	39.6
290.94708	94.5
295.22821	94.1
308.95770	31.9
313.14520	13.2
313.17963	19.0
313.21613	41.2
313.27411	12.3
313.96292	18.1
314.20975	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	313.237
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.01865	41.1
55.05508	73.2
56.96560	19.0
57.03403	11.3
57.07064	30.2
67.05496	95.0
69.03423	10.3
69.07057	87.1
70.31714	9.3
71.04996	14.6
71.08628	19.7
71.60447	10.7
71.60867	11.2
79.05498	36.5
81.03428	12.3
81.07053	90.2
83.04973	25.1
83.08615	41.1
85.06528	18.1
85.10172	13.5
91.05479	51.2
93.07033	76.4
95.04965	39.4
95.08601	85.2
97.06553	41.0
97.10162	31.4
98.97585	24.9
105.07008	52.1
107.08589	50.5
109.06513	16.7
109.10121	49.4
111.08078	15.6
113.09606	17.9
116.98605	68.6
117.07014	13.7
119.08551	44.4
121.06477	20.5
121.10139	37.4
123.08025	18.8
123.11703	17.1
125.09611	22.7
128.06276	10.6
129.07018	17.2
131.08560	34.5
133.10156	41.1
134.99640	87.1
135.11681	18.7
137.08096	9.5
137.09592	11.3
139.11160	50.9
142.07788	15.5
143.08606	25.8
145.10109	67.4
147.11705	15.1
149.05983	26.4
149.13264	13.5
151.11217	15.4
153.00742	22.2
153.12756	9.0
155.08536	19.5
156.09357	11.3
157.10123	41.7
158.01372	10.4
158.10878	16.2
159.11687	20.4
161.13318	10.3
166.19466	9.2
169.10161	15.4
171.11710	26.4
173.09671	16.1
173.13237	17.4
175.11249	14.2
176.40894	9.1
179.08545	12.7
182.02823	8.0
182.10957	10.7
183.11710	13.7
185.13222	20.0
189.11229	23.2
195.11690	13.3
199.07532	12.9
199.14792	16.5
203.14331	9.8
209.13275	24.8
211.14963	14.5
227.14243	23.3
231.17383	12.0
241.12204	13.5
249.22107	18.8
277.21698	51.5
288.37201	8.3
290.94788	70.4
295.22681	37.7
308.95789	31.4
313.03363	9.4
313.14368	13.2
313.18005	11.4
313.21509	100.0
313.27374	25.5
330.27328	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	313.2159
Annotation	3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
53.03936	5.7
55.01856	11.0
55.05510	27.2
56.96555	12.3
57.03415	6.4
57.07069	10.5
59.74064	5.8
62.03312	5.2
62.22684	4.9
67.05492	33.7
68.43557	5.6
69.03438	7.6
69.07056	40.3
69.43772	19.6
69.44196	30.7
71.04980	7.7
71.08629	6.8
73.50095	5.4
73.64046	5.6
79.05486	19.9
81.03391	8.2
81.07058	32.3
82.09415	5.2
83.04980	14.8
83.08633	9.4
85.06541	12.4
91.05463	30.5
93.07038	34.9
95.04958	24.3
95.08590	36.2
97.06499	35.2
97.10165	8.4
98.97567	19.1
99.08115	7.4
105.07032	33.0
107.08600	27.0
107.34898	4.9
109.10125	26.2
113.09644	9.9
116.98615	35.2
117.06984	14.7
117.12073	5.1
119.08549	33.9
121.06543	14.9
121.10132	22.9
123.08047	12.2
123.11707	12.8
125.09634	7.8
129.06973	16.9
130.07785	5.6
131.08559	20.2
133.10129	16.7
134.99637	65.5
135.08006	12.2
135.11621	7.0
137.09628	7.1
139.11183	20.6
142.07779	10.7
143.08565	24.4
145.10123	47.6
147.07936	5.5
147.11725	7.5
149.05933	11.4
153.00708	10.0
155.08545	13.8
156.09389	7.0
157.10106	36.0
159.07948	6.3
159.11696	20.4
160.33287	5.4
167.08495	9.1
169.10185	12.0
170.10989	6.9
171.11685	26.6
173.09593	16.3
173.13165	8.7
179.08548	9.0
181.10178	7.9
183.11711	17.3
185.09570	6.4
185.13281	10.8
187.11269	7.8
194.10866	11.1
197.13268	21.6
199.14845	9.1
209.13202	39.1
213.12854	6.6
225.16464	7.4
227.14313	16.4
229.15889	8.1
237.16545	9.3
239.14166	7.1
241.12192	8.1
255.17326	8.9
269.18878	7.3
270.04605	6.1
277.21722	10.9
285.10153	5.9
290.94748	41.6
295.20569	23.8
308.95779	13.0
313.14212	8.7
313.17966	7.1
313.21518	100.0
313.27200	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	313.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01866	2.4
55.05494	3.6
55.16097	0.9
56.96545	2.7
57.03400	1.4
57.07066	1.7
65.03933	5.1
67.05500	7.4
69.03422	6.4
69.07048	3.3
70.06561	3.7
71.04980	1.9
71.59425	1.4
72.08147	1.9
73.02902	1.4
73.65562	0.8
78.64269	0.9
79.05481	4.6
80.74661	1.1
81.03411	6.4
81.07040	5.4
83.04971	2.4
83.08603	1.6
84.08115	2.4
85.02873	3.8
85.06536	2.0
86.09695	3.0
91.05479	7.7
92.04990	3.2
93.07021	5.5
94.06561	6.3
95.04939	5.8
95.08598	4.9
96.04482	1.3
96.08138	1.0
97.02875	2.1
97.06523	2.4
97.10176	1.2
98.06093	1.3
98.97584	1.4
103.05471	1.8
104.04966	6.0
105.07011	4.0
106.06524	1.4
107.08580	3.8
108.08115	1.8
109.02865	2.3
109.06503	3.3
109.10147	4.7
110.06002	1.5
111.04436	2.8
111.08043	1.6
113.05968	1.2
116.98591	1.6
117.05721	1.2
117.07037	1.0
118.06522	3.6
119.07311	1.2
119.08578	2.3
120.04485	5.2
120.08081	4.0
121.06497	5.9
121.10124	3.0
122.05996	3.5
123.04465	1.2
123.08044	2.7
123.11685	1.9
124.07591	2.7
125.05941	1.0
125.09585	1.2
127.03862	1.5
129.06952	1.7
129.10265	1.6
130.06535	2.4
131.06032	1.8
131.08556	1.0
133.10089	2.8
134.99643	1.4
135.08002	1.5
136.07501	1.9
137.05994	1.7
137.09550	2.3
138.05435	1.3
143.00131	1.2
144.08072	2.2
145.02814	3.7
145.10091	2.1
146.05997	3.5
146.97411	1.1
147.06763	1.6
147.07942	1.1
147.11697	1.3
148.03879	2.1
148.07507	2.2
149.05962	1.5
149.07072	2.6
149.09610	1.4
150.05490	1.2
150.29399	1.0
151.03893	15.5
151.05066	1.9
151.07542	1.7
152.07115	2.2
153.06982	1.4
154.06506	1.8
156.08061	2.7
157.08791	1.3
157.10062	1.3
161.01218	1.9
164.07018	6.0
165.09085	1.4
167.10710	1.1
168.06566	36.5
168.07932	1.7
169.07619	6.5
170.08347	3.5
170.09647	3.9
177.05424	6.6
180.08092	2.8
181.08888	2.1
182.08328	10.7
182.09697	2.4
183.07660	1.6
183.09149	28.1
184.07591	2.2
184.09940	13.8
185.07039	1.4
185.10672	1.9
187.08521	1.4
191.10623	1.1
192.06557	6.3
193.12387	1.3
194.09618	1.5
195.09132	3.0
196.09869	6.6
197.07036	4.1
197.10725	51.9
198.09195	2.7
198.11496	13.3
199.08626	2.4
200.09407	1.8
206.08073	1.7
208.07532	1.8
209.10756	2.0
210.07790	7.8
211.08650	43.0
211.12245	4.0
212.09407	46.5
213.10124	5.1
215.08139	2.1
215.11783	3.6
217.39380	1.0
219.07587	1.1
222.09171	2.2
223.08688	2.3
223.12402	1.3
224.09441	3.3
225.10199	98.8
226.10938	21.1
227.08080	2.1
237.10138	1.3
238.07147	1.8
239.08138	16.1
239.11781	10.3
240.08659	2.4
240.12505	2.3
241.09616	3.7
242.10324	2.3
243.11281	18.3
252.08818	1.9
253.09705	26.2
254.10498	7.1
255.11191	1.7
257.12839	22.1
267.11240	8.5
270.10059	8.3
271.10739	56.2
272.11209	1.3
283.10712	2.6
284.11691	1.2
285.12305	100.0
286.12726	2.2
295.10724	3.0
297.08890	1.3
298.09335	4.4
313.03381	3.9
313.11768	74.6
314.12216	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	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.01865	4.8
55.05517	6.0
56.05006	2.6
56.96554	8.1
57.03426	6.4
61.02927	12.7
66.97192	2.4
69.03433	24.2
69.05247	2.3
69.07072	16.0
70.06591	24.5
71.04983	3.1
71.59204	3.1
71.59573	3.1
72.08136	13.9
73.02904	5.3
75.51250	3.3
79.05490	5.3
81.03409	10.0
81.07066	4.4
83.04975	3.7
84.04475	4.2
84.08136	20.0
85.02902	100.0
86.09692	15.6
87.04433	2.5
87.08107	19.9
88.03999	3.0
91.03934	8.5
91.05470	8.7
95.04962	2.7
97.02882	24.2
99.04439	4.1
100.83729	2.4
101.04166	2.4
105.06984	3.8
107.04946	3.4
107.08595	5.4
108.08092	4.0
109.02873	7.2
110.07145	5.8
111.04446	2.8
115.03959	2.7
116.98650	4.5
119.04944	5.6
120.08109	8.6
121.10104	3.5
127.03925	32.2
129.10225	7.0
130.05003	2.9
133.08607	6.2
134.99644	3.8
136.07550	4.1
137.05928	5.1
138.05470	4.3
145.04948	49.2
147.04387	15.0
150.05490	34.8
151.03880	7.8
152.07115	4.1
157.07625	4.0
160.50581	2.6
161.08240	2.3
163.06035	8.1
169.45390	2.9
177.05385	3.9
180.08618	3.5
210.05769	3.8
224.12596	5.6
242.08023	3.2
267.04004	3.5
268.15485	8.4
312.10278	3.6
312.18195	62.4
312.32913	3.2
332.11334	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	312.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08946	0.2
54.55735	0.2
54.91338	0.2
55.01859	0.4
55.02985	0.3
56.96550	0.7
57.03436	0.4
61.02919	0.9
68.04989	0.3
69.03426	2.6
69.07066	0.9
69.91119	1.1
69.91534	0.4
70.06600	1.7
71.04988	0.5
72.08153	0.3
73.02919	0.4
79.07398	0.3
81.03407	0.8
84.04502	0.8
84.08144	1.5
85.02895	3.1
86.09682	0.5
87.04460	0.4
87.48867	0.3
95.05496	0.5
95.06086	9.3
97.02868	1.3
97.06512	0.7
98.97553	0.7
99.04453	0.3
108.05592	0.4
109.02868	0.5
109.05134	0.9
110.07179	1.7
116.98615	0.4
127.03864	0.4
129.10268	0.6
130.05008	0.3
132.08090	0.3
133.05084	8.5
133.07736	0.3
134.99619	0.3
135.09192	0.3
136.07530	0.5
150.07736	100.0
151.08046	1.2
161.01161	0.3
165.05550	0.3
165.10236	0.5
181.09508	0.3
184.96609	0.3
208.04836	0.3
209.12843	8.9
215.55060	0.3
268.20190	6.0
312.12973	20.3
312.18958	0.6
313.13309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1299
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
57.03415	0.5
57.50623	0.3
69.03419	0.6
69.07077	0.4
70.06590	2.8
70.76917	0.5
70.77226	0.3
71.06095	0.6
79.05484	0.4
80.65891	0.3
84.04506	0.5
84.08120	0.4
85.02872	0.5
110.03518	4.4
118.03703	0.3
120.08057	0.3
128.04549	0.6
130.08595	0.5
134.99640	0.4
135.03064	0.3
136.07584	0.8
137.08237	1.9
153.04065	2.5
162.07756	0.9
165.06442	0.5
169.13440	0.3
180.08783	100.0
181.09097	1.3
194.04289	0.3
197.12891	0.3
209.91608	0.3
213.12393	0.6
301.69843	0.3
318.81104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66257	0.6
53.03939	0.9
56.05028	5.1
60.04510	0.7
63.80156	0.7
65.03927	0.7
70.06595	3.9
71.14555	1.5
76.47577	0.6
84.04498	100.0
84.08134	1.0
91.05477	7.3
93.07031	0.7
95.04961	19.1
102.05531	17.4
102.06167	1.3
103.05463	2.7
109.06537	1.2
110.07172	1.0
119.04929	29.2
121.06503	1.8
123.04423	60.9
130.04993	74.1
137.05966	1.1
147.04405	20.4
148.06035	47.1
150.07793	0.9
165.05466	37.0
168.06532	1.0
266.10239	3.7
312.10754	10.3
312.14490	1.3
313.92426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2576
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.62762	0.6
53.03930	1.4
55.01861	1.9
55.05508	38.5
56.05843	0.8
57.03433	17.3
57.06784	0.7
57.07073	21.4
67.05502	6.9
69.07063	52.3
71.05717	0.8
71.06071	1.3
71.08626	13.0
73.02894	1.1
77.65432	0.6
79.05486	4.6
81.07053	9.4
83.04974	1.2
83.08613	44.7
84.08961	0.7
85.06510	0.7
85.10165	5.2
93.07030	5.1
95.08591	7.0
97.06514	3.8
97.10161	32.4
98.10463	0.6
107.08585	3.9
109.10130	2.3
111.08070	2.0
111.11712	9.7
111.90716	0.7
121.10139	5.7
123.11697	1.2
125.09621	2.1
125.13248	2.8
129.05518	0.7
135.11682	3.9
139.11198	1.0
149.13232	2.7
153.12672	1.0
163.14830	1.3
171.59990	0.6
219.21065	1.6
237.22252	1.1
307.37726	0.6
311.25775	100.0
312.26105	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	311.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68063	0.8
53.03938	1.0
53.09404	0.8
55.01860	3.1
55.05509	56.4
57.03435	23.4
57.07072	28.1
67.05501	9.0
69.07065	69.6
69.56461	1.6
69.56860	5.6
70.07407	1.3
71.08231	0.8
71.08629	17.0
73.02930	1.0
79.05486	5.5
81.07058	12.0
83.04986	1.9
83.08615	57.9
84.08950	1.3
85.10181	7.8
91.05467	3.5
93.07034	7.7
95.08606	9.0
97.06522	6.0
97.10166	39.8
98.10438	0.8
101.05997	0.8
107.08591	4.8
109.10139	3.1
111.08072	3.4
111.11713	11.8
121.10132	6.9
123.11685	2.5
125.09608	2.4
125.13251	2.9
135.11705	5.7
137.13231	1.0
139.11186	1.6
139.14851	0.9
149.13234	1.7
163.14830	1.5
219.21004	2.8
237.22113	1.6
271.37036	0.9
311.25790	100.0
312.26166	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	311.2213
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03936	6.2
55.01873	8.1
55.05504	63.4
57.03439	23.9
57.07076	23.8
65.03933	3.6
67.05499	57.8
69.07064	80.0
70.04059	3.9
70.31934	10.2
71.04977	5.3
71.08616	6.5
79.05484	31.5
81.03414	8.8
81.07054	63.0
83.04972	8.6
83.08607	47.1
85.06561	7.7
91.05465	20.0
93.07027	40.1
94.47022	3.3
95.04960	12.5
95.08596	49.7
97.06532	8.5
97.10155	26.2
99.08096	3.3
105.07028	19.7
107.04946	9.9
107.08583	30.2
109.06521	6.8
109.10150	27.1
111.08096	6.5
111.11741	4.1
117.07015	3.5
119.08543	15.5
121.06474	8.4
121.10136	28.5
123.08073	3.5
123.11698	8.8
131.08546	8.6
133.10141	12.7
135.08098	3.6
135.11644	20.2
137.09607	16.7
137.13255	5.3
139.11116	3.8
140.99112	5.0
145.10130	5.6
147.11664	7.4
148.45723	3.8
149.09610	5.4
149.13249	10.9
151.11162	6.6
153.12743	4.4
157.10149	6.4
159.11752	3.4
163.11200	3.4
163.14873	4.3
197.09895	3.6
209.11705	27.7
219.13777	3.7
219.21205	5.7
237.11156	16.2
237.22083	5.7
257.19049	12.3
275.20047	100.0
293.21094	35.9
311.20270	5.2
311.25809	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03941	1.1
55.01857	1.8
55.05510	66.3
57.03437	23.0
57.07073	27.7
60.70399	1.0
66.85513	1.0
67.05500	9.3
69.07066	67.9
71.06609	2.5
71.08632	16.5
79.05477	7.6
81.07056	14.7
83.08617	56.9
85.10188	6.9
91.05506	1.1
93.07048	6.6
95.08598	10.2
97.06531	6.4
97.10168	41.0
98.75158	0.9
107.08591	5.9
109.10144	3.7
111.04417	1.0
111.08074	2.9
111.11700	10.9
121.10121	7.7
123.11710	2.0
125.09595	2.6
125.13261	3.5
135.04414	9.1
135.11681	6.7
139.42949	0.8
144.66289	0.9
149.13232	2.9
153.05531	1.0
153.12740	1.1
156.21738	1.0
161.09604	11.1
163.14915	1.2
165.34291	1.0
209.11725	4.3
219.21008	2.0
237.11197	3.5
237.22050	1.5
261.68591	1.0
269.08508	1.0
283.13516	1.0
311.16354	8.7
311.25790	100.0
312.26169	3.6
313.73892	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	311.2213
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03923	1.0
54.46586	1.0
55.01854	3.0
55.05259	1.1
55.05508	15.6
57.03429	1.8
57.07079	6.7
61.71607	0.8
67.05495	8.2
69.03411	1.5
69.07061	6.8
70.04060	1.0
70.72531	0.7
71.08625	9.3
79.05482	7.0
81.03383	0.8
81.07052	7.2
82.67428	0.8
83.04967	3.4
83.08611	9.6
85.06532	1.2
88.60106	0.8
91.05463	3.0
93.07019	6.7
95.04962	3.5
95.08597	4.9
97.06506	1.9
97.10159	12.0
99.08086	6.7
105.07020	2.8
107.04923	2.0
107.08583	5.3
108.05697	0.9
109.06512	2.0
109.10153	1.9
111.04401	2.7
111.08068	2.7
116.08064	1.0
117.07014	1.7
119.08578	1.3
121.06480	5.1
121.10110	2.7
123.08042	1.2
125.06006	1.6
125.09624	7.5
131.08543	2.1
133.10121	1.1
134.99667	0.9
135.08034	2.0
135.11668	1.9
145.10115	1.4
149.06013	1.4
149.09572	1.0
151.11160	1.2
153.05478	2.7
153.15947	0.8
157.10086	1.4
159.11644	1.4
163.11102	1.3
165.12779	1.1
167.10651	0.8
177.12743	2.7
181.12158	1.2
189.11200	3.7
191.10672	2.1
209.11703	15.5
237.11218	14.2
255.12160	2.6
257.19058	1.1
275.19992	6.1
293.21078	100.0
294.21490	2.5
311.20190	1.7
311.25998	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	311.2213
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01870	5.2
55.05507	17.9
57.03422	4.5
57.07072	28.2
61.34089	1.9
63.32998	1.6
65.03944	2.2
67.05500	43.6
69.03432	5.8
69.07060	6.9
69.49156	15.0
71.04975	12.1
71.08626	23.9
74.76295	1.8
76.03473	2.1
79.05492	9.5
81.03429	6.7
81.07044	14.4
83.04975	8.1
83.08603	4.1
85.02893	17.0
85.06527	2.2
88.07604	2.0
91.05482	16.9
93.07032	21.6
95.04953	11.2
95.08599	100.0
97.06532	5.0
99.04477	5.6
99.08093	17.1
101.06024	5.7
105.07052	8.1
107.04939	3.5
107.08585	3.4
109.02866	4.9
109.06540	4.2
109.10152	33.9
111.04427	18.5
111.08077	2.0
113.06017	4.6
116.98613	1.9
117.06942	3.0
119.08558	15.9
121.10149	6.7
123.08044	17.0
125.06003	6.5
127.11186	5.0
131.08569	6.5
133.10126	21.8
135.04391	3.4
135.11725	3.1
137.09610	23.0
141.09068	2.7
147.11641	2.5
149.02379	3.8
149.09673	3.4
151.11179	24.3
153.05423	15.6
155.10657	92.4
156.10924	2.2
159.11714	2.3
161.09619	3.2
163.11195	4.6
163.40814	1.9
165.12834	3.7
173.13258	2.0
177.12764	8.0
181.05006	2.5
181.12273	6.0
183.13802	4.3
183.91515	1.6
191.10655	11.7
193.04974	4.7
196.62584	2.4
209.11714	84.7
219.10199	2.1
224.65666	4.0
229.19608	3.4
237.11205	70.3
238.11543	2.1
247.20618	4.2
251.20049	14.1
255.12210	11.9
265.21631	2.3
275.20023	15.7
293.17831	4.8
293.21078	60.7
294.21426	2.1
311.18652	3.2
311.24643	8.8
311.74631	2.5
315.96927	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01860	11.7
55.05512	36.4
55.79806	4.2
57.03428	4.3
57.07073	6.8
58.52133	4.3
59.61151	3.7
67.05501	37.8
69.03442	6.0
69.07063	41.3
70.04063	12.9
70.28268	18.5
71.04955	6.6
71.08623	14.4
79.05496	35.2
81.03410	16.1
81.07048	49.2
83.04990	21.2
83.08610	18.1
84.97630	4.3
85.06577	4.3
90.59801	4.2
91.05476	26.4
93.07030	34.6
95.04965	66.7
95.08605	30.7
97.06522	20.6
97.10138	12.5
97.91369	4.5
99.08067	5.4
105.06379	3.8
105.07014	23.7
107.04939	11.6
107.08592	26.3
109.06506	8.3
109.10149	11.2
111.04458	27.5
111.08031	5.9
117.07022	12.6
119.08595	19.3
121.06467	8.1
121.10120	16.1
123.11661	7.3
125.09602	9.6
131.08553	12.8
133.10110	11.7
134.99605	4.9
135.08060	16.7
135.11659	14.1
137.09557	4.8
139.11147	4.9
145.10120	10.9
146.97362	4.9
149.09558	10.2
151.11169	4.9
157.10123	10.6
159.11723	8.6
163.11165	13.4
167.14299	7.1
171.08081	4.6
173.13257	5.8
177.12720	9.9
183.11673	5.6
191.14154	4.6
193.12398	4.2
195.13708	7.8
201.12753	6.5
211.13202	6.0
237.14822	52.5
247.20619	4.8
257.19016	5.6
275.20065	44.3
279.09988	5.7
293.21140	100.0
311.19870	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03931	4.2
55.01870	19.7
55.05508	68.2
57.03434	6.5
57.07069	7.7
59.04993	4.3
65.03917	2.7
67.05161	4.7
67.05498	56.3
69.03415	5.0
69.07058	32.0
70.04084	11.4
71.04987	12.3
71.08617	10.9
72.14563	2.7
72.72868	2.3
79.05488	39.5
81.03407	10.4
81.07050	41.0
83.04980	39.1
83.08609	43.2
85.02885	11.3
85.06549	3.3
87.50269	2.3
89.08994	2.4
91.05473	26.9
93.07040	49.4
95.04965	88.4
95.08599	37.2
97.06511	12.9
97.10159	31.6
99.04443	9.4
99.08078	10.7
105.07030	22.8
107.04939	11.3
107.08591	44.7
109.06496	10.7
109.10157	27.1
111.03701	3.8
111.04437	44.6
111.08109	14.4
114.95259	3.0
115.05388	2.6
116.56712	2.4
116.98609	3.2
117.07039	11.5
119.08575	25.6
121.06490	8.6
121.10140	27.7
123.08040	7.6
123.11678	5.8
125.06017	5.4
125.09638	30.9
129.06993	3.9
131.08543	19.5
133.10135	18.7
134.99686	3.5
135.08060	9.8
135.11710	17.4
136.04219	2.8
137.09625	8.7
139.11165	16.5
141.07025	3.4
141.09157	2.5
143.08496	4.2
145.10112	26.1
147.08034	5.7
147.11687	10.1
149.09615	40.4
151.11185	8.5
153.09097	4.2
153.12724	8.1
155.10666	8.9
157.10089	7.6
159.11674	9.3
161.09644	6.6
161.13213	4.3
163.11168	36.0
171.11713	3.4
173.11763	7.6
173.13254	2.8
177.12714	7.5
181.12251	12.9
183.11682	5.8
187.11176	5.9
189.11212	26.6
191.10631	7.3
193.12288	3.8
193.60060	2.3
195.13821	2.9
205.12230	5.9
209.11658	23.2
223.13290	79.6
227.12683	5.0
229.19464	5.0
237.11215	17.6
237.14923	4.1
239.18021	2.7
247.20682	3.4
257.18994	10.1
268.41666	2.4
275.20050	88.9
293.17792	5.1
293.21103	100.0
311.12640	4.2
311.16306	2.7
311.22592	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.65226	2.6
53.03926	4.2
55.01868	9.5
55.05505	34.1
57.03427	9.1
57.07067	4.7
57.21378	3.1
59.04985	6.7
59.24236	2.9
65.03934	2.7
67.05501	87.9
69.03411	10.0
69.07063	16.6
70.95101	2.7
71.04992	16.8
71.08627	59.7
71.12359	7.4
78.76250	2.8
79.05486	23.4
81.03412	9.5
81.07043	40.6
83.04984	20.8
83.08610	14.3
85.02905	11.2
85.06525	5.3
91.05473	24.3
93.07024	36.5
95.04964	17.2
95.08598	75.1
97.06533	8.4
97.10154	15.8
99.04474	3.9
99.08095	38.5
105.07023	10.6
107.08591	11.2
109.06466	7.1
109.10155	64.9
111.08078	5.3
117.07008	4.4
119.08548	21.7
121.10136	10.9
123.08073	8.7
125.09594	10.6
127.11211	5.9
131.08557	10.0
133.10132	15.3
135.08032	3.9
135.11664	6.7
137.09596	21.8
139.11176	61.1
145.10150	3.5
151.11179	36.3
155.10649	51.6
156.10999	3.6
159.11653	4.1
161.09544	16.3
165.12730	6.6
173.11749	23.6
177.12796	16.0
179.10687	4.5
191.14262	11.7
195.13760	9.4
229.19455	6.1
247.20525	6.3
257.18961	8.7
265.21729	3.0
275.20041	42.6
293.21085	100.0
311.22195	15.3
319.13086	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	311.2215
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.02064	2.4
55.01865	4.3
55.05507	21.4
57.03424	6.1
57.07067	10.4
67.05507	17.1
69.07068	13.8
70.04073	3.9
70.84007	5.6
70.84370	4.7
71.08622	11.8
79.05492	13.9
79.16933	2.3
81.07052	22.9
83.04993	4.7
83.08607	9.4
91.05473	13.8
93.07038	19.3
95.04965	6.9
95.08603	16.4
97.10161	7.5
99.08102	5.1
105.07005	8.2
107.04955	7.3
107.08575	11.2
109.10143	5.7
111.04433	6.1
111.08139	2.9
119.08595	6.6
121.06516	7.2
121.10136	7.3
125.09563	5.3
125.53794	2.6
133.10146	6.0
135.08104	2.9
135.11650	5.6
145.10086	4.8
149.05981	40.0
151.11275	2.9
153.05426	4.4
157.10120	3.3
159.11737	4.0
163.11147	3.4
165.12688	6.9
191.10583	2.7
209.11737	30.3
237.11208	24.9
255.12282	6.0
275.20068	10.0
293.21085	100.0
293.23883	3.6
311.20432	3.2
311.25940	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	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03951	3.7
53.18678	2.4
55.01874	10.2
55.05506	70.1
57.03433	5.1
57.07064	3.3
65.93285	2.1
67.05501	46.1
69.03423	11.5
69.07056	19.4
69.53150	7.7
69.53574	8.6
71.04994	6.1
71.08622	25.3
73.90086	2.1
74.37350	2.0
79.05485	33.8
79.05913	3.9
81.03414	28.4
81.07053	55.4
83.04982	22.7
83.08613	49.6
85.02876	2.9
85.06528	3.3
91.05472	26.0
93.07034	23.4
95.04964	41.2
95.08609	17.4
96.93646	2.6
97.06512	11.7
97.10162	38.8
98.21496	2.6
99.08079	19.2
105.07043	17.6
107.04962	7.7
107.08581	24.1
109.06492	6.0
109.10140	16.5
111.04451	12.2
111.08088	11.3
117.07040	10.2
119.08586	14.7
120.07339	2.4
121.06501	4.9
121.10125	10.9
123.08095	4.5
123.11765	2.9
125.09623	37.3
129.06978	3.2
131.08582	14.6
133.10118	10.0
135.08055	6.5
135.11676	11.8
139.11197	2.6
145.10100	13.0
147.11667	8.1
149.09630	13.4
149.13239	3.8
153.09128	6.3
153.12758	3.1
157.10120	7.0
159.11659	6.3
161.13203	2.9
163.11159	54.6
165.12801	4.1
167.10706	6.4
168.00555	2.1
173.09589	2.4
173.13176	2.9
175.11174	5.1
177.12714	7.6
181.12164	3.4
185.11713	3.3
189.11220	21.1
193.12180	12.2
195.13786	21.2
211.13310	12.1
223.13312	13.7
237.77615	2.3
247.20508	5.2
249.22128	2.9
257.19104	6.1
275.20062	41.4
293.17761	4.8
293.21085	100.0
294.21387	3.2
311.22244	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	311.2213
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01864	7.0
55.05508	24.6
56.96565	3.0
57.03416	4.4
57.07064	42.9
67.05490	41.5
69.07056	20.5
70.04060	5.6
71.04998	7.2
71.08624	6.1
79.05497	24.5
79.58730	3.9
81.03420	6.7
81.07050	39.9
83.04984	19.2
83.08613	16.5
85.85760	3.3
91.05455	15.5
93.07037	30.3
94.13512	3.7
95.04931	12.5
95.08608	27.3
97.06518	11.4
97.10165	4.4
105.07014	17.4
107.04961	8.0
107.08594	22.7
109.02838	5.6
109.06493	12.0
109.10159	21.1
111.04439	25.8
111.08020	8.1
111.65037	3.9
115.93365	3.8
116.98579	4.7
117.06982	6.7
119.08562	16.9
121.10150	10.2
123.08074	7.4
123.11658	6.5
125.05985	4.9
127.07525	3.9
131.08510	9.6
133.10109	11.5
134.99597	4.8
135.08000	4.2
135.11696	9.3
137.05946	4.6
137.09618	8.0
142.33737	3.4
145.10162	8.5
147.11665	7.0
149.02313	16.3
149.09605	9.4
151.11096	4.0
153.05458	19.1
157.10136	9.1
159.11708	8.0
163.11157	14.7
169.10095	3.6
169.12248	3.9
171.11685	3.7
181.12204	9.4
191.10652	11.0
193.04924	27.9
196.62518	9.7
200.20081	3.6
209.11699	100.0
224.65627	10.1
237.11192	82.2
255.12332	15.0
256.26349	4.2
257.18958	5.4
275.20071	38.4
279.90262	3.6
293.21014	24.0
295.65778	3.8
311.12689	4.4
311.24637	45.7
311.74637	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	311.1276
Annotation	Porphyrin
Peak:m/z	Relative Intensity
53.03930	2.5
55.01841	3.3
55.05484	4.5
56.96548	3.4
57.03412	2.9
57.07059	2.1
65.03936	1.1
67.05500	7.2
69.03397	3.3
69.07053	5.8
69.55088	8.1
70.04039	3.4
70.06576	2.4
71.04980	2.1
72.08125	3.1
79.05134	1.0
79.05487	11.7
81.03408	6.0
81.07050	11.2
83.04979	7.1
83.08590	2.6
84.08119	1.8
85.02866	2.9
85.06487	1.7
86.09693	1.8
89.03895	3.3
91.05474	9.1
93.07047	8.2
94.04166	4.2
94.06548	1.7
95.04959	6.5
95.08598	5.5
97.01624	0.9
97.02869	2.1
97.06521	6.1
97.10110	1.4
98.21503	1.1
100.07592	2.4
101.62769	1.2
103.05441	2.9
105.03386	1.6
105.06494	0.9
105.07027	10.1
107.04936	4.2
107.08564	4.6
109.02839	1.9
109.06504	6.2
109.10142	3.4
111.04402	1.3
115.05453	2.3
116.06245	1.3
116.26856	1.0
116.98587	1.0
117.03355	2.6
117.06969	2.4
118.53903	1.0
119.08555	3.8
120.08065	1.7
121.02827	3.6
121.06474	4.7
121.10105	5.9
122.03645	8.8
122.06028	2.4
123.08058	2.4
123.11649	1.3
125.09660	1.5
127.03924	1.4
127.05366	1.1
128.06169	3.5
128.11647	1.0
129.07005	5.5
131.04886	3.1
131.08521	2.9
133.06479	6.2
133.10091	2.5
134.99606	1.3
135.04396	5.9
135.08000	0.9
135.11707	1.5
137.05968	84.3
138.06239	1.4
139.11185	1.2
141.06941	2.4
144.05640	3.8
145.02818	4.3
145.06441	2.7
145.10095	2.0
147.08031	1.0
147.11678	1.7
149.04903	1.0
149.05943	6.5
149.09583	2.4
150.05463	4.0
151.07510	1.9
151.11130	1.1
153.06870	1.4
155.04903	8.0
155.08522	1.3
156.99533	1.1
157.06459	2.1
159.08038	9.9
159.11633	1.6
161.05983	10.8
161.09505	1.5
163.03896	25.6
163.07463	1.6
165.05692	1.2
165.06952	5.3
165.09077	1.1
167.08485	2.0
169.06482	2.0
171.07951	1.3
171.11674	1.2
172.05144	3.4
175.07452	3.3
177.06906	1.2
178.07680	2.1
178.45546	1.0
179.08539	2.8
180.09245	1.8
181.06470	3.3
181.10086	1.7
182.07181	1.5
183.07936	2.3
185.05872	1.3
187.07536	24.1
189.06992	6.6
190.07759	24.7
191.08531	46.0
192.08904	1.3
193.06511	1.3
193.10086	1.1
193.12213	1.6
195.08089	2.1
195.11685	1.6
196.04939	1.3
196.08821	1.4
197.05894	2.3
197.09584	1.9
199.07599	1.9
201.07036	1.2
201.09044	1.7
202.07744	2.5
203.08539	2.1
205.06425	4.7
207.08061	6.9
208.08788	7.3
209.05965	1.3
209.09483	3.2
209.13344	1.4
210.06761	1.8
211.07501	1.8
211.11066	1.3
215.06914	1.9
218.07237	13.7
219.08034	59.3
220.08759	7.3
221.05966	3.7
221.09497	2.0
222.06682	1.6
223.11095	1.2
224.08220	1.5
225.09021	3.8
226.09691	1.5
233.09555	2.2
234.06694	1.3
235.07492	9.9
236.08287	16.6
237.05254	1.3
237.09016	4.7
239.10619	3.8
246.06636	2.5
247.07542	24.3
248.08125	4.5
249.05350	2.1
249.09192	1.6
251.10641	84.5
252.10979	3.7
253.08614	8.5
261.09091	2.9
263.07065	1.8
264.07788	10.9
264.19601	1.5
265.08499	4.7
265.12076	2.6
267.10037	5.7
267.13712	1.4
268.10886	2.8
277.08365	1.2
278.09055	1.5
279.10132	65.8
280.10785	7.3
281.08057	9.4
282.05161	3.9
283.09427	1.6
283.13345	2.3
293.07980	1.8
293.11642	2.4
296.10443	11.5
311.05765	7.3
311.09360	5.0
311.12680	100.0
312.13019	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.2
54.91374	0.9
55.01864	1.7
55.05492	2.5
55.32984	0.9
57.03427	1.6
57.07046	0.9
61.88478	0.9
64.31821	0.8
66.84787	0.9
67.05487	3.4
69.03407	2.6
69.07051	2.0
69.65278	3.7
69.65714	3.2
70.06570	2.7
72.08142	1.3
79.05495	6.1
81.03384	3.8
81.07041	6.5
83.04961	3.8
84.08121	2.0
85.02896	1.4
85.06505	1.1
86.09646	1.2
91.05475	9.0
93.07049	8.4
94.04155	4.2
95.04939	3.5
95.08595	5.0
97.02865	1.9
97.06548	1.4
98.20715	1.1
99.04359	0.8
103.05422	3.1
105.07043	9.3
107.04914	3.9
107.08550	3.2
109.06513	7.9
109.10102	1.0
115.05428	2.6
119.08530	3.4
121.06455	2.1
121.10114	5.0
122.03645	12.8
123.08022	1.1
128.06152	2.8
129.06999	5.6
131.04907	1.9
131.08517	2.1
133.06496	6.7
133.10133	1.3
135.11600	2.1
136.07561	1.1
137.05968	100.0
138.04512	1.7
138.06245	2.0
144.05641	3.5
145.06471	2.1
147.11642	1.2
149.05949	5.5
149.09578	1.9
155.04915	8.0
156.05690	1.4
159.08038	8.2
161.04790	1.1
161.05978	11.8
165.06990	4.5
167.07027	1.9
171.04251	1.1
172.05234	2.3
173.04510	1.5
175.07520	4.4
177.06987	1.5
178.07788	1.6
179.08568	2.0
180.09332	1.3
187.07533	28.9
189.06987	8.1
190.06114	1.7
190.07759	28.9
190.12987	1.1
191.08546	52.7
192.08875	2.6
202.07690	2.9
203.08557	1.1
205.06488	3.8
207.08040	6.7
208.08881	6.4
210.06613	1.0
218.07242	16.5
219.08037	69.9
220.08644	9.4
221.05873	3.0
225.09012	1.5
229.07603	2.1
233.05763	1.1
233.09593	1.8
235.07495	9.8
236.08310	13.7
237.09111	3.2
246.06651	2.0
247.04886	1.5
247.07518	29.6
248.08202	4.1
249.09218	1.6
250.09937	1.4
251.10652	87.2
252.10913	4.1
253.08551	8.5
261.09058	3.0
263.06937	2.7
264.07809	11.2
265.08542	4.5
268.10803	1.9
278.09283	1.7
279.10144	67.2
280.10733	8.0
281.08069	11.9
283.09711	1.7
283.13052	2.4
295.09393	1.9
296.10397	11.4
311.12677	64.9
312.12991	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	311.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
56.05012	1.1
56.60489	0.6
56.96577	0.7
60.28053	0.5
69.03420	1.2
69.07066	0.8
70.04063	0.6
70.06585	5.2
70.84796	1.7
71.06920	1.4
80.32060	0.5
81.36185	0.5
84.04504	11.4
84.08131	1.9
85.02906	0.7
86.09689	1.1
91.05473	1.2
95.04947	2.3
97.02871	1.1
102.05533	1.3
119.04940	3.2
120.08093	1.4
123.04420	6.1
126.05437	0.5
127.03910	0.6
130.05006	6.6
136.07593	0.7
137.05975	1.3
147.04399	2.6
148.06070	4.1
149.02095	25.7
165.05507	3.0
185.02905	2.1
185.04230	7.4
203.04012	1.5
214.12746	1.3
227.04193	0.6
288.83847	0.7
311.07352	100.0
312.07654	1.7
312.10855	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	310.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01855	5.9
55.05492	10.5
56.05027	4.1
56.94275	2.9
56.96561	7.5
57.03438	24.5
57.07057	2.9
57.94810	2.6
60.34702	3.1
67.05497	40.9
69.03424	27.3
69.07054	11.4
69.53052	24.3
70.03749	3.1
70.04075	42.1
70.06585	8.4
72.93775	3.5
73.02892	2.8
79.05064	4.4
79.05492	69.3
81.03416	4.9
81.07050	35.7
82.07357	4.3
83.04964	5.2
83.08606	5.5
84.04501	11.4
85.02935	5.0
86.06065	100.0
87.04465	68.1
90.94814	7.1
91.05463	14.3
93.07031	12.6
94.06559	3.8
94.07359	3.7
95.04964	67.3
95.08587	15.1
97.02868	3.8
97.06525	11.2
98.06065	24.5
102.05509	4.1
104.07106	21.7
105.07022	25.2
107.04929	4.3
107.08586	20.4
108.08929	3.1
109.02853	3.0
109.06480	8.2
109.10151	20.3
110.06038	4.9
111.04456	2.8
112.07605	8.2
117.07022	5.1
119.08562	6.1
121.06464	4.6
121.10153	3.3
122.09657	12.5
122.26877	2.9
123.08040	16.2
124.07599	7.3
125.09615	4.4
127.01179	3.3
131.08569	5.0
132.08125	4.3
133.06480	10.3
134.09634	3.2
134.10518	3.1
135.08051	12.3
136.06160	5.7
137.06024	3.2
147.11633	3.1
148.99168	3.5
150.09085	7.0
151.07518	15.7
152.10695	26.7
162.09050	4.7
162.61501	3.0
164.10780	3.3
165.03517	3.4
176.98508	3.9
179.10640	3.6
180.10179	52.5
186.66843	3.5
187.07672	3.6
189.09137	3.5
190.12251	8.7
191.00137	3.0
196.09659	5.3
198.11249	9.0
208.09586	5.0
208.13290	6.7
215.06979	9.2
218.67380	4.3
228.90910	3.3
229.07597	4.7
231.58138	4.1
236.12799	4.1
247.08562	4.9
251.07249	11.0
254.13864	13.5
264.12262	17.8
264.15512	5.1
269.05447	3.2
269.08279	23.7
292.10214	4.5
310.16577	75.1
311.12769	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	310.1466
Annotation	SB 218655
Peak:m/z	Relative Intensity
52.36042	0.6
53.03940	0.7
55.05506	7.5
56.05027	0.8
56.96529	0.6
57.03432	0.7
57.07065	0.9
58.89566	0.5
58.99587	3.4
60.04499	1.6
65.03191	0.5
65.03937	0.6
67.05490	1.5
68.05015	0.6
69.03415	1.7
69.07044	2.0
70.02946	3.5
70.04072	4.0
70.06586	8.3
71.60204	0.6
71.68333	0.7
72.08141	2.2
73.02892	0.6
76.02200	2.0
78.01793	1.4
79.05477	2.8
80.31087	0.6
81.03384	0.6
81.07037	3.8
83.04975	12.5
84.04481	2.2
84.08141	5.6
85.01111	1.1
86.09709	4.5
86.99023	1.2
88.03985	38.4
91.05470	4.1
93.07040	2.8
95.04965	1.6
95.08589	2.1
97.01093	0.8
97.06506	0.9
101.06001	0.8
103.05443	1.8
105.00130	0.6
105.06304	1.1
105.07018	22.2
106.07854	1.2
107.04937	1.2
107.07372	0.8
107.08584	9.6
108.08116	2.7
109.06522	1.3
109.10142	0.9
110.07144	1.4
111.02654	4.6
113.46470	0.5
116.07083	1.3
117.07030	1.5
119.04902	1.9
119.08570	12.9
120.01155	1.1
120.08075	2.6
121.06501	0.6
121.08904	1.1
121.10149	4.1
121.35880	0.6
122.02667	1.2
122.09626	2.6
123.02662	0.6
123.04430	0.9
123.08040	1.0
124.07553	0.6
125.04196	5.1
125.09637	0.5
126.03745	1.2
127.03896	0.7
127.05823	0.7
129.06982	0.8
129.10194	1.8
130.05031	0.8
131.08521	2.5
133.06458	3.8
133.10106	6.1
135.08057	1.0
136.07570	8.7
136.08563	1.0
137.04193	30.3
139.05757	18.5
140.05244	1.9
141.07274	0.7
143.08571	0.9
144.09329	1.3
145.10132	5.6
146.02687	1.3
146.10844	0.8
147.04359	1.7
147.08040	2.9
147.11678	16.7
147.85112	0.7
148.11276	0.8
149.04155	1.0
149.09601	0.8
149.13281	0.9
150.09094	1.4
151.05742	1.7
155.05199	0.8
156.09288	0.9
157.10040	0.7
159.07948	0.6
159.11670	9.2
160.11110	0.7
160.12334	0.6
161.09612	3.1
161.13248	11.6
163.05746	3.5
164.14323	0.9
165.03674	0.9
165.05511	1.1
165.07285	2.7
165.12714	1.9
166.06851	3.7
166.08083	0.6
167.05272	2.9
170.10883	0.8
171.11600	1.0
172.04228	2.7
172.08795	1.2
173.09624	0.8
174.10358	2.1
175.11058	1.2
177.07280	0.6
179.05307	0.7
179.08899	5.4
180.08417	1.6
181.04362	1.0
181.10445	11.0
182.08090	1.0
184.07356	0.6
185.02968	0.9
187.11148	5.4
188.11931	1.9
189.12723	23.1
191.14276	5.2
193.10481	4.1
205.10468	1.2
205.12724	0.7
205.14581	4.1
206.09947	0.8
206.15375	1.7
208.07915	2.6
209.06264	2.5
212.07391	10.4
213.12343	1.9
221.09932	14.0
223.11501	32.4
224.11641	0.7
226.08971	9.0
228.10443	0.9
246.11189	1.1
247.11549	1.2
251.10944	2.6
252.10605	3.9
253.11011	0.9
254.08423	1.1
264.11880	1.1
264.14224	1.8
292.13678	2.2
293.12070	3.3
310.14676	100.0
311.14978	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	310.1466
Annotation	SB 218655
Peak:m/z	Relative Intensity
53.03931	1.6
55.01863	1.5
55.05508	19.3
56.59412	1.3
57.03418	2.1
57.07068	2.5
58.99575	12.8
59.96705	1.2
67.05482	4.1
68.05019	14.3
69.03404	2.7
69.07037	3.6
70.04071	6.6
70.06579	2.2
70.60512	2.7
70.60896	2.1
73.01138	1.8
79.05477	4.3
80.78648	1.4
81.03402	2.7
81.07066	6.0
83.04975	35.3
83.08596	2.9
83.15762	1.4
86.99039	7.5
88.03976	3.3
91.05453	5.7
93.07049	6.8
95.04945	9.5
95.08581	5.8
96.05277	3.7
97.01085	2.4
97.06509	2.5
100.02195	7.2
103.05432	2.5
105.00116	7.8
105.07018	8.8
106.06527	1.1
107.04897	1.5
107.07336	1.3
107.08594	8.9
108.08173	1.8
109.02831	1.2
109.06483	5.8
117.07035	1.6
119.08565	6.4
121.06472	2.6
121.08889	7.3
121.10087	3.4
122.09638	8.0
123.04444	5.1
123.08026	6.0
123.11660	1.5
124.04765	1.7
124.07596	3.1
125.09634	1.5
126.03731	26.9
131.08533	1.5
132.08043	1.3
133.06447	4.4
133.07465	1.2
133.10126	1.6
136.07545	2.4
137.04193	100.0
137.05923	5.5
137.13237	1.9
138.04517	2.0
139.02068	2.9
139.05777	7.2
145.10074	2.0
146.02698	20.7
146.09534	2.2
147.11620	5.8
148.03380	1.7
150.09148	2.8
159.11720	1.3
161.13208	2.4
163.05730	5.6
164.11490	2.0
165.03711	9.2
165.12750	12.4
167.05249	2.5
170.08081	4.1
171.11671	1.3
172.04266	82.8
179.08902	6.7
183.15631	1.5
187.07521	2.5
187.11111	2.0
189.12672	7.1
191.08502	3.1
193.10475	1.5
206.15317	5.7
209.06277	16.6
211.04311	1.3
211.08025	1.7
212.07503	2.0
219.07959	2.0
221.09912	10.9
223.11481	4.6
226.08919	5.7
228.10448	8.1
236.13551	5.2
237.05592	1.8
251.10704	3.8
254.08412	3.6
264.14145	3.8
279.10004	4.2
288.14001	1.4
292.13474	3.2
293.12021	3.7
310.14627	78.4
310.20297	3.8
311.05429	4.7
311.12570	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	310.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
56.05033	3.6
57.03436	0.6
57.98792	0.9
58.99286	0.7
58.99581	13.8
67.05506	0.5
70.04070	4.6
70.06584	2.7
71.34872	0.4
72.04507	0.4
72.08132	0.5
74.06077	8.3
79.05502	0.4
82.19565	0.3
83.57195	0.4
84.04481	1.1
84.08143	1.7
86.00656	0.3
86.06071	0.3
86.09698	1.0
86.99057	2.2
88.02225	0.5
91.05471	0.5
92.76643	0.3
95.04967	1.1
96.90469	0.3
102.05530	2.7
105.00069	0.7
105.04507	4.2
105.07037	0.4
106.02898	0.3
111.03164	0.4
114.03765	1.8
116.01709	1.7
116.07107	0.6
120.06569	1.1
120.08067	0.8
120.17770	0.4
122.00602	1.1
123.01395	4.4
124.02190	0.7
124.04814	0.3
124.07601	0.4
129.10234	0.6
130.05013	0.4
131.06013	0.5
133.10088	0.3
136.02174	2.4
137.05925	0.5
139.03256	0.6
140.63187	0.4
142.03215	8.2
144.01152	0.4
160.04271	6.0
162.02415	0.4
163.03241	100.0
164.04031	39.3
165.04868	2.6
170.02708	1.6
170.06018	0.5
171.99274	0.3
175.19138	0.3
179.02684	0.4
188.03743	3.6
191.02766	1.0
206.04799	0.7
209.03798	13.6
220.05310	0.4
234.59230	0.4
236.13518	0.5
237.35631	0.3
246.06961	3.0
248.08504	7.1
264.08008	12.7
266.05939	2.6
274.06467	0.6
292.07480	21.4
293.07724	0.8
310.08539	35.6
310.14511	1.0
311.08813	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	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.68373	1.1
52.70437	1.1
53.03934	3.6
55.01866	5.1
55.05505	33.8
56.96547	2.7
57.03436	7.9
57.07067	14.7
59.04987	5.4
65.03912	1.2
67.05498	40.0
69.03422	6.1
69.07063	100.0
70.04069	9.4
70.06596	1.7
70.16640	3.3
71.04980	4.3
71.08624	5.8
72.08141	1.5
72.93778	1.4
73.06544	4.7
76.02218	2.0
79.05482	16.6
81.03426	8.0
81.07050	89.5
82.07406	1.7
83.04968	5.6
83.08609	30.8
83.09107	1.6
84.08158	1.3
85.02885	2.6
85.06528	13.8
91.05468	10.5
93.07037	42.7
95.04947	8.5
95.08597	83.8
97.02880	3.8
97.06517	16.9
97.10147	10.3
99.04444	1.4
99.08080	7.5
101.05997	1.6
105.07023	12.7
107.08588	35.1
108.08938	1.2
109.02866	7.1
109.06499	6.7
109.10143	43.5
111.04469	1.7
111.08083	19.0
111.11714	20.8
113.09637	1.5
115.07561	1.6
116.98611	1.7
119.04964	1.3
119.08579	9.3
121.06512	1.8
121.10119	17.8
123.08096	3.5
123.11697	33.0
125.09637	5.7
125.13272	3.5
127.03909	1.8
127.11235	2.4
129.06979	1.3
131.08578	2.5
133.10104	7.1
135.08037	3.0
135.11671	20.0
136.06200	1.3
137.09601	8.2
137.13240	9.6
139.11162	3.2
144.16812	1.3
145.02827	2.8
145.06578	1.5
145.10121	2.5
147.04410	4.3
147.08005	2.4
147.11676	8.3
149.09607	1.4
149.13255	26.1
149.95894	1.0
151.11214	1.5
151.14804	3.3
153.12735	26.9
155.14296	1.1
157.10121	1.7
158.99757	1.1
159.11681	2.0
161.09567	1.5
161.13254	3.8
163.11171	2.3
163.14813	5.1
165.09044	5.6
165.12744	2.9
167.14322	8.2
170.99428	1.1
171.13861	1.3
175.14879	1.3
177.05492	3.4
177.16350	2.1
179.14275	1.3
180.97729	1.1
183.13947	1.1
191.17975	1.5
234.06889	1.1
260.16519	2.9
273.18509	2.0
273.25647	2.4
277.08609	1.4
278.17563	2.7
281.11926	1.2
289.86942	1.1
291.19534	2.7
291.23300	2.3
291.26651	9.4
309.07544	1.5
309.13351	4.2
309.20651	4.0
309.27863	26.2
310.14282	1.4
310.28033	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03935	5.6
55.01869	3.1
55.05504	21.9
57.03422	3.2
57.07069	3.2
65.03931	2.4
65.67949	1.4
67.05499	44.3
69.03419	2.0
69.07063	18.6
70.04069	4.9
71.04983	3.3
71.08625	50.6
73.06564	1.2
79.05486	46.8
81.03421	9.7
81.07047	51.6
83.04978	11.9
83.08612	10.8
85.06524	4.8
91.05475	29.3
93.07035	64.2
95.04959	13.2
95.08595	41.2
97.06518	10.7
97.10159	3.8
98.20701	2.5
99.08084	45.0
105.07024	18.3
107.04965	6.8
107.08582	31.0
109.06495	3.0
109.10149	13.5
111.08078	2.4
113.09641	2.8
117.06987	5.6
119.08577	16.9
121.06471	2.4
121.10134	29.9
123.04397	1.5
123.08037	2.6
123.11682	1.7
127.11154	1.5
129.07002	2.4
131.08571	5.2
132.14966	1.4
133.10129	12.7
135.11673	38.3
137.09601	7.0
137.13202	1.1
139.11182	3.4
141.09068	3.9
143.08563	2.4
145.10043	6.5
147.11684	7.0
149.13249	9.9
151.11166	23.2
153.12726	3.7
157.10104	2.3
159.11681	3.9
161.13223	12.1
163.11183	8.5
163.14745	3.2
165.09090	1.3
165.12790	1.9
167.10663	3.6
171.11720	2.4
173.13260	1.5
177.12750	4.2
179.14294	100.0
185.13185	2.6
189.12782	3.5
193.15936	1.1
195.13844	2.2
216.26877	1.2
221.15396	4.6
228.58533	1.5
235.13286	2.0
235.16833	2.9
241.19455	3.4
259.20508	5.9
277.21579	46.7
309.24326	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	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03936	3.6
55.01865	5.4
55.05259	2.3
55.05508	34.7
56.96571	9.5
57.03434	6.7
57.07071	18.5
58.82949	1.4
59.05000	13.4
67.05503	43.6
69.03420	8.7
69.07064	87.2
69.70720	3.2
69.71132	4.9
70.04072	14.4
70.06581	2.3
70.07385	1.9
71.04984	7.9
71.08616	6.8
72.93769	1.9
73.06514	3.3
79.05494	21.8
81.03413	15.0
81.07051	100.0
82.07361	2.6
83.04989	5.0
83.08614	39.1
84.08150	4.1
85.02898	4.1
85.06538	12.7
85.10163	2.1
86.09708	2.1
90.94826	2.7
91.05474	17.1
92.35318	1.4
93.07035	36.1
94.07348	1.5
95.04956	10.9
95.08602	86.8
96.08918	1.8
96.21028	1.4
96.63333	1.3
97.02868	5.1
97.06522	16.5
97.10152	13.2
98.97598	1.9
99.08094	7.7
101.06033	1.2
103.05485	1.5
105.07027	19.0
105.14834	1.2
107.04979	4.1
107.08588	36.0
109.02875	13.1
109.06510	9.6
109.10149	53.8
110.03683	1.4
111.04421	4.3
111.08080	34.5
111.11688	7.3
113.05994	1.5
113.09654	2.6
115.05465	1.2
116.59848	1.4
116.98634	2.1
117.03322	1.9
117.07015	2.7
117.09138	1.6
119.04939	3.1
119.08590	13.7
121.06484	2.4
121.10136	22.2
123.08045	4.4
123.11703	42.1
124.12027	1.4
125.02369	2.3
125.06026	2.3
125.09611	5.4
125.13261	4.2
127.03933	7.1
127.07624	1.5
129.06999	2.4
131.08563	3.4
133.06483	2.2
133.10143	10.2
134.99657	2.0
135.08093	6.5
135.11682	15.1
136.06149	1.9
136.07529	1.5
137.05978	2.5
137.09613	19.1
137.13249	16.8
139.11159	7.7
143.08600	1.5
145.02818	2.7
145.10123	2.7
147.04416	8.6
147.11670	11.1
149.09621	1.8
149.13257	14.4
151.11186	2.5
151.14824	2.7
153.09108	1.7
153.12700	9.7
157.10139	3.2
161.13252	7.7
163.03876	1.4
163.11139	1.4
163.14824	8.9
165.09117	11.1
165.12732	8.1
165.16344	1.4
167.06990	1.4
167.14371	1.9
171.11653	1.9
175.14803	2.6
177.00728	1.7
177.05475	5.4
177.16406	6.9
178.07848	1.3
179.14323	3.0
179.17918	2.5
189.16382	2.7
191.17946	3.0
193.12099	1.4
193.15981	1.6
193.19414	1.7
195.17401	1.9
203.17955	2.4
205.19601	1.4
206.07309	1.5
209.18951	2.1
217.19496	4.5
219.08096	1.7
221.09642	2.3
227.80888	1.6
235.07629	1.6
235.20486	1.5
251.07002	2.0
263.06992	1.6
269.10559	12.3
273.18451	3.5
273.25714	7.6
274.25934	1.4
277.08661	4.1
278.09018	1.6
279.26730	2.0
281.11649	2.4
286.08200	3.8
287.11624	13.9
291.12286	2.0
291.19504	2.1
291.26779	16.8
304.92816	1.6
309.07458	3.3
309.13715	11.5
309.17886	2.5
309.21118	2.9
309.24240	1.8
309.27789	24.9
310.14310	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.21378	3.2
53.03942	7.4
55.01867	8.2
55.05508	48.0
56.90697	4.2
57.03432	7.2
57.07081	17.0
59.04994	3.2
65.03940	4.5
67.05503	73.4
69.07062	32.7
70.04071	42.6
70.74046	10.4
70.79494	3.0
71.08620	23.8
79.05495	55.9
81.03399	6.8
81.07047	74.7
83.04991	16.5
83.08611	22.6
85.06536	11.1
86.19892	3.3
91.05471	40.9
93.07039	77.6
95.04954	34.2
95.08598	57.1
97.06527	15.2
97.10162	17.6
98.06073	5.4
99.08101	18.1
105.07021	26.9
107.04888	4.2
107.08581	37.4
109.06500	9.7
109.10152	26.8
111.08092	9.2
113.09635	4.3
117.07043	10.3
119.08575	32.5
121.06451	5.5
121.10144	38.0
123.04395	4.7
123.08028	9.2
123.11707	6.7
125.09606	7.8
129.07002	8.5
131.08592	11.2
133.06516	4.7
133.10110	22.3
135.11656	18.1
136.06137	3.7
137.09584	5.9
139.07530	3.7
139.11176	8.4
143.08536	5.7
145.10107	11.3
147.08112	5.0
147.11632	22.4
149.13261	9.5
151.11232	16.6
153.09196	4.8
153.12726	3.5
157.10170	9.5
159.11600	7.0
161.13232	15.0
163.11223	9.3
165.12766	12.9
171.11656	9.0
175.11189	4.1
179.14217	5.2
185.13188	6.3
193.12195	4.7
197.13257	3.6
203.12657	4.4
207.13724	5.5
217.19472	4.1
221.15514	5.2
229.78923	3.5
231.21054	8.0
241.19463	10.4
249.22214	6.5
259.20560	10.7
277.21616	100.0
291.19794	5.8
291.23108	7.8
295.22778	5.6
309.15643	5.2
309.21008	5.5
309.24301	40.8
309.29749	52.2
310.14899	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	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03929	6.5
55.01634	3.4
55.01868	24.0
55.05505	36.1
65.03896	3.8
66.92584	2.6
67.05502	83.8
69.03410	6.2
69.07061	33.1
69.38340	7.5
69.38757	17.4
70.04067	23.7
71.04974	10.4
71.08604	6.2
79.05493	56.9
81.03392	7.0
81.07053	100.0
83.01315	3.0
83.04986	16.3
83.08618	14.0
85.02885	5.3
85.06519	10.2
91.04964	4.9
91.05482	57.4
93.07039	52.0
95.04969	14.3
95.08601	35.7
97.02835	3.4
97.06513	13.3
99.04433	4.0
99.08084	6.2
105.07030	60.9
107.04938	11.0
107.08594	54.4
109.06530	13.7
109.10152	85.2
111.04411	9.1
111.08060	10.6
117.07007	10.8
119.08568	24.4
121.06480	10.4
121.10126	11.3
123.08036	8.4
123.11687	14.0
125.09617	5.9
127.07500	4.1
129.06984	8.7
129.80705	3.0
131.08568	18.0
133.06465	8.2
133.09096	5.0
133.10114	98.6
135.08037	4.9
135.11685	10.4
137.09566	7.2
139.07555	7.8
141.15958	3.1
143.08513	9.6
145.10107	9.5
147.08028	12.0
147.11656	10.2
149.09572	3.4
151.11165	65.8
153.09254	3.2
153.68221	2.9
157.10124	6.1
159.08063	4.6
161.09618	12.7
161.13147	4.5
163.11131	4.0
164.98409	7.8
165.09120	5.0
165.12779	2.9
169.12209	11.6
171.11610	4.7
175.11200	4.9
179.10493	3.9
181.08582	4.6
187.14825	3.1
189.12691	3.6
193.12355	2.8
203.14235	3.0
215.12837	3.0
217.12152	4.3
245.19012	12.6
255.17323	5.4
263.20026	16.2
273.18515	33.9
291.19528	66.4
292.19821	3.0
309.20599	22.0
309.23788	3.7
310.15045	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	309.2055
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.42293	0.9
53.03933	2.6
54.31667	0.8
54.83506	0.9
55.01862	4.4
55.05505	19.7
57.03416	2.0
65.03945	1.0
67.05496	27.5
69.03413	1.3
69.07057	6.8
70.04050	6.2
71.04980	2.1
71.30700	1.9
78.74149	0.9
79.05483	41.6
79.45335	1.1
81.03402	2.5
81.07053	18.4
83.04968	3.7
83.08605	8.3
85.06516	1.2
89.24960	1.0
91.05473	19.4
93.07036	17.9
94.92667	0.9
95.04958	9.9
95.08599	9.7
97.06507	1.4
97.10164	13.3
105.07014	11.0
107.04943	100.0
107.08580	17.9
108.05209	1.3
109.06509	3.1
109.10140	19.6
110.10503	1.3
115.05449	1.8
117.07011	9.5
119.08565	21.4
121.06482	1.4
121.10117	6.9
123.08041	1.7
125.09614	8.2
128.06206	1.2
129.07002	3.0
131.08539	6.8
133.06516	2.2
133.10103	4.8
135.08034	42.7
135.11642	2.9
136.08289	1.4
137.09621	7.3
143.08533	3.3
145.10118	7.0
145.96870	1.0
147.08015	9.2
147.11694	2.2
149.09598	4.3
153.12759	1.2
155.10677	2.4
157.10129	3.4
159.08058	1.4
159.11679	2.4
161.09645	2.7
163.11160	2.0
165.09125	2.6
171.11641	1.7
173.11728	18.8
175.11201	1.5
189.11203	4.6
189.12755	1.2
227.17903	2.1
255.17368	1.2
273.18454	15.1
291.19495	21.5
292.19772	1.4
309.15781	1.5
309.21872	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.221
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03945	10.1
55.01862	7.0
55.05508	38.2
56.14889	4.3
57.03429	5.0
57.07053	10.5
65.03945	6.8
67.05505	61.5
69.07059	35.4
70.04069	26.6
70.73999	12.1
71.04353	3.9
71.04968	5.0
71.08614	22.2
79.05495	49.1
81.03407	14.1
81.07055	62.6
83.04980	9.4
83.08606	16.4
86.71700	4.0
90.94836	4.3
91.05475	49.2
93.07038	74.4
94.07394	4.1
95.04966	54.3
95.08607	51.5
97.06522	23.6
97.10156	8.6
99.08102	24.1
103.05457	4.0
105.07021	84.9
107.08591	50.4
109.06500	13.7
109.10152	34.0
111.08110	5.1
113.09669	5.2
117.07004	20.8
119.08563	70.5
121.06498	10.4
121.10137	82.7
123.08060	14.6
123.11685	7.7
125.09612	16.1
128.06227	6.6
129.07014	9.6
130.07706	6.0
131.08577	37.4
133.10120	34.0
134.66519	4.0
135.08072	10.2
135.11673	16.9
139.07523	4.8
142.07768	15.6
143.08549	24.4
144.09288	6.8
145.10117	47.9
147.11642	20.1
149.13286	7.8
151.11172	13.5
155.08569	8.2
156.09334	9.1
157.10098	38.3
159.11684	33.5
161.09621	9.6
161.13239	14.4
163.11119	7.5
164.98433	12.1
169.10097	17.5
171.11699	22.2
173.09631	6.4
173.13263	16.9
175.11186	6.7
175.14771	11.4
179.08589	6.8
181.10045	10.1
183.11676	19.4
185.13263	12.8
187.11082	9.7
187.14827	15.6
189.12781	8.5
194.10957	5.2
195.11688	6.1
197.13214	10.1
199.14706	10.4
201.16344	5.3
203.12776	6.6
206.99481	4.5
207.11696	8.5
209.13275	10.8
210.13890	4.2
211.14783	11.1
214.09361	4.4
215.14369	7.0
221.13275	7.3
225.16388	12.0
235.14828	12.2
239.14250	4.2
239.17877	6.7
249.16286	6.5
253.15883	13.8
253.19522	5.6
259.20609	9.1
277.21640	36.7
281.22632	8.1
290.35007	4.4
291.21219	7.0
309.15912	7.0
309.22021	100.0
310.15656	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03934	2.4
55.01859	4.5
55.05505	29.7
57.03431	2.0
57.07078	1.4
59.04993	1.2
67.05164	1.6
67.05496	16.6
69.03424	3.8
69.07056	11.5
69.27112	2.1
69.27437	11.4
70.04070	5.6
71.04993	1.2
79.05488	18.2
81.03413	2.7
81.07050	21.6
83.04977	4.5
83.08604	14.1
85.06476	1.3
86.09786	1.1
91.05457	10.1
93.07030	12.5
95.04964	6.6
95.08606	10.1
97.06529	2.3
97.10162	22.0
98.20600	0.9
99.08102	1.1
101.09645	1.0
105.07028	9.1
107.04955	3.6
107.08586	10.4
109.02872	1.3
109.06512	2.4
109.10154	3.7
111.04448	3.4
111.08090	2.0
112.00931	1.0
113.08263	0.9
115.05447	0.9
117.07011	3.5
119.04964	1.2
119.08565	7.0
121.06496	1.9
121.10117	4.6
123.04489	1.4
123.08047	9.4
123.11713	1.6
125.09612	17.3
129.07022	2.6
131.08540	5.4
133.06462	2.5
133.10109	3.5
134.34688	1.0
135.08022	3.1
135.11650	1.7
137.09625	1.7
143.08557	2.2
145.10120	3.4
147.08038	3.9
147.11708	2.4
149.09602	1.3
153.09145	1.2
157.10112	1.6
159.11617	1.3
161.09631	1.8
162.10425	1.2
163.11142	2.1
165.09074	2.5
171.11714	1.6
175.11253	1.6
181.12300	1.1
184.07422	1.3
189.11200	11.2
189.12744	1.5
191.10669	1.6
223.13304	3.0
245.18976	2.0
249.14926	2.4
255.17549	1.7
263.20099	2.0
273.18469	11.8
291.19507	100.0
292.19797	5.0
309.15582	1.2
309.20584	5.0
309.23999	1.6
310.14917	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	309.2054
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03942	5.0
55.01860	6.3
55.05507	24.7
57.03421	2.9
57.07046	2.0
59.04979	3.0
61.75473	1.5
61.77254	1.6
65.03931	3.7
67.05503	33.7
68.05825	1.7
69.03420	2.7
69.07053	9.3
70.04075	8.5
70.78407	2.3
70.78748	4.4
71.04982	3.0
79.05491	49.0
79.87126	1.7
81.03428	3.5
81.07053	24.5
83.04980	1.9
83.08635	10.5
89.98267	1.9
91.05473	21.7
93.07044	23.0
94.04210	2.2
95.04962	11.1
95.08597	16.0
97.06578	2.0
97.10165	12.6
105.07020	11.5
106.40406	1.7
107.04946	100.0
107.08591	19.8
109.06530	2.0
109.10152	26.2
110.88288	1.7
111.08089	2.7
115.05431	2.1
117.07015	10.8
119.08568	24.5
121.06493	3.0
121.10147	12.7
122.03677	2.4
123.03953	2.3
123.08078	2.6
125.09614	12.9
129.07031	3.4
131.08554	10.5
133.10144	3.4
135.08040	45.6
135.08980	3.3
135.11714	2.8
136.08400	2.7
137.05971	36.8
137.09596	9.2
138.06313	26.7
141.72926	1.7
143.08542	4.6
145.10123	7.6
147.07988	8.6
147.11700	2.6
148.08833	1.9
149.09566	4.3
155.10713	2.5
157.10106	5.1
159.11617	2.3
161.09622	3.5
161.13216	1.9
163.11185	2.0
164.98439	2.0
165.09085	4.2
171.10178	2.8
173.11711	20.2
183.97429	1.6
185.13496	1.9
189.11153	3.5
222.66917	1.8
237.16373	2.4
245.19087	2.2
255.17458	2.6
273.18457	15.0
291.19534	32.4
291.22565	1.2
309.21213	2.3
309.24478	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01860	4.8
55.05504	3.5
57.03428	33.9
63.46025	1.9
67.05496	29.8
69.07064	3.8
70.54994	7.4
71.04977	3.9
77.59911	1.8
79.05483	17.8
81.03394	2.3
81.07043	14.1
83.04972	3.6
83.08598	4.4
85.06530	33.4
91.05462	11.0
93.07026	10.4
95.04957	32.8
95.08571	6.4
96.86389	2.0
105.07021	6.7
107.04948	5.4
107.08572	10.3
109.06504	46.1
109.10134	3.0
113.05991	100.0
117.07003	6.0
119.08558	5.2
121.06480	2.5
121.10179	2.1
129.06958	3.8
131.08546	7.8
131.69806	1.7
133.36324	1.8
135.07104	2.6
135.08046	33.9
135.11673	4.5
143.08553	3.5
145.10114	7.0
149.09529	3.3
157.10114	3.9
161.09555	4.5
171.11685	1.8
177.12721	2.1
180.90128	1.8
187.33781	1.9
199.14778	3.3
216.75543	1.7
217.15837	11.2
255.17584	3.3
273.18460	12.3
291.19504	38.8
309.20676	2.7
331.54233	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	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03938	1.8
55.01870	27.1
55.05505	9.4
56.96567	1.2
57.03414	2.1
58.05487	1.0
61.78254	1.1
65.03925	1.4
67.05502	20.4
69.03410	1.7
69.07071	8.4
69.86721	5.1
71.04977	2.1
74.99893	0.9
79.05493	8.5
79.18090	1.0
81.03419	5.2
81.07054	10.9
83.04975	26.7
83.08596	3.2
91.05477	9.4
93.03388	0.9
93.07036	10.9
95.04963	8.4
95.08610	10.0
97.06527	17.0
97.10149	3.9
99.04454	20.1
99.08094	1.0
105.07016	5.3
107.04951	6.9
107.08595	6.0
109.06494	5.1
109.10162	9.5
111.04439	100.0
111.08047	1.3
112.04791	1.0
115.05436	1.0
117.06978	2.6
119.08579	3.9
120.08828	0.9
121.06498	2.8
121.10141	2.7
123.08077	4.7
125.09601	3.4
129.06992	1.5
131.08566	2.9
133.10104	4.9
135.08064	3.6
137.05959	1.4
137.09613	8.2
143.08511	1.9
145.10129	1.5
147.08035	1.7
147.11647	1.2
149.09650	6.4
153.09100	20.4
157.10085	1.4
161.09613	6.8
163.11246	2.1
171.11749	1.2
173.11731	2.9
173.13173	1.1
175.11205	3.7
177.12749	1.4
179.10573	1.1
185.13188	1.3
189.12759	1.1
193.12260	2.8
195.13863	1.2
221.11650	1.3
227.17926	1.3
235.13200	1.6
245.04883	1.0
249.18604	1.0
255.17401	1.5
263.20062	4.9
267.15823	2.3
273.18475	8.4
291.14438	1.1
291.19547	23.5
309.20593	13.2
310.20886	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	309.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.9
55.01864	8.8
55.05506	21.3
56.96548	5.8
57.03430	22.1
57.07056	3.6
65.03923	5.8
66.90151	1.3
67.05498	70.1
68.05828	1.2
69.03422	12.3
69.07052	13.0
70.04072	11.2
70.06571	3.6
71.01340	5.0
71.04990	6.8
71.08624	1.8
72.08128	2.3
72.93764	1.3
73.02916	1.3
74.67487	1.0
79.05060	2.4
79.05489	35.7
79.05951	2.3
81.03410	70.3
81.07048	66.3
83.01269	1.3
83.04974	14.4
83.08608	7.9
84.08136	4.5
85.02907	6.1
85.06527	3.2
86.09693	3.2
90.94803	1.5
91.05473	35.4
93.06465	2.0
93.07036	33.4
95.04961	100.0
95.08041	2.0
95.08600	22.3
97.02893	9.5
97.06509	6.9
97.10146	6.8
98.06039	1.1
98.31570	1.2
98.97568	1.5
99.04436	5.6
99.08063	2.5
101.06004	1.4
103.03941	5.9
103.05433	1.9
105.07017	19.9
107.04939	17.3
107.08585	29.6
109.02106	2.4
109.02863	53.4
109.06514	14.2
109.10144	67.4
110.03674	9.3
110.10461	1.7
111.04426	11.4
111.08086	6.6
115.05441	1.4
116.98602	2.3
117.03435	1.3
117.06999	11.4
119.04917	18.7
119.08560	17.8
121.02844	2.4
121.06503	9.4
121.10117	10.6
123.04414	56.3
123.08043	4.5
123.11667	4.4
125.02341	8.0
125.09629	6.8
127.03899	19.1
127.07528	1.7
128.06221	2.3
129.07031	9.5
131.04930	3.4
131.08560	8.3
133.06476	3.5
133.10103	8.0
133.12822	1.2
134.99606	1.3
135.04405	1.8
135.08054	25.9
135.11684	13.1
136.07545	1.3
137.05965	7.9
137.09601	67.2
139.11147	1.7
143.08531	6.9
145.06458	2.3
145.10103	18.3
147.04393	64.0
147.08037	9.7
147.11678	7.5
148.04755	2.8
149.05873	2.3
149.09583	6.6
151.05870	1.4
151.07471	1.6
151.11160	2.6
153.09085	3.4
155.08507	2.3
155.10606	3.3
156.09337	1.8
157.10081	3.3
159.11665	2.0
161.09550	2.6
161.13202	2.7
163.03900	1.7
163.07504	4.7
163.11182	22.2
164.98422	4.2
165.05447	3.8
165.06999	2.0
165.09097	40.6
165.10493	2.2
165.12740	2.3
171.11629	10.6
173.09610	6.7
175.07509	2.4
175.11139	2.0
177.05460	6.2
181.08540	3.5
183.10071	1.9
189.11203	2.5
189.12700	13.0
190.07758	1.4
191.10614	7.0
191.14395	1.4
193.12218	2.2
195.06372	1.5
199.11163	2.5
206.99487	2.0
207.13770	15.6
215.03148	1.4
217.12215	8.5
221.06052	1.9
221.09592	1.9
234.06718	3.4
235.07533	1.8
235.13261	51.1
236.13461	1.4
245.15341	2.3
249.09085	3.1
251.06996	3.1
253.14340	1.8
263.12866	2.1
263.16357	3.5
265.08664	1.9
266.09143	1.7
277.08609	7.0
281.11716	2.5
291.08621	8.1
291.12158	3.5
291.15479	1.4
294.08844	3.3
309.07437	2.9
309.13239	64.0
309.16907	57.5
309.20584	2.2
309.24353	1.7
310.07251	1.9
310.13672	3.7
310.17200	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01871	9.3
55.05259	1.4
55.05507	17.6
56.96568	0.9
57.03152	1.1
57.03428	21.3
57.07057	2.2
59.05000	5.4
62.03294	0.8
65.03934	3.3
67.05498	54.8
68.05822	0.8
68.99789	1.2
69.03418	6.6
69.07060	8.1
70.04066	5.0
70.95853	1.1
71.01344	6.1
71.04996	3.6
71.59813	1.1
72.93786	2.2
77.03920	1.1
79.05484	35.5
81.03409	42.5
81.07049	38.8
83.04977	9.7
83.08599	6.7
84.08151	1.4
85.02905	3.2
85.06541	1.8
91.05470	23.9
93.07040	22.9
95.04959	100.0
95.08603	14.7
97.02859	5.0
97.06512	5.7
97.10151	6.3
98.97610	0.9
99.04467	2.4
99.08091	3.2
103.03941	6.0
103.05476	1.4
105.07022	17.6
107.04947	17.5
107.08588	21.1
108.08104	1.0
109.02115	1.9
109.02866	37.8
109.06514	11.2
109.10142	35.7
110.03646	4.2
111.04432	6.1
111.08070	5.7
113.96567	0.9
115.05498	2.6
116.96323	1.2
117.06989	10.6
119.04939	3.3
119.08567	14.6
121.06492	8.2
121.10124	7.5
123.04417	73.0
123.08062	3.0
123.11725	1.9
124.05227	1.1
124.44080	0.9
125.02348	4.2
125.05962	2.2
125.09598	5.5
127.03904	9.3
128.06241	1.4
129.06964	9.0
130.07800	1.0
131.04913	3.2
131.08562	9.6
133.06464	4.1
133.10103	7.0
134.97377	1.2
135.04356	1.0
135.08040	15.5
135.11679	12.3
137.05957	5.9
137.09599	31.9
139.03885	2.6
143.08546	6.6
144.74916	0.9
145.02879	0.9
145.06441	3.0
145.10107	17.9
146.97383	1.1
147.04344	6.1
147.08018	7.5
147.11682	7.0
149.05930	2.0
149.09599	4.6
151.11194	1.1
153.09071	6.3
155.08534	2.5
155.10713	1.5
157.10146	1.6
161.09619	3.4
161.13235	3.3
163.07503	3.1
163.11160	28.7
164.98412	6.8
165.09102	20.7
165.12759	2.2
171.08005	1.6
171.10191	1.6
171.11646	9.9
173.09605	8.6
175.11174	2.3
176.98470	1.2
177.05527	2.1
181.08548	1.1
189.09148	1.2
189.11125	1.2
189.12741	13.8
191.10616	7.8
193.12151	1.3
199.11169	4.1
203.14285	1.1
206.99542	2.9
207.13780	19.9
209.11607	1.1
217.12213	10.6
219.07970	1.0
230.99480	1.8
235.13264	59.7
245.11674	1.7
251.21652	1.2
263.16354	1.3
281.11761	2.2
291.12445	1.8
309.07858	1.8
309.13297	34.0
309.16946	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
55.01861	9.5
55.05509	21.2
56.26282	1.3
56.96572	1.4
57.03435	22.3
57.07044	1.3
59.04998	5.4
59.12690	1.0
65.03941	4.3
67.05503	60.9
69.03416	5.8
69.07060	7.6
70.04076	4.8
70.06588	1.5
71.01347	8.0
71.04997	7.5
71.59742	1.5
72.08172	1.0
79.05492	37.3
79.05962	2.2
81.03413	54.3
81.07054	49.6
83.04978	12.1
83.08597	6.1
84.08136	2.9
85.02919	3.7
85.06535	2.4
86.09676	1.6
91.05474	27.4
93.07038	29.4
95.04964	100.0
95.08600	16.0
97.02881	5.1
97.06534	6.1
97.10143	6.3
99.04432	2.9
99.08100	3.2
103.03947	4.4
103.05472	2.6
105.07031	20.3
107.04958	20.5
107.05618	0.7
107.08586	23.0
109.02877	41.1
109.06516	14.2
109.10155	37.5
110.03677	4.1
111.04445	7.9
111.08073	3.5
115.05471	2.7
117.07013	14.5
119.04918	5.6
119.08571	16.3
121.06493	8.0
121.10118	9.0
123.04426	80.5
123.08079	3.8
123.11699	2.2
124.05315	1.1
125.02361	4.7
125.05999	3.0
125.09618	5.5
126.03178	1.0
127.03910	8.7
128.06210	2.3
129.07002	7.7
130.07819	2.9
131.04895	2.4
131.08559	10.6
133.06514	3.0
133.10124	8.0
135.04411	1.9
135.08035	15.7
135.11691	12.2
136.07532	1.4
137.05989	6.3
137.09618	34.8
139.03893	2.2
143.08546	5.7
145.06477	4.3
145.10112	18.4
147.04355	10.2
147.08047	6.9
147.11690	8.1
149.05980	2.7
149.09615	4.2
151.07607	1.6
153.09148	6.9
155.08559	2.3
155.10675	2.1
157.06450	2.1
157.10155	2.0
159.11665	1.7
161.09639	2.2
161.13245	2.9
163.07544	1.8
163.11174	27.4
164.98442	5.2
165.05501	1.4
165.09109	23.6
165.12869	2.2
171.07889	1.1
171.11691	10.7
173.09584	10.5
173.13322	1.8
175.07547	1.2
175.11108	1.5
177.05513	2.7
179.10648	1.1
181.08672	1.8
189.09348	1.2
189.11108	1.7
189.12723	14.8
191.10654	7.3
193.12221	1.7
199.11176	3.3
205.12305	1.6
207.13792	18.4
209.11594	1.3
217.12256	12.6
234.06796	2.0
235.13278	69.4
236.13744	1.9
249.09062	2.9
263.12762	2.1
263.16296	2.8
277.08606	2.2
277.19116	1.2
281.11780	2.2
291.12350	1.7
291.15775	1.6
291.19571	1.9
294.08713	1.2
309.07492	2.5
309.13312	39.3
309.16974	50.3
309.20517	1.9
310.13821	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	309.1331
Annotation	Monocerin
Peak:m/z	Relative Intensity
53.03936	8.7
55.01859	3.2
55.05503	12.7
57.03428	7.1
59.05979	1.3
59.77505	1.3
65.03924	3.1
67.01852	2.3
67.05497	55.5
68.05827	1.4
69.03416	5.8
69.07057	6.8
70.04075	3.3
70.06579	2.7
70.34046	5.4
71.04984	5.5
71.08628	3.8
79.05482	15.5
81.03410	50.5
81.07049	52.4
82.04201	2.9
83.04968	10.0
83.08636	1.8
84.08123	1.7
85.02891	2.1
85.06558	2.0
86.09718	1.9
91.05469	11.6
93.07035	9.7
95.04958	18.2
95.08587	14.2
97.02882	5.3
97.06529	4.6
98.98421	1.6
99.04448	3.7
99.08096	5.9
105.07010	4.7
107.04942	4.0
107.08575	17.8
109.02106	3.0
109.02868	67.5
109.06499	9.6
109.10144	86.8
110.03687	9.4
111.04438	12.2
115.05463	2.4
117.07012	3.8
119.08567	7.4
121.06499	2.7
121.10130	2.6
123.04411	5.8
124.07553	2.4
125.02331	10.4
126.03106	4.3
127.03905	20.7
129.06998	2.1
131.08560	3.9
133.06479	1.6
133.10103	2.9
135.08046	25.0
136.07552	2.1
137.05954	7.1
137.09602	100.0
138.09988	2.4
143.08537	1.6
145.10127	3.0
147.04384	2.9
147.08075	1.8
147.11673	1.6
149.09590	2.7
151.11162	2.0
153.12758	3.8
155.10689	4.4
159.11668	1.6
161.09581	1.4
163.07541	5.9
163.11171	2.6
165.05431	1.7
165.09102	66.1
171.11729	1.7
175.11195	1.8
181.08661	1.5
189.09097	1.5
189.12788	1.5
203.10831	1.6
204.51689	1.3
207.13777	1.5
217.12154	2.6
227.10356	1.3
233.11568	1.5
235.13274	6.4
238.05888	1.2
245.11803	3.6
263.12830	4.7
273.11322	3.0
277.08762	1.8
278.08948	1.5
281.11581	1.6
291.12430	4.8
309.13358	93.2
309.16687	7.0
310.13739	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	309.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01879	8.5
55.05509	22.1
57.03437	21.9
61.67516	1.4
65.03911	3.5
67.05500	45.3
68.05012	1.9
69.03415	3.2
69.07068	8.5
69.64940	12.6
70.04055	3.5
70.06564	2.6
71.01342	5.4
71.04980	5.2
71.73199	1.5
77.03883	1.6
79.05489	36.5
81.03408	30.3
81.07059	22.0
83.04977	12.3
83.08618	8.9
84.08113	3.6
85.02882	3.9
85.06523	2.8
86.09686	2.7
88.03961	1.8
91.05480	28.9
93.07036	25.5
95.04964	100.0
95.08620	10.8
97.02882	3.0
97.06526	6.6
97.10168	7.1
100.07547	1.9
100.11224	2.0
103.03966	4.5
105.07038	20.3
107.04936	16.4
107.08594	20.3
109.02886	15.3
109.06496	12.0
109.10144	7.0
111.04437	4.9
111.08070	3.6
115.05444	1.9
117.07013	12.3
119.04910	2.8
119.08580	16.8
121.06499	12.0
121.10120	8.5
123.04424	71.1
123.05318	3.7
123.08051	4.6
125.09628	5.0
126.03718	4.3
127.03905	2.1
128.06235	2.7
129.06984	10.6
130.07800	1.6
131.04945	4.1
131.08592	8.8
133.06493	4.4
133.10143	7.8
135.08044	6.8
135.11671	9.8
136.07597	2.6
137.04201	16.9
137.05971	4.9
137.09645	5.6
139.03879	2.7
141.07089	1.7
143.08525	4.7
143.94951	1.7
145.06476	2.4
145.10097	14.7
146.02719	4.1
147.04414	3.7
147.08031	8.6
147.11673	7.0
149.09634	4.5
153.09082	6.4
155.08514	2.7
157.10167	1.7
161.09616	2.4
161.13249	4.5
163.11198	27.8
164.98442	1.8
165.03677	1.7
165.07509	1.4
165.09102	3.0
165.12730	3.8
171.11661	12.3
172.04259	16.4
173.09608	9.0
179.08838	1.9
182.15424	8.5
189.12740	16.5
191.10632	6.5
193.12274	1.8
199.11201	3.6
207.13808	21.8
209.06306	2.6
217.12291	13.1
221.09935	2.0
235.10919	3.7
235.13284	70.6
236.13658	2.1
309.13455	3.7
309.16931	60.8
310.14572	14.2
310.17188	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	309.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.9
53.03942	7.5
55.01860	3.1
55.05508	12.3
56.96563	2.2
57.03434	5.9
57.07068	1.2
59.04989	1.3
65.03934	4.3
65.04221	0.8
67.01847	1.5
67.05498	56.8
68.05831	1.2
69.03423	9.1
69.07063	7.7
70.04074	3.2
70.06591	1.5
71.01377	1.2
71.04980	4.7
72.08154	1.5
72.39750	0.8
79.05485	15.7
81.03411	57.4
81.07049	56.9
82.04211	2.0
82.07390	0.9
83.04979	9.1
83.08623	3.4
83.34743	0.8
84.04495	1.1
84.08147	1.8
85.02894	1.7
85.06535	2.6
90.90963	0.7
91.04939	1.5
91.05468	12.7
93.07037	14.1
95.04958	27.9
95.05544	1.8
95.08600	17.9
97.02878	7.3
97.06524	4.0
97.10160	1.8
98.97587	1.6
99.04458	4.0
99.08060	3.8
101.06036	1.4
103.03958	1.6
105.06995	7.6
107.04968	4.9
107.08582	17.9
109.02869	66.2
109.06502	10.0
109.10146	84.4
110.03663	8.7
110.10481	1.0
111.04436	11.4
111.08115	2.5
113.06037	0.9
115.05462	1.9
117.07002	5.5
119.04985	2.9
119.08560	8.1
119.09209	0.7
120.08133	1.1
121.02878	1.4
121.06509	3.6
121.10143	5.4
123.04402	11.4
123.08063	1.8
123.11709	3.2
124.05199	2.5
125.02350	11.2
125.06041	3.4
125.09606	1.7
126.03149	2.8
127.03902	22.6
127.07539	1.2
129.07007	2.8
131.04929	1.0
131.08539	3.9
131.66899	0.7
133.06519	1.4
133.10103	3.8
135.08040	25.5
135.11671	3.9
136.05261	1.2
137.05988	8.0
137.09602	97.6
138.09973	1.1
141.06979	0.8
143.08565	3.2
145.02859	1.9
145.06517	0.8
145.10118	4.7
147.04384	10.5
147.08022	3.7
147.11707	2.8
149.05943	1.7
149.09659	3.0
153.09126	1.8
155.10660	5.0
157.10072	1.4
159.08054	0.9
159.11719	1.7
161.01233	0.8
161.09612	1.9
161.13301	1.4
163.07524	7.2
163.11139	5.7
164.98492	1.8
165.09097	70.5
166.09479	1.5
166.24998	0.8
167.10706	0.9
171.11676	3.1
173.09654	2.9
175.07515	1.6
175.11145	1.5
177.05482	2.8
177.09111	1.3
181.08647	3.5
183.10205	2.5
187.07648	1.1
189.07034	0.7
189.09143	1.7
189.12834	3.3
199.11272	1.7
201.11189	1.5
203.10637	0.9
206.07288	0.8
207.13896	3.0
215.03485	1.4
217.12282	3.4
222.38582	0.7
227.10655	1.0
235.07585	2.6
235.13268	11.3
245.11760	2.6
263.07059	1.3
263.12735	4.1
273.11374	1.2
277.08627	1.9
285.31628	0.8
291.06503	1.0
291.12335	4.4
294.08862	0.8
300.13431	0.8
309.07590	2.7
309.13425	100.0
309.16940	13.6
310.13806	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52433	1.0
53.03940	7.4
55.01861	4.7
55.05507	20.9
56.96550	4.1
57.03432	6.0
57.07067	4.9
59.04996	9.9
65.03937	4.2
67.01849	1.7
67.05500	63.9
68.05813	1.2
69.03413	10.3
69.07061	29.8
70.04061	5.5
70.06573	4.0
71.04978	6.2
71.08612	3.2
71.61019	2.2
72.08140	2.2
73.02940	1.3
79.05489	23.0
81.03412	54.7
81.07050	76.9
82.04173	1.4
82.59879	1.1
83.04977	11.2
83.08603	9.2
84.08163	1.5
85.02900	3.8
85.06524	4.3
86.09719	1.3
87.04411	1.2
91.04898	1.5
91.05472	24.9
93.07038	21.1
95.04963	13.0
95.08596	35.9
97.02897	10.8
97.06512	9.2
97.10150	12.0
98.97567	1.7
99.04436	3.9
99.08089	5.7
101.06001	1.3
105.07014	10.9
107.04955	5.6
107.08589	27.7
109.02872	66.3
109.06511	12.0
109.10149	89.5
110.03104	1.0
110.03680	12.5
110.10480	1.1
111.04425	14.7
111.08073	9.5
111.11708	2.9
113.05975	1.5
115.05453	2.7
116.98605	1.5
117.03383	2.3
117.07005	4.5
117.09078	1.3
119.04937	27.0
119.08567	11.0
121.02882	1.3
121.06517	4.5
121.10140	10.3
123.04425	2.3
123.08054	4.1
123.11700	13.9
124.05191	2.2
125.02328	11.1
125.05965	3.4
125.09617	4.8
126.03133	2.8
127.03917	24.4
127.07549	2.0
129.06981	2.5
131.08528	2.7
133.10139	6.2
135.04364	1.5
135.08037	24.5
135.11678	5.2
137.05998	7.6
137.09604	76.9
137.13234	3.3
139.11211	3.1
143.08566	2.2
143.10648	3.8
145.02808	3.4
145.10164	2.6
147.04399	100.0
147.08057	2.8
147.11679	3.3
148.04773	2.8
149.09659	3.7
149.13242	4.6
151.07513	1.7
151.11176	1.6
153.09145	1.8
153.12744	1.7
155.10692	5.8
159.08095	1.5
159.11694	1.9
161.01132	1.4
161.05965	1.5
161.09633	2.6
161.13255	2.3
163.07567	6.5
163.11162	2.2
163.14857	1.9
165.05450	2.1
165.09105	56.9
165.12729	1.8
166.09422	1.3
167.08463	1.2
169.10162	1.4
171.08031	1.5
171.11659	1.2
175.07581	1.9
175.11179	1.2
175.14807	1.9
177.00633	1.2
177.05469	8.2
177.09094	1.4
177.12766	2.1
177.16417	1.9
178.07924	1.5
179.10587	1.4
179.14262	1.3
181.08598	3.8
183.10178	2.5
187.11292	1.4
189.09140	1.4
189.12808	1.6
199.11102	1.7
201.11223	1.6
202.07727	1.4
206.07350	1.3
217.12222	1.5
234.06779	2.3
245.11685	3.2
249.09111	2.4
263.12827	4.6
273.18530	3.2
273.22183	1.3
273.25467	1.3
277.08530	3.4
281.11606	1.8
291.12326	4.9
291.19586	4.7
291.23279	2.7
291.26770	2.2
309.13339	97.2
309.20676	3.5
309.24155	2.2
309.27768	3.3
310.14056	3.4
314.03732	1.3
317.06406	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	309.133
Annotation	Monocerin
Peak:m/z	Relative Intensity
53.03941	7.8
55.01858	3.7
55.05509	12.9
56.96552	5.8
57.03415	5.9
57.07072	2.9
64.77393	1.4
65.03927	2.7
67.01856	2.1
67.05499	56.2
67.10098	1.2
67.54900	1.3
69.03428	7.4
69.07064	11.4
70.04069	12.3
70.89843	4.6
71.04979	4.3
79.05489	15.3
81.03413	51.5
81.07049	55.4
82.04154	1.7
83.04971	9.6
83.08603	3.7
85.06528	1.9
91.05473	10.3
93.07024	13.9
95.04971	10.7
95.08605	20.0
97.02878	7.8
97.06521	10.1
97.10175	1.9
99.04468	2.9
99.08091	2.6
105.07013	5.7
107.04927	3.0
107.08580	16.4
109.02109	2.4
109.02872	69.4
109.06516	7.9
109.10149	86.6
110.03659	10.9
110.10483	1.8
111.04432	13.7
111.08074	2.2
111.11765	1.3
117.07001	5.7
119.08570	9.3
121.06500	3.7
121.10122	5.4
123.04422	2.9
123.08030	1.5
123.11677	3.2
124.05170	1.4
125.01581	1.3
125.02357	9.9
125.05995	1.4
125.09660	1.8
126.03161	2.1
127.03909	21.0
129.07033	1.9
131.08524	2.3
133.10109	4.3
135.08051	22.9
135.11613	3.1
137.05997	8.6
137.09605	81.6
138.09976	2.5
139.11113	1.3
143.08524	2.1
145.02852	4.0
145.06392	1.4
145.10103	3.2
147.04449	3.1
147.08015	3.7
147.11679	2.4
149.09599	2.0
149.13245	1.5
155.10654	4.6
157.10143	2.4
159.11716	2.3
161.09531	1.6
161.13272	1.2
163.07510	6.4
165.05461	2.6
165.09102	52.2
166.09468	2.6
171.08221	1.6
175.11212	1.4
175.20898	1.3
177.05450	6.7
181.08586	4.0
183.10153	2.1
189.12726	2.0
199.11176	2.0
203.10661	2.2
217.12206	1.8
221.09549	1.5
231.13791	1.5
245.11856	3.3
249.09340	1.9
263.12799	6.0
265.08450	1.6
273.11151	2.6
277.08566	3.9
281.11429	1.4
291.12250	4.6
291.19528	2.8
309.13300	100.0
310.14008	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	309.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.0
55.01864	4.4
55.05506	20.2
56.96561	4.2
57.03429	5.8
57.07071	4.6
59.04990	7.4
60.61418	1.3
65.03935	4.3
67.01846	1.4
67.05500	59.8
69.00621	1.3
69.03431	12.2
69.07060	22.8
69.81336	3.4
69.81747	4.9
70.04071	16.1
70.06587	3.0
71.04979	6.6
72.08144	1.8
75.69242	1.2
79.05488	19.7
81.03413	52.6
81.07050	74.5
82.03770	1.3
82.04195	1.7
83.04964	11.7
83.08601	8.5
84.08143	2.4
85.02888	1.7
85.06543	7.3
85.25860	1.3
86.09700	4.3
87.04469	2.0
91.05474	11.4
93.07034	17.8
95.04963	10.8
95.08597	30.3
96.55766	1.4
97.02877	8.7
97.06507	8.7
97.10172	4.0
98.97535	1.9
99.04428	3.4
99.08099	5.6
100.11207	2.3
101.06007	1.5
105.07032	9.6
107.04943	6.1
107.08587	22.3
109.02875	54.7
109.06536	8.4
109.10146	90.6
110.03684	9.5
110.10497	2.0
111.04438	13.0
111.08105	6.2
111.11742	2.6
115.05460	2.0
117.07010	3.2
119.04964	4.0
119.08590	10.9
121.06482	3.1
121.10149	8.4
123.04425	3.1
123.08061	3.6
123.11719	9.8
124.05231	2.9
125.02351	10.0
125.05973	2.5
125.09631	4.0
125.30362	1.4
126.03127	2.9
127.03916	22.0
127.07534	1.4
129.06993	4.3
131.08560	3.6
133.10143	4.3
135.08051	21.1
135.11707	4.7
137.06007	7.2
137.09602	100.0
137.13185	2.9
138.09932	1.7
139.11134	1.9
143.08548	3.2
145.02890	1.6
145.10158	4.1
147.04378	9.4
147.08083	3.3
147.11641	2.8
149.13268	3.6
151.11234	2.7
153.09154	1.3
153.12727	2.3
155.03516	1.3
155.10675	4.0
157.10139	1.9
159.11716	1.8
160.88895	1.3
161.13243	2.1
163.07518	6.1
165.05338	1.7
165.09111	59.9
167.08678	1.4
169.10112	1.6
171.08086	1.4
171.11696	3.3
175.07571	1.6
175.11165	1.6
177.05496	2.3
180.05119	1.3
181.08601	3.6
182.15460	2.8
183.10170	2.5
189.07054	1.2
201.11327	1.9
223.07457	2.0
234.06630	2.2
245.11655	2.3
249.09094	1.8
263.12692	3.5
267.53394	5.1
273.18237	1.9
277.08594	2.3
287.05524	1.9
291.12393	4.6
291.19519	1.6
291.26913	3.4
309.13348	92.5
309.27859	3.9
310.06906	6.4
310.13596	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.5
56.96286	1.7
56.96560	29.6
57.03426	2.0
57.07062	0.8
61.01116	1.2
61.02925	1.1
69.03428	3.4
69.34078	8.0
70.04068	5.0
70.06573	2.0
71.04398	0.9
73.02909	1.8
74.97595	1.2
79.84196	0.9
81.03413	1.8
82.06572	0.8
84.04494	2.2
84.08144	4.2
84.96027	0.8
85.02907	7.0
87.82697	1.0
97.02873	1.9
98.97554	4.4
100.99145	3.2
102.05540	1.8
104.66727	0.8
110.97562	2.3
112.00973	0.9
112.99123	22.6
112.99921	1.1
116.98600	3.4
118.52583	2.0
119.00191	3.5
119.01905	2.3
121.01665	1.5
124.26844	0.8
126.05508	1.0
127.03896	2.2
128.07072	1.5
128.98570	4.6
130.05009	2.0
131.00163	71.8
132.95853	1.7
133.03464	2.0
134.99597	3.8
135.03172	0.9
137.01189	1.1
137.02797	1.1
144.98042	2.0
146.06093	0.9
146.97363	1.6
146.99643	8.5
148.02924	0.8
149.01213	100.0
150.96938	1.4
154.01714	2.0
158.99706	0.9
160.02852	1.9
160.98909	0.8
162.99153	5.3
163.02718	1.0
164.98497	1.9
165.00673	6.2
167.02284	16.3
167.52544	0.9
172.02786	3.1
175.02756	8.3
176.02177	1.0
177.00726	1.7
177.02341	1.0
180.08546	1.1
181.54150	1.8
183.01776	1.7
189.00729	1.9
190.98653	4.4
193.03841	32.9
194.53149	2.3
203.53687	1.6
204.03719	1.5
206.99527	1.1
207.01543	1.3
208.99678	3.3
209.01311	1.7
211.04886	31.6
216.05499	1.4
218.03323	1.0
219.05484	2.5
221.03233	0.9
222.04689	1.7
234.06425	1.4
235.04892	2.6
237.06464	1.8
247.04883	10.9
253.06082	1.6
265.05884	4.8
266.03848	1.3
273.02908	2.0
277.00037	3.3
291.03857	42.6
309.04953	16.1
309.16010	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96533	8.4
58.50303	2.1
69.97775	13.0
72.56205	2.1
98.22364	2.2
110.97536	2.2
112.40186	2.2
112.99132	15.7
118.60767	2.2
119.01941	2.6
131.00172	31.3
133.03433	5.0
134.38751	2.2
149.01207	19.3
175.02667	2.5
193.03770	7.0
195.07253	2.4
202.49158	2.1
204.88890	2.3
211.04808	8.3
219.07124	2.7
228.58989	2.8
233.12036	2.4
249.08112	3.5
291.03748	7.0
309.03918	100.0
310.03732	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	308.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.3
56.96555	2.8
57.03427	2.5
58.99585	4.8
59.70671	0.6
60.35337	0.6
61.01149	28.1
67.05497	3.3
69.03417	1.3
69.07069	2.7
69.46523	4.9
69.46933	1.5
70.04079	19.4
70.06581	1.4
71.04970	0.7
74.99037	2.5
75.02692	3.9
75.05156	0.7
76.02222	4.0
77.00629	2.2
78.29675	0.6
79.05478	2.3
81.03403	1.0
81.07043	4.0
82.07381	1.3
83.08640	0.7
84.04494	1.8
85.01128	2.0
85.02906	9.2
87.02689	42.8
89.04224	2.0
91.02176	1.2
91.05457	1.4
93.07031	2.1
95.08589	2.9
96.08910	1.1
97.02904	1.2
97.06538	1.9
98.97559	0.9
101.05996	1.3
105.00059	3.5
105.03722	5.7
105.07026	1.3
107.08581	1.4
107.40076	0.6
109.10155	2.3
115.02123	1.0
116.01664	0.8
117.07013	0.7
118.06533	4.6
119.08595	1.6
121.06540	0.8
121.10169	0.8
122.10503	1.3
123.08050	0.7
125.01566	1.3
130.05048	0.7
133.03185	100.0
133.08838	1.1
134.01720	0.7
134.99649	0.8
137.09650	0.9
146.09590	0.8
147.04431	1.3
149.09557	0.8
159.08060	0.9
161.01204	0.8
162.02217	1.3
176.14337	67.5
177.14766	1.1
179.04872	1.8
231.49240	0.8
245.05698	0.8
262.18365	0.8
285.10022	1.1
308.16806	90.5
309.17010	1.9
322.99460	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	308.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.9
56.05027	2.4
56.96543	1.9
60.04521	5.7
63.71494	1.0
67.05476	2.5
69.03418	3.3
69.07053	2.0
69.54180	9.7
70.04074	39.5
70.06586	10.5
72.08139	8.3
74.06049	1.4
76.02206	3.9
79.05479	1.7
81.03400	2.9
81.07051	1.3
84.04481	3.7
84.08141	11.6
85.02910	5.8
86.09704	9.2
88.03984	1.3
90.03413	1.8
91.05468	2.4
95.04996	2.4
97.02849	1.4
102.05531	2.1
103.05470	3.4
105.07024	1.4
107.04951	5.9
110.07133	2.4
115.08684	53.7
116.07093	2.2
119.04950	2.4
120.08098	100.0
121.02866	1.3
121.08463	1.7
125.01553	3.6
125.32399	1.2
126.01098	1.4
127.03883	1.4
128.00766	23.8
129.10210	5.8
131.04860	1.8
136.07558	3.4
139.03835	1.1
143.08154	30.1
144.02098	1.4
146.01799	20.6
146.06049	5.6
147.04414	7.1
147.06328	4.2
149.05966	2.4
150.96878	1.4
162.02286	1.2
163.03876	1.3
166.08632	63.6
178.98354	1.2
179.04906	1.9
179.47339	1.2
191.11789	1.7
201.00648	1.1
202.98604	1.8
237.12364	11.8
259.14407	1.2
262.12515	1.3
263.07001	2.9
290.12421	1.3
290.15741	1.3
291.06580	1.8
308.15335	12.2
308.18546	1.8
309.00989	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	308.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05494	0.9
56.05031	7.7
56.96287	0.8
56.96558	14.8
57.08512	0.6
58.06605	3.2
58.99563	0.5
60.04507	1.8
61.01148	3.1
68.05030	1.0
69.03410	1.4
70.04073	20.4
70.06589	9.7
71.04955	0.6
71.06944	1.0
71.07357	2.4
71.59123	1.1
72.08150	4.3
73.02914	1.1
74.06071	4.8
74.97584	0.6
75.48122	0.6
76.02202	2.4
81.03399	1.0
81.04557	0.6
82.06566	1.3
83.04985	0.7
83.06075	0.9
84.04509	2.8
84.08131	7.7
85.02887	2.6
86.06047	2.5
86.09694	1.6
86.56188	0.5
87.05570	1.9
87.10040	0.5
88.03984	0.6
88.08942	0.5
90.94799	1.0
91.05469	1.9
93.07027	1.1
96.04470	1.5
97.02889	1.4
98.06055	0.9
98.39920	0.5
98.97571	15.6
98.98186	1.1
100.03998	0.6
102.05536	11.0
104.05329	6.2
107.04935	3.2
110.07137	1.8
112.08720	0.7
112.11243	2.8
113.07120	2.5
116.07091	1.1
116.98607	22.4
119.04904	2.1
120.06553	1.2
121.06498	5.9
122.07127	1.3
125.01530	1.5
127.03931	0.8
128.07065	0.7
129.10242	1.8
129.13866	1.3
130.04979	1.4
130.06485	0.9
131.00160	2.2
131.08163	2.3
132.95830	1.2
133.03131	1.1
134.99654	31.6
136.06175	0.5
143.08125	2.4
144.04852	0.7
145.97696	1.0
146.05975	3.6
146.97362	1.1
146.99651	1.2
147.04420	1.2
147.92697	0.6
148.07657	0.6
149.01202	2.0
149.08357	15.2
150.05806	3.6
150.96878	1.2
153.00684	7.7
158.01248	1.4
158.05986	1.2
159.07620	3.9
160.98900	0.7
162.02180	1.4
162.09138	1.3
163.00606	1.2
164.10701	100.0
164.98465	1.3
165.00740	1.2
165.08662	1.0
165.11015	1.8
168.01746	0.9
169.01794	1.1
175.08717	1.5
177.00761	0.7
177.02325	1.3
177.08771	1.3
179.04808	1.1
181.01733	5.8
187.02750	2.9
189.00713	0.7
189.06830	1.0
190.98557	0.8
191.01028	1.0
191.08504	1.4
192.10123	1.5
193.01770	3.3
199.02802	1.8
208.01305	0.6
209.01115	4.4
211.02765	8.3
211.10715	0.5
213.04437	0.6
219.03503	0.8
220.06453	3.0
222.07997	2.0
224.06061	0.7
234.04480	1.7
235.02769	8.8
235.04919	0.7
237.04565	1.2
237.14391	0.7
238.07463	8.2
240.09050	3.2
248.06241	1.1
252.05438	2.1
253.03926	8.3
262.07437	4.9
264.09146	1.9
266.06973	6.9
280.08582	2.0
281.03360	1.0
284.08029	14.5
289.08533	0.6
290.07068	0.7
290.11667	1.9
308.08047	32.3
308.15585	5.6
308.21729	2.0
309.05292	0.8
326.09015	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	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03927	6.0
55.01849	8.2
55.05511	36.7
56.96551	7.4
57.03427	11.1
57.07056	2.7
59.04979	3.6
62.54885	2.1
67.05174	2.8
67.05500	44.7
69.03423	3.9
69.07064	22.5
70.04071	21.1
71.04992	20.6
71.60363	2.3
71.60729	1.9
73.06568	2.1
76.02197	2.7
79.05489	48.6
81.03417	11.1
81.07053	43.4
83.04957	7.2
83.08617	15.8
85.06516	6.8
90.85115	1.8
91.05475	56.6
92.05781	2.1
93.07040	47.1
94.36881	1.7
95.04964	19.5
95.08598	28.0
97.06526	13.0
97.10166	15.9
103.05436	3.9
103.18478	1.8
104.28065	1.7
105.07025	57.7
107.04955	21.6
107.08583	33.7
109.06516	23.4
109.10141	19.5
111.08070	4.7
113.05952	2.9
115.05403	3.1
116.98550	2.2
117.06995	16.3
119.08573	39.7
121.02892	9.0
121.06507	29.5
121.10126	19.0
123.08074	14.5
123.11699	5.1
125.09653	12.8
128.06184	1.7
129.06990	5.9
131.08556	19.0
133.06497	3.3
133.10130	31.3
135.08047	15.7
135.11670	6.9
137.09581	14.2
141.06927	2.5
143.08542	4.3
145.10100	17.8
147.08028	8.6
147.11668	26.6
149.05963	1.9
149.09579	8.2
149.13121	2.2
151.11172	15.3
155.08551	4.3
157.10059	6.4
159.08041	26.8
159.11656	9.9
161.09564	2.7
161.13184	5.7
163.07526	11.3
163.11168	9.4
165.09047	4.6
165.12697	10.0
169.10094	5.2
171.11705	5.7
173.09602	4.2
173.11790	2.6
173.13222	5.9
173.28793	2.0
175.11140	3.5
177.09024	2.5
177.12668	5.1
179.14287	3.6
183.11667	3.5
185.09659	2.3
185.13298	2.3
187.07991	1.9
189.11186	2.8
189.12697	2.2
191.14320	2.3
193.12289	2.3
197.13283	6.0
201.12743	2.9
213.16350	2.3
215.14354	2.5
215.17903	3.2
219.13721	4.4
229.19579	4.4
233.15364	6.7
235.13245	4.1
237.14780	2.9
239.17932	8.8
247.20560	5.9
249.18381	2.7
253.15781	6.8
257.19019	9.5
261.18427	3.4
267.09052	5.1
269.12509	3.0
271.16840	5.4
275.20044	55.8
285.10126	8.9
289.18021	29.4
289.21313	3.9
307.09573	3.3
307.19019	14.5
307.22620	100.0
308.15179	4.3
308.23013	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.01861	12.7
55.05505	27.8
56.18970	2.2
56.21970	2.8
57.03426	10.2
57.07067	3.8
66.61774	2.8
67.05168	3.2
67.05502	44.0
69.03401	2.4
69.07057	21.4
70.04078	27.3
70.20456	10.2
71.04993	4.3
75.32140	2.4
79.05491	52.4
81.03407	2.9
81.07053	67.7
83.04976	7.6
83.08630	14.8
85.06548	6.8
86.93883	2.7
91.05474	34.4
92.92419	2.1
93.07041	38.4
95.04959	18.2
95.08598	37.1
96.70339	2.4
97.06524	20.5
97.10145	12.4
99.08111	3.1
105.07023	44.4
107.04974	11.9
107.08585	43.3
109.06522	26.3
109.10134	16.4
111.08061	4.8
117.06996	10.9
119.08574	30.8
121.06516	3.9
121.10114	16.9
123.08059	10.0
123.11706	6.1
125.09615	14.1
129.07030	4.9
131.08560	21.8
133.10121	26.9
135.08064	10.4
135.10815	2.8
135.11674	14.2
135.63802	2.3
137.09602	8.7
140.18443	2.6
143.08519	3.1
145.10170	15.2
147.11688	19.3
149.09599	17.3
149.13283	3.6
151.11180	8.6
153.09132	4.2
157.10117	4.2
159.11707	13.4
161.09676	3.4
161.13231	6.8
162.98921	5.2
163.11186	8.6
165.12776	13.2
169.10097	2.9
171.11697	3.5
173.13231	7.1
175.11125	3.4
177.12726	2.6
177.16298	2.7
185.13295	4.5
187.11290	2.9
187.14842	4.1
203.12752	7.1
203.14429	3.3
213.01566	2.5
219.17421	13.3
229.19458	6.5
235.16948	2.9
239.17938	10.9
247.20602	8.6
251.16534	3.1
257.19012	10.2
275.20050	100.0
276.20361	3.3
289.21677	7.0
307.22818	26.7
307.28299	9.8
308.15363	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03932	3.1
55.01868	6.4
55.05505	16.6
56.76920	1.7
57.03455	2.1
57.07067	4.7
65.03940	2.2
67.05499	33.4
69.07062	27.4
69.67033	14.6
70.04073	25.1
71.04983	3.0
79.05489	27.6
81.03421	4.2
81.07051	41.3
83.04980	7.6
83.08608	8.8
85.06513	3.9
91.05475	27.0
93.07035	33.3
95.04945	11.5
95.08593	28.5
97.06531	4.9
97.10175	3.2
98.20740	3.1
98.98498	1.8
99.24564	1.9
105.07023	30.0
107.04964	6.3
107.08595	21.5
109.06517	10.9
109.10148	9.2
111.08057	4.0
117.07034	8.8
119.08578	18.0
121.06488	11.3
121.10152	12.2
123.08040	7.2
123.11666	2.6
125.09621	4.9
126.69962	1.8
129.07016	3.5
131.08560	15.9
133.10103	19.0
135.08049	7.4
135.11716	5.2
137.09598	5.0
143.08522	3.5
145.06520	2.7
145.10152	14.5
147.08047	4.4
147.11655	15.5
149.09599	9.2
149.13242	3.5
151.11183	6.6
155.08505	3.4
157.10063	3.1
159.11673	8.7
161.09546	5.1
162.57735	2.1
163.11160	7.4
169.10175	3.8
171.11639	2.9
173.09726	3.2
173.13239	6.7
175.11174	2.2
177.12674	3.6
183.11598	2.4
185.13263	2.5
191.14323	5.7
201.12834	4.0
207.13786	2.9
215.17908	2.4
219.13742	5.3
229.19460	4.4
239.18083	3.8
247.20546	4.4
257.18997	18.3
261.02991	3.5
275.20035	100.0
276.20435	2.6
289.21689	4.0
307.19504	3.4
307.22757	49.4
308.15146	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	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09912	1.4
53.03925	6.3
55.01665	1.6
55.01873	18.3
55.05261	2.5
55.05507	37.1
56.96559	1.7
57.03423	6.8
57.07041	2.4
59.04996	2.9
63.97293	1.6
65.03926	2.8
67.05501	44.2
69.03413	4.7
69.07066	18.6
69.88615	9.4
70.04074	38.2
71.04969	4.3
79.05486	61.0
80.05814	1.6
81.03405	3.9
81.06568	2.9
81.07050	45.5
83.04985	10.9
83.08617	17.8
85.06537	3.6
91.05471	43.0
93.06463	3.1
93.07037	43.2
95.04974	12.9
95.08603	21.6
97.06532	18.8
97.10169	24.6
103.82729	1.6
105.07022	43.4
107.04955	16.3
107.08588	100.0
109.06522	12.9
109.10144	15.3
111.08067	4.4
117.07001	10.1
119.08573	21.9
121.06498	5.2
121.10132	15.1
123.08031	6.1
123.11732	3.5
125.01540	3.3
125.09620	31.5
129.06966	3.6
130.07785	1.5
131.08569	15.2
133.10139	22.3
135.08025	11.5
135.11678	8.2
137.05994	2.8
137.09624	3.7
143.08551	4.8
145.09006	2.7
145.10104	21.3
147.11668	19.4
149.09613	27.6
149.13263	3.2
151.03030	2.4
151.11203	3.7
153.09081	5.5
155.08504	2.4
157.10080	4.4
157.12187	3.5
159.11682	13.6
161.09581	3.3
161.13235	5.7
163.11162	9.6
165.12688	4.9
169.10114	2.7
171.10185	2.1
171.11674	5.1
173.13217	5.3
175.11150	2.3
177.12775	3.2
182.39201	1.4
183.11714	3.3
185.13194	3.2
187.11197	1.8
187.14813	1.7
197.13275	2.5
203.12782	18.5
203.14400	2.7
215.17961	1.9
219.17378	7.8
229.19484	3.3
239.17920	7.3
247.20573	6.0
257.19040	12.3
261.03033	1.9
275.20038	79.8
276.20267	2.3
289.18304	1.8
289.21594	9.8
307.22858	12.6
307.28131	13.0
308.15280	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.3
55.01879	23.3
55.05506	38.2
56.96554	7.2
57.03432	7.5
57.07069	6.2
58.46125	3.6
59.05000	4.1
65.03960	5.6
67.05500	65.0
67.95945	3.5
69.03414	5.3
69.07053	25.8
69.37081	8.1
69.37485	31.6
70.04074	41.5
71.04984	9.9
79.05490	62.6
81.03411	14.3
81.07055	68.8
83.04971	11.4
83.08612	16.1
91.05466	44.2
93.07031	53.4
95.04960	27.8
95.08601	42.9
97.06532	31.0
97.10149	16.1
98.21452	5.7
103.05468	3.5
105.07019	64.4
107.04978	17.0
107.08585	80.8
109.06492	22.5
109.10155	14.3
111.08099	4.6
117.07018	12.5
119.08579	34.3
121.02837	6.5
121.06498	10.9
121.10136	25.0
123.08050	8.0
123.11668	5.7
125.09604	22.1
128.06256	4.1
129.06989	10.4
131.08568	24.0
133.06496	4.0
133.10143	27.8
134.02916	3.4
135.08060	19.7
135.11652	8.5
137.05980	15.4
137.09613	7.7
138.06277	15.3
143.08569	14.0
145.10095	26.7
147.08029	6.1
147.11699	21.9
149.09610	22.4
151.11172	10.3
153.08945	4.2
155.08551	5.6
157.10095	10.0
159.11725	19.6
161.09593	8.5
161.13246	6.3
163.11205	10.2
165.09102	5.7
165.12756	8.7
167.08575	4.3
169.10159	7.9
171.11665	10.3
173.13264	9.6
177.12849	4.7
179.08414	5.7
181.10115	7.9
183.11690	11.1
185.13269	9.3
187.11229	5.8
187.14845	4.7
193.10152	9.5
195.11653	8.6
197.13226	3.6
199.62885	3.9
201.12718	5.1
203.12695	10.2
206.11053	4.0
207.11670	9.5
209.13162	5.7
219.11748	5.1
219.17397	6.0
221.13214	5.5
223.14828	10.1
229.19510	6.1
231.11624	3.6
233.13199	4.6
237.12738	4.2
239.17776	8.3
247.20537	11.6
248.15060	4.0
249.16385	10.6
251.14313	7.2
257.18951	14.8
275.20047	100.0
279.40952	3.2
289.18579	4.6
289.21927	4.5
307.15930	4.5
307.20395	30.2
307.22916	20.2
308.15308	10.4
312.48080	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	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31181	2.9
53.03928	5.9
55.01870	20.6
55.05507	42.6
57.03411	7.4
57.07061	5.6
59.04982	3.6
59.82490	3.0
65.03952	2.9
67.05161	5.7
67.05502	61.7
67.05851	2.4
69.03415	4.2
69.07066	26.8
70.04080	16.6
71.04984	6.2
71.05756	9.1
79.05487	68.5
81.03420	8.5
81.05997	3.0
81.07053	66.0
83.04958	9.3
83.08620	22.0
84.93846	2.8
85.06521	3.7
91.05472	41.1
93.07029	46.5
93.07555	5.0
95.04952	20.7
95.08606	40.8
96.94389	2.8
97.06502	19.9
97.10138	20.0
99.08084	5.4
105.07027	42.2
107.04964	17.3
107.08583	72.1
109.06511	36.4
109.10143	18.5
111.04433	6.2
111.08080	10.6
117.07020	12.7
119.08565	34.1
121.06504	9.0
121.10117	20.1
123.08056	12.6
123.11712	7.9
125.09623	24.1
129.06993	4.5
131.08524	20.6
133.10110	32.9
135.08026	13.9
135.11710	9.5
137.05913	3.4
137.09602	9.4
139.11101	3.3
143.08505	3.9
145.10106	24.4
147.11658	14.4
149.09604	30.6
149.13292	4.6
151.11191	13.0
153.09044	4.0
155.08614	4.5
157.10083	5.7
159.10426	2.9
159.11688	11.7
161.09586	4.2
161.13289	8.2
163.11217	14.2
165.12772	5.5
171.11765	4.3
173.13249	10.8
187.14868	4.6
197.13309	6.5
203.11096	3.4
203.12839	13.3
229.19482	8.1
239.17996	9.3
247.20622	11.4
247.79808	3.1
251.16479	7.1
257.19049	13.8
261.02884	3.1
275.20038	100.0
289.21637	12.2
307.22656	49.0
307.28140	3.9
308.15082	7.3
328.12347	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	307.2054
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03935	3.2
55.01875	3.8
55.05501	10.3
56.96569	2.4
57.03436	4.6
57.07074	2.3
65.03948	2.8
67.05502	16.8
69.03424	2.3
69.07056	8.2
70.04071	26.2
70.47664	1.9
70.48013	5.9
71.04982	3.1
71.16866	1.7
74.04971	1.5
79.05482	20.3
81.03412	2.0
81.07052	24.8
83.04978	4.4
83.08604	3.3
91.05471	20.7
93.07041	19.2
95.04958	24.1
95.08599	11.1
97.06517	13.1
97.10195	2.2
103.05447	3.2
105.07020	41.1
107.04913	3.9
107.08594	12.0
109.06533	8.6
109.10154	5.5
115.05456	4.4
117.07017	8.8
118.87474	1.7
119.08566	33.3
121.02943	2.4
121.06487	5.4
121.10139	7.5
123.08067	4.9
128.06224	14.5
129.07011	10.4
130.07780	5.5
131.08556	17.1
133.06462	2.0
133.10123	46.1
135.08070	3.9
135.11708	2.3
141.07014	7.8
142.07767	14.5
143.08549	33.0
143.86725	2.0
144.09364	5.8
145.06483	3.5
145.10106	25.3
147.08051	7.7
147.11699	8.9
148.09435	1.7
149.09647	3.4
151.07555	2.1
154.07776	4.9
155.08572	8.9
156.09319	8.5
157.10120	25.2
158.07387	1.8
158.10921	5.1
159.08058	4.5
159.11665	16.9
161.09583	9.0
165.06958	3.7
166.07768	4.0
167.08562	12.1
168.09378	4.6
169.10095	21.2
170.10956	4.8
171.11713	15.5
173.09610	2.7
173.13200	15.5
175.11221	2.2
179.08549	7.2
180.09229	4.2
181.10065	15.5
182.10896	16.8
183.11650	10.3
184.12495	2.9
185.09464	2.4
185.13258	5.2
187.11185	5.6
187.14822	2.5
191.08571	1.9
192.09373	7.3
193.10130	15.8
193.11961	2.2
194.10924	9.6
195.11656	12.3
196.12473	6.2
197.09557	2.2
197.13205	19.6
198.14008	3.5
199.11263	1.8
199.14819	6.2
201.12671	2.7
203.08617	2.6
204.09286	2.1
205.03983	1.8
205.10152	5.8
206.10890	11.6
207.11679	13.0
208.12445	7.5
209.13263	13.6
211.14801	12.6
217.10178	5.7
218.10931	4.2
219.11674	8.9
220.12483	7.7
221.13223	22.4
222.10553	2.3
222.13979	8.3
223.14850	13.5
225.16492	2.0
229.10062	2.0
230.10927	2.4
231.11761	3.6
232.12526	4.5
233.13269	14.6
233.15303	2.8
234.14075	6.0
235.14844	6.4
236.12097	2.3
236.15520	2.3
237.16383	8.4
238.99876	2.0
244.12410	4.8
245.13333	6.1
246.14023	3.8
247.14813	11.2
248.15576	10.3
249.16516	8.6
250.17313	2.4
251.14270	7.0
251.18053	4.9
259.14853	9.8
261.16333	3.3
263.17929	22.6
265.15793	3.1
265.19519	2.3
274.17154	10.8
279.21152	5.7
289.19604	19.3
307.20569	100.0
308.15247	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	307.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04707	0.5
56.05033	3.4
58.06589	4.6
66.11298	0.5
66.83188	0.5
69.02006	0.5
69.03425	0.6
69.07067	0.8
70.04070	1.4
70.06581	3.6
70.58929	1.3
70.59282	0.8
72.08149	0.7
72.93774	1.0
74.02415	0.7
81.07042	0.6
84.04501	24.4
84.08137	100.0
85.02895	1.5
85.08481	0.6
85.83601	0.6
86.06060	5.7
86.09701	5.5
88.03996	0.9
89.39272	0.5
91.05495	0.5
96.04516	0.6
97.02876	0.9
99.09193	0.8
100.16539	0.5
113.44518	0.6
130.08656	1.4
132.95879	0.9
141.13850	6.6
146.05998	29.9
158.97472	0.9
163.00549	1.1
168.95807	0.7
169.13358	8.3
174.05414	0.5
174.96826	0.8
198.11244	1.4
200.98389	0.7
215.13893	37.8
216.14398	0.7
217.01651	1.0
234.99013	2.1
243.17027	49.8
244.17369	0.7
245.24168	0.5
262.11090	3.8
264.00967	0.5
307.04684	0.8
307.16840	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	307.1285
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01874	1.8
56.49140	0.4
57.06960	0.3
65.03927	0.4
67.05496	0.5
69.03423	0.4
69.07054	1.0
69.28166	0.7
69.28587	3.1
70.12698	0.3
81.07062	0.6
84.08085	0.5
86.09696	0.4
86.94794	0.4
89.56097	0.3
93.07034	0.6
94.06579	0.7
96.04490	0.7
97.02879	0.4
98.06037	0.6
106.06458	0.4
107.08558	1.4
108.04455	1.2
108.08039	0.3
109.02866	0.6
110.05986	0.4
120.04452	0.6
121.06543	0.3
122.06010	2.3
122.06744	0.4
123.04387	0.4
123.06863	0.3
124.07547	1.0
131.08548	0.6
132.08054	0.5
135.08089	1.6
136.07552	1.1
136.22749	0.3
138.05453	0.5
140.07071	2.4
146.05971	0.5
146.09698	0.5
148.03854	0.5
148.07600	0.5
150.05446	0.7
150.09094	0.4
156.08058	0.5
158.09645	0.6
159.09134	0.5
159.62259	0.3
160.06374	0.3
160.07553	1.8
162.09158	0.7
163.08673	1.3
164.07013	0.5
166.05019	0.4
168.06535	2.2
170.05902	0.4
170.09586	0.5
172.07620	0.5
173.07016	0.6
173.10759	0.4
174.09090	2.5
176.07060	0.4
176.10684	0.4
177.06584	0.4
177.10237	1.6
178.08617	15.4
182.08163	0.6
183.09230	0.3
184.07539	2.3
186.07773	0.5
187.08643	1.4
188.07045	3.7
188.08678	0.4
189.10297	0.4
191.08197	1.0
196.09654	0.7
198.09135	2.2
200.07132	0.4
200.10730	0.5
201.06532	0.6
201.10286	2.6
202.08604	6.4
204.10277	0.4
205.09717	4.8
206.08092	2.9
211.08481	0.6
212.07086	1.0
215.08229	0.5
215.11653	0.5
216.10217	3.2
217.09715	0.4
219.07657	1.1
219.11292	5.0
220.09729	2.1
225.10164	0.6
226.08640	2.6
229.09712	5.7
230.08078	3.4
234.09933	0.4
243.11259	2.6
244.09694	4.3
247.10774	12.5
248.09117	0.8
253.09714	0.4
254.07953	0.9
261.12335	1.2
262.10718	1.6
265.11804	16.0
266.12076	0.4
271.10754	1.9
272.09189	1.8
289.11783	16.1
290.09897	0.5
307.12845	100.0
308.13016	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91959	0.6
53.45135	0.7
54.03462	1.3
55.01865	1.1
55.05502	1.3
55.93506	2.1
56.05020	1.8
56.94284	0.9
56.96562	3.7
57.03430	1.2
60.04517	3.4
61.02908	0.8
65.03901	0.9
69.03411	2.3
70.04076	1.9
70.06586	8.3
70.68571	1.5
70.68902	1.5
70.95852	3.6
71.92984	1.1
72.08136	1.7
72.55652	0.7
72.93776	8.5
73.02921	1.4
76.02238	1.2
80.04971	1.0
81.03413	1.1
81.04519	10.7
84.04490	2.9
84.08133	6.0
85.02886	4.0
86.06089	1.0
86.09707	5.9
87.05596	1.3
87.10037	2.7
88.96885	2.1
90.94337	0.9
90.94824	7.7
95.08595	1.0
97.02890	3.4
98.97574	2.4
102.05402	0.7
104.05307	1.3
108.95847	3.6
110.07134	1.5
113.02966	2.3
116.98595	2.1
119.01911	2.3
119.04899	0.8
122.07138	100.0
126.03721	2.6
127.03951	1.4
128.96352	1.5
129.10239	1.6
130.04938	1.2
131.08090	0.8
132.95822	6.0
133.03444	4.4
134.97400	1.0
134.99641	1.6
135.17525	0.8
136.06184	3.9
136.07600	0.9
136.95319	1.3
140.07047	0.8
140.96344	0.8
141.52045	0.8
143.00116	0.8
143.08159	1.3
144.04768	56.3
144.95807	5.4
144.99448	2.9
146.06021	3.9
146.97385	2.3
147.01006	0.9
147.04399	1.5
148.98979	1.2
149.01152	1.3
150.96872	6.3
151.04558	1.5
155.04604	0.9
158.96138	1.4
158.97386	12.9
158.99541	0.8
159.05034	2.7
162.96878	7.4
162.99106	1.4
163.00446	6.8
164.08180	96.4
165.08482	1.4
168.95845	5.1
173.12856	2.4
174.13232	4.7
174.96901	3.4
176.98453	9.2
177.00711	2.1
177.06047	1.5
180.06358	1.8
181.01714	1.0
186.96892	5.9
187.00510	1.4
189.00761	1.5
190.99965	1.6
198.11177	0.8
198.96840	1.4
199.00475	1.7
202.12581	0.9
204.97893	1.0
205.01575	6.1
207.01711	1.1
216.97960	7.5
217.01537	8.5
219.01691	1.1
219.07140	2.9
231.03334	1.2
231.07112	4.1
234.96593	1.9
234.98979	36.9
235.99052	0.9
237.02730	1.4
241.01605	1.9
247.02727	1.7
249.04065	1.0
253.00066	8.0
258.00592	1.9
263.10040	0.9
275.06061	2.0
289.03656	5.3
305.03217	2.7
307.04675	17.2
307.08038	1.3
307.12195	6.3
308.05063	1.5
308.12210	5.8
309.08591	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	307.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
56.94302	0.3
56.96561	0.6
57.03434	0.5
69.03416	0.5
70.02243	0.6
70.02659	0.7
70.04069	1.4
70.06585	3.1
70.95856	0.3
71.01348	1.1
71.06918	0.7
72.93787	1.1
73.02917	0.4
79.05504	0.2
81.04542	0.9
81.07028	0.3
83.04980	0.3
84.04487	0.8
84.08148	1.2
85.02897	0.6
86.09709	0.2
89.96442	0.2
90.94831	1.0
94.04066	0.4
97.02856	0.6
100.03931	0.3
107.12952	0.3
108.91357	0.3
108.95813	0.2
109.05089	0.5
110.07128	0.3
119.03564	0.8
122.07144	9.9
130.05038	0.3
132.95799	1.2
133.05016	0.4
135.05450	0.3
135.06700	0.6
136.06175	100.0
137.04593	1.0
137.06529	0.3
138.07669	0.3
144.04781	5.1
144.95844	0.5
144.99426	0.3
146.97408	0.3
146.99641	0.3
148.06129	1.4
150.07751	1.0
150.96886	1.1
151.06111	0.3
158.97406	1.0
160.06180	3.9
162.96832	0.9
163.00554	0.7
164.05736	0.7
164.08189	9.0
168.95796	0.5
174.96928	0.3
175.05797	0.4
175.07271	7.7
176.98396	0.9
177.00668	0.3
177.08830	2.5
186.96904	0.6
199.00516	0.3
202.07187	0.6
203.00314	0.3
205.01576	0.7
215.13806	0.4
216.97916	0.7
217.01587	0.9
217.08237	0.4
219.09883	0.3
234.68019	0.3
234.98924	2.8
243.17191	0.3
247.02502	0.4
252.99998	0.3
266.09085	0.4
269.65189	0.3
290.08792	0.4
307.04822	2.2
307.11505	10.3
308.15149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75939	1.2
53.03929	6.8
55.01855	4.0
55.05504	3.5
56.05038	1.6
56.96557	2.6
57.03424	4.9
61.02904	3.7
67.05482	1.9
69.03425	42.4
69.07048	2.7
69.55215	6.1
69.55647	4.1
70.04070	2.7
70.06587	19.1
70.95856	1.9
71.04978	8.9
72.08150	8.4
72.93778	4.6
73.02892	4.1
74.06080	2.5
76.02223	2.3
79.05479	1.9
81.03407	32.9
81.07037	2.8
83.04975	1.8
84.04489	4.7
84.08134	10.1
85.02901	84.0
86.09690	9.8
87.04463	1.7
90.94831	3.7
91.05492	3.3
93.07023	2.1
95.04963	2.5
97.02886	34.8
97.35136	1.2
98.98470	1.8
99.04447	44.3
103.03935	82.0
103.53141	1.3
107.08588	4.4
108.08910	3.1
108.95866	2.5
109.02869	25.4
109.06487	1.7
110.07153	3.2
112.07561	1.6
115.03954	1.5
116.07093	2.1
119.08527	1.8
120.08115	3.0
121.10136	1.7
122.06004	1.3
127.03908	100.0
129.10229	3.5
130.04890	1.4
130.06517	4.5
132.04375	2.6
132.95857	3.9
134.99716	2.0
135.08052	1.6
136.79297	1.2
144.95822	4.0
144.99451	1.5
145.04955	23.5
145.10141	1.5
146.05998	2.6
146.97447	2.1
147.04396	3.5
149.09642	1.8
150.09975	2.8
150.96901	4.1
157.07646	2.3
158.05997	5.2
158.97389	10.9
162.96863	4.3
163.00478	6.3
163.06038	5.9
167.10634	2.1
168.10936	4.0
168.95879	2.9
175.08684	1.6
176.98463	5.2
177.05441	2.2
186.96935	3.0
187.00508	2.3
187.06010	20.9
200.98662	1.8
205.01628	4.7
205.07025	9.5
215.39799	1.5
216.97878	4.5
217.01555	5.2
233.09837	2.1
234.99020	18.0
241.01430	1.8
247.02628	1.7
271.08035	2.1
279.06619	1.3
289.03677	1.8
289.11984	2.0
307.04819	18.9
307.12973	4.0
316.71008	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	307.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	6.2
59.02537	5.3
59.49426	6.1
68.92347	5.3
71.58882	7.0
71.59270	10.9
82.44106	6.7
117.02142	7.6
120.70868	5.6
122.07189	15.2
133.03468	13.0
135.03236	14.2
139.71861	5.6
144.04750	8.6
149.01241	7.8
157.00917	6.1
164.08217	14.5
202.89162	14.6
219.21274	5.9
265.07642	7.5
275.04214	6.0
289.67667	5.9
307.07703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70237	1.5
53.70541	1.4
56.05043	1.7
56.96562	9.4
57.03434	2.5
66.47054	1.7
69.03443	2.1
69.69595	2.7
69.70008	8.3
70.04066	3.1
70.06572	4.4
75.98224	1.6
84.04504	3.0
84.08128	3.1
85.02899	5.7
95.04984	2.3
97.02888	2.3
98.97583	5.5
101.00882	8.4
102.05511	2.0
103.02434	4.3
112.99128	3.6
113.00874	1.6
115.02421	16.0
116.98631	2.9
117.02160	2.8
119.01911	42.6
121.01651	5.5
121.03484	4.2
122.07145	3.9
122.42677	1.7
127.03897	2.1
129.03963	5.0
130.06491	2.3
131.00162	9.3
131.01883	8.2
131.02731	1.7
133.03459	100.0
134.03555	7.9
134.99660	2.1
135.03171	28.3
137.02934	13.6
141.03911	2.8
142.97415	1.9
143.01921	4.0
144.04791	2.2
145.03456	6.4
146.06006	5.1
147.01379	2.9
147.05035	15.1
149.01222	11.0
149.02957	2.8
150.96909	2.3
151.04504	22.8
153.04234	7.2
155.85512	2.0
156.04988	2.2
157.03508	4.2
159.05014	50.9
160.05258	2.8
161.01331	1.7
161.01564	2.0
161.02940	16.0
161.04706	15.9
162.05276	2.5
163.02892	1.7
163.04521	6.4
164.08174	2.5
170.99652	2.6
171.01376	2.2
171.05013	16.0
173.02998	10.1
173.06520	3.0
175.02768	2.5
175.04523	4.4
177.02394	2.6
177.06078	20.6
179.05826	8.9
183.05011	7.8
185.04843	1.8
186.07605	5.0
187.00879	3.7
187.04520	6.3
189.00668	7.8
189.02448	5.3
189.06081	10.8
191.02319	1.9
191.03992	3.1
193.03894	2.3
195.07104	20.9
196.07257	2.7
197.06822	12.4
199.04588	3.7
201.06064	4.6
201.99240	1.9
203.03990	3.4
203.07649	5.3
205.01988	3.0
207.01781	8.4
211.04715	3.2
215.00395	4.9
216.97914	1.9
217.05635	3.6
219.03706	2.3
219.07115	58.9
220.07120	2.4
221.05154	2.3
221.08710	8.4
231.03708	8.7
231.07115	88.9
232.07365	4.3
233.05095	9.7
234.98973	1.9
237.02682	2.8
243.07852	2.8
245.05067	2.2
246.31581	1.9
247.02910	6.7
247.04912	7.7
247.06729	6.7
249.04578	1.9
259.06650	2.7
265.04108	2.2
265.07684	4.0
275.04150	16.4
275.06201	24.1
289.07797	3.7
307.08640	35.9
308.09039	3.0
308.12424	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	307.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96536	0.5
57.21900	0.3
59.74010	0.4
67.46318	0.3
71.58440	0.4
76.83848	0.3
87.77682	0.3
101.00879	0.9
113.99844	0.3
119.01913	7.1
134.99777	1.0
137.02934	3.6
151.04736	0.4
153.00917	0.7
158.99840	0.5
161.02943	0.5
175.04359	0.4
177.00943	17.2
178.01082	0.8
179.00751	0.5
182.99915	0.4
195.02005	0.8
201.00877	0.7
217.04001	2.1
219.01987	23.7
220.02112	1.1
221.01738	2.1
225.00845	2.1
240.05582	0.9
242.03598	0.8
243.01964	4.9
243.04266	0.5
251.75957	0.4
258.03250	0.5
258.06689	0.8
260.04639	0.6
261.03049	100.0
262.03174	3.8
284.04773	6.7
285.04822	0.4
292.83118	0.4
299.01834	0.4
299.05548	0.4
302.03824	1.6
302.05630	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	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15216	0.4
53.16055	0.3
67.05506	0.5
67.63749	0.4
69.07051	1.1
79.05491	0.8
81.07040	0.7
82.50309	0.5
88.68891	0.4
91.05466	0.6
93.07040	0.8
94.04185	1.7
97.06543	0.6
104.40396	0.4
107.89803	0.4
109.10162	0.5
114.09123	0.4
122.03632	6.2
133.10136	0.7
135.11703	1.5
137.05971	100.0
138.06296	0.9
153.12758	0.9
170.15393	3.0
176.93536	0.4
182.15416	2.5
240.00443	0.5
246.79706	0.5
254.76227	0.5
289.96490	0.5
306.20615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01872	1.0
55.05510	8.3
56.05047	0.3
57.07080	1.0
59.44912	0.2
59.45258	0.2
65.03915	0.4
67.05502	10.3
69.03423	0.3
69.07063	8.5
70.06595	0.2
70.67020	0.4
70.67380	0.4
71.08613	0.5
72.04530	0.2
79.05486	3.0
81.07053	8.7
82.06580	0.4
83.04974	0.4
83.08617	2.8
84.08157	0.2
85.05281	2.7
86.06068	1.5
91.05471	1.6
93.07037	2.0
95.04957	0.6
95.08603	5.8
96.08075	0.4
97.06535	0.3
97.10152	1.2
98.06049	16.1
98.09673	0.2
99.06845	0.3
99.08038	0.2
105.07019	1.0
107.08585	1.3
108.08203	0.2
109.06491	0.9
109.10146	1.9
110.09678	0.4
112.07603	2.3
116.59493	0.2
119.08566	0.9
120.08085	0.3
121.10102	0.6
122.09657	0.4
123.11723	0.4
124.07575	0.5
125.09628	0.3
126.09135	0.9
131.08565	0.2
133.10114	0.3
134.09651	0.2
135.11685	0.4
136.11235	0.2
137.05948	1.8
137.09659	0.3
137.13181	0.3
138.09120	0.5
140.10680	0.9
145.10115	0.4
147.11685	0.3
149.09612	0.3
152.10655	0.3
154.12245	0.7
161.13278	0.3
165.12738	1.7
166.12230	0.2
168.13782	0.4
182.15388	0.6
194.15353	0.5
196.16982	0.7
208.17015	0.9
210.18633	0.2
222.18547	0.5
236.20087	0.4
250.21681	0.3
275.20059	0.8
289.18057	0.2
289.21445	0.5
306.27887	100.0
307.22678	1.5
307.28149	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	306.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.5
55.93521	7.8
56.05029	4.5
56.94312	1.6
56.96556	6.2
58.06581	2.1
59.80132	1.2
60.04521	28.6
61.59494	1.2
67.05513	1.8
69.03418	4.6
69.07046	1.3
70.02949	2.1
70.06589	28.7
70.95844	4.5
71.34782	1.8
71.92991	2.4
72.08150	6.0
72.93774	11.8
74.06071	8.7
81.03418	2.0
81.04546	4.8
83.04974	1.3
84.04500	5.7
84.08133	7.8
85.02887	3.1
85.08440	1.4
86.06056	1.6
86.09701	74.6
87.05592	12.9
87.10065	1.3
88.04002	1.3
89.94061	1.8
90.94816	9.7
91.05470	1.5
97.02875	3.5
98.06064	2.5
98.97601	3.1
101.02383	1.4
102.05533	3.0
106.04999	2.0
108.95856	4.8
110.07130	3.0
112.11203	1.4
116.07105	3.7
116.98632	2.7
119.01910	2.3
120.08109	1.7
122.07146	52.8
126.03765	2.4
126.05514	3.5
128.10742	8.1
128.11520	1.2
128.96384	1.9
129.10249	1.8
130.98004	1.3
131.00124	1.4
131.94948	1.7
132.10147	1.3
132.95808	7.1
133.03470	5.8
134.97362	2.2
134.99654	2.8
136.06166	4.3
136.07545	1.5
136.95360	2.2
141.97081	2.0
143.08202	1.7
144.04770	25.5
144.06496	1.7
144.95815	5.3
144.99377	2.4
145.09750	1.6
146.03886	1.4
146.97391	2.5
147.04398	2.1
149.01160	1.6
149.96114	6.4
150.07756	1.9
150.96896	7.5
158.97404	11.2
161.09280	2.9
161.96082	1.8
162.96925	7.0
162.99352	1.8
163.00465	7.5
164.08182	42.4
168.95853	3.7
173.12852	100.0
173.96007	1.3
174.13170	2.2
174.96906	3.8
176.98489	6.7
177.00769	1.7
180.23903	1.3
185.04411	1.4
186.96909	4.7
187.00555	2.2
187.97710	2.0
189.08603	2.7
191.97327	1.4
197.05734	1.7
198.97046	1.7
199.97807	1.7
201.12341	27.3
203.06546	1.9
203.97086	1.6
204.97978	1.8
205.01569	3.9
205.11934	1.9
216.97928	6.5
217.01636	4.0
219.07185	1.7
219.13432	2.3
223.01201	2.0
231.07088	2.7
233.99579	2.2
234.98985	32.4
241.01813	1.4
253.00018	7.2
262.01309	4.5
267.98972	1.7
275.06195	2.6
278.00781	1.5
288.15408	4.1
289.03763	4.1
305.03189	3.2
306.12137	2.5
306.15869	3.8
307.04727	19.6
307.08160	2.7
307.12216	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	306.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
55.93515	0.5
56.05022	0.8
56.96551	1.0
60.04528	1.0
68.05008	0.7
69.03423	0.5
69.07066	0.5
70.06587	100.0
70.37135	1.3
70.95878	0.5
71.06917	1.0
72.08152	1.4
72.93785	0.8
74.06077	1.3
80.60915	0.4
84.04500	0.9
84.08137	2.3
85.02908	0.7
86.06086	0.5
86.09693	1.1
87.05531	0.4
90.94830	1.3
102.05578	0.7
104.05375	0.4
104.07069	0.5
110.07182	1.1
122.07165	0.7
129.10255	1.0
130.08653	1.4
132.95856	1.0
132.96822	0.4
136.06186	7.1
146.97379	0.5
147.04443	0.7
150.96852	0.6
158.46860	0.4
158.97404	0.6
162.96901	0.6
175.10753	0.6
176.98489	0.5
177.00697	0.4
189.53238	0.5
191.97032	0.4
203.10291	0.6
234.99083	1.0
247.99896	1.1
288.95337	0.4
306.11844	5.3
306.15421	0.8
307.04706	0.5
307.11542	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03928	5.6
55.05510	16.6
56.96555	3.8
57.03425	2.5
57.07065	6.3
59.04992	3.5
65.03921	2.6
67.05499	32.4
67.05827	3.1
69.03408	5.9
69.07054	20.9
71.04985	32.8
71.45030	4.5
79.05485	32.7
81.07048	100.0
82.12923	1.9
83.04998	10.3
83.08627	10.6
85.06531	8.4
91.05460	24.3
93.07036	66.2
95.04948	8.9
95.08597	56.4
97.06515	9.1
97.10155	5.5
98.97566	7.6
99.08093	9.3
105.07026	38.2
105.07658	2.1
107.08588	66.9
109.06496	12.1
109.10152	45.0
111.08097	5.9
111.11682	2.8
113.09672	4.1
116.97865	2.5
116.98612	8.8
117.07018	6.2
119.08566	47.1
121.06537	2.7
121.10129	59.4
123.08075	9.6
123.11697	17.4
125.08794	3.1
125.09588	14.1
125.13213	2.5
127.11158	17.5
129.81114	2.0
131.00128	4.4
131.08562	15.3
133.10120	30.5
134.99620	4.3
135.08070	3.4
135.11697	21.8
137.09602	11.8
137.13277	6.1
139.11182	3.5
143.08577	4.9
143.10670	8.7
145.10110	29.0
147.11685	30.9
149.01184	2.9
149.09602	4.9
149.13243	25.0
151.11186	7.9
153.12694	5.9
155.10677	2.3
157.10136	8.5
159.11665	22.7
161.13206	13.2
163.11208	7.6
163.14804	8.5
165.12785	8.4
167.14337	2.8
171.11693	8.7
173.13263	14.7
175.14801	8.7
177.00708	5.9
177.12688	3.8
177.16408	9.9
181.15973	2.6
185.13235	6.1
187.14836	6.8
189.16377	6.5
191.02284	3.6
191.17908	2.4
193.15849	4.3
195.17484	5.6
199.14847	7.6
201.16359	40.3
203.14418	2.7
203.18018	5.5
205.15892	7.5
207.17395	2.8
213.16359	7.9
215.17923	5.8
217.15884	2.5
217.19470	2.3
219.17371	12.2
223.16933	7.0
227.17979	4.1
231.17229	2.0
241.19472	2.3
269.22656	16.0
287.23621	30.2
305.05624	4.1
305.17700	2.4
305.24741	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	305.2473
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
51.80852	2.5
53.03940	5.2
55.05502	21.9
56.96551	10.9
57.07066	8.5
60.02193	2.8
65.03946	2.7
67.05497	26.0
69.03429	17.1
69.07056	25.7
69.62715	8.3
69.63155	10.7
71.04989	49.6
73.06551	4.1
74.19014	2.6
79.05068	2.5
79.05487	37.3
81.03413	5.1
81.07050	100.0
83.04967	7.4
83.08629	12.9
84.04483	2.7
85.06508	4.2
88.78098	2.5
91.05473	19.6
93.07041	69.5
95.04946	11.2
95.08039	4.2
95.08599	54.8
97.02882	3.5
97.06519	18.9
97.10150	7.2
98.97567	8.2
99.08064	15.9
105.07024	45.9
107.08591	92.3
109.06497	11.3
109.10144	33.5
111.08064	6.3
116.98576	9.4
117.07007	5.9
119.06055	2.7
119.08572	47.5
120.08965	2.4
121.06517	5.4
121.10139	26.1
123.08070	7.6
123.11693	22.9
125.09596	17.4
127.07533	3.9
127.11182	87.8
128.11510	3.0
129.07036	4.0
131.08534	10.3
133.06570	2.7
133.10109	27.6
134.99687	3.8
135.08041	6.9
135.11681	82.9
136.07549	2.7
136.12021	2.8
137.09584	5.3
137.13258	13.9
139.11159	4.2
143.08566	4.7
145.10130	27.6
147.08029	3.2
147.11699	16.5
149.01138	4.3
149.09589	6.7
149.13260	19.1
151.07491	3.4
151.11186	3.9
153.12691	3.3
155.10672	34.8
157.10117	16.8
158.99654	4.5
159.11678	20.7
161.13235	8.7
163.14803	6.4
165.12790	3.4
171.11662	7.0
173.13225	7.8
175.11261	3.7
175.14836	4.3
177.00705	7.0
177.16304	3.3
183.13786	11.8
185.13275	8.2
189.16339	5.5
191.02217	7.8
193.15921	3.2
199.14787	5.0
201.16371	33.9
203.14235	3.1
203.18008	3.9
213.16357	11.1
219.17459	21.3
224.08005	7.9
259.17087	3.0
269.22626	10.3
287.23782	15.0
305.17294	7.8
305.24759	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03928	3.7
55.05505	25.2
56.96548	3.6
57.03410	3.3
57.07055	6.4
59.04997	11.4
65.03897	2.7
67.05492	19.8
69.03409	5.9
69.07064	25.1
70.06573	6.6
70.16262	8.6
71.04990	12.3
79.05489	20.9
81.03437	1.7
81.06573	3.4
81.07047	55.5
83.05013	3.8
83.08603	6.9
85.06528	6.5
88.07633	2.9
91.05480	17.7
93.07038	67.5
95.04945	6.5
95.08595	42.9
97.06527	10.9
97.10171	11.8
98.97573	9.6
99.08080	10.8
104.52138	1.7
105.06380	2.6
105.07030	36.4
107.04917	3.1
107.08586	100.0
109.06520	10.8
109.10151	28.4
111.04436	1.8
111.08069	3.5
116.98601	6.9
117.07008	5.5
119.08569	47.8
121.06520	2.6
121.10125	46.2
123.08044	5.7
123.11711	14.2
125.09621	15.4
127.07517	5.4
127.11168	8.1
129.06998	4.1
131.00160	3.0
131.08551	13.0
133.10127	25.8
134.99617	2.5
135.08044	3.2
135.11682	15.9
136.07509	2.4
137.09628	5.5
137.13181	3.2
139.11197	4.2
141.09125	2.2
143.08554	4.0
143.10634	11.8
143.66861	1.7
144.09216	1.9
145.10121	24.2
147.11655	28.6
149.01215	2.5
149.13246	79.7
151.11143	4.0
155.10635	3.3
157.10123	9.0
159.11697	22.3
161.09621	2.8
161.13234	11.1
163.14833	4.2
165.12695	3.0
169.12209	6.3
171.11703	6.7
173.01218	2.5
173.13274	9.4
175.14771	5.3
177.00710	3.4
177.12772	2.1
177.16385	5.2
185.13280	6.1
187.14795	5.2
189.16360	7.1
199.14799	7.0
200.20052	3.1
201.14786	2.9
201.16402	27.1
203.17946	12.9
213.16348	6.9
215.17998	13.5
217.15895	3.3
217.19489	3.2
219.17419	3.4
229.19426	5.0
231.17323	3.3
244.22678	8.6
245.22235	2.4
269.22638	14.0
287.23679	21.8
305.05301	3.3
305.21317	3.1
305.24695	43.1
306.26413	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	305.2109
Annotation	Agallochin I
Peak:m/z	Relative Intensity
55.05507	24.5
57.03418	4.4
57.07057	7.2
57.18637	3.3
59.04998	51.5
65.03947	5.1
67.05511	18.5
69.03427	6.2
69.07056	16.0
71.04967	3.3
75.04458	3.3
79.05477	17.1
81.07054	19.1
83.04974	6.2
83.08597	7.5
85.06546	36.9
91.05484	53.9
93.07030	40.2
95.04963	12.2
95.08592	23.4
96.61686	3.0
97.06549	6.1
98.20760	7.4
105.06363	4.9
105.07030	45.6
107.04923	6.7
107.08595	33.3
109.06499	18.7
109.10126	11.0
115.05473	6.2
117.07037	23.7
119.08569	39.0
121.06504	7.4
121.10146	47.0
123.08073	31.3
125.09653	15.1
128.06224	4.2
129.07018	6.3
130.07771	5.5
131.08546	16.4
133.06483	9.5
133.10115	14.0
135.08060	34.6
135.11676	5.3
139.11168	3.6
141.06856	3.2
142.07761	8.8
143.08540	12.5
145.10146	36.1
147.08035	5.4
147.11710	7.5
149.09608	42.2
150.10394	61.7
151.11174	53.3
154.07674	3.5
155.08604	4.8
155.10649	9.2
156.09375	9.6
157.10155	15.5
159.08008	4.1
159.11694	14.5
161.09625	7.5
163.11241	5.3
165.09157	19.9
167.08569	6.5
167.10660	34.2
169.10101	8.1
170.10872	3.4
171.11665	17.4
172.12334	3.6
173.09631	7.3
173.13269	13.1
175.11179	11.7
177.12767	7.2
181.10156	6.8
182.10947	10.8
185.13223	4.0
187.11130	5.2
189.12738	10.1
190.96297	3.4
193.10019	3.9
194.10841	4.5
195.11737	9.3
196.12476	4.4
197.13287	17.0
199.11139	12.0
201.12798	5.1
203.14252	6.0
205.12228	31.0
205.15866	11.2
205.21764	3.3
207.11638	7.5
209.13225	3.9
213.12689	5.4
213.16382	5.1
215.14287	13.3
222.13875	5.7
229.15868	8.9
233.15407	8.7
237.16399	17.7
239.14299	4.4
247.17014	5.9
249.14969	4.5
255.17416	21.3
269.19025	9.0
273.18527	10.8
287.20047	80.2
288.20297	4.4
305.17743	6.8
305.21106	100.0
305.24609	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	305.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22615	5.6
53.03940	17.9
53.92503	5.2
55.01860	15.9
55.05505	33.1
59.37017	5.4
67.05502	54.8
69.03425	7.9
69.07051	17.0
71.04989	7.9
71.60942	7.5
79.05489	100.0
81.03408	20.6
81.07047	91.3
83.04984	32.9
83.08621	8.9
84.91210	6.1
85.06535	11.1
91.05474	62.8
93.07038	82.8
95.04976	32.8
95.08602	35.7
105.07015	49.3
107.04949	50.0
107.08594	78.0
109.06522	25.5
109.10131	36.0
117.07024	48.5
119.08560	33.0
121.06496	20.6
121.10146	44.4
123.08065	15.8
125.09624	21.0
129.06989	17.6
131.04929	11.8
131.08568	76.1
133.06471	77.7
133.10120	25.1
135.08035	72.4
135.11714	6.1
143.08554	10.8
145.10121	18.4
147.11665	7.5
149.09616	73.8
150.10295	6.0
151.11166	9.9
157.10118	11.0
159.08090	18.5
159.11705	8.2
161.09647	15.3
167.10689	5.9
171.11757	11.7
173.13283	8.1
177.09122	67.4
191.14426	6.0
236.60255	5.9
245.18869	11.9
255.17447	9.9
273.18457	46.6
287.20151	13.5
305.21136	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2108
Annotation	monacolin L lactone
Peak:m/z	Relative Intensity
53.03939	10.7
53.51319	8.8
55.05496	32.6
56.96555	23.8
57.07071	14.4
59.04985	13.0
67.05504	55.2
69.03414	20.2
69.07049	29.0
70.06596	8.2
70.27874	18.2
70.28265	12.3
71.04986	13.1
73.02913	8.7
76.02367	6.6
79.05486	37.5
81.07056	72.8
83.04967	18.9
83.08620	16.9
85.06521	13.0
91.05485	47.6
93.07038	100.0
95.04989	45.3
95.08599	84.4
97.02885	10.8
97.06519	17.1
97.10164	14.9
98.97570	21.5
105.07021	75.3
107.08595	90.9
109.06512	17.3
109.10151	38.9
111.08029	9.5
116.98618	29.2
117.07003	14.5
119.08565	70.6
121.06479	7.8
121.10129	88.7
123.11712	22.7
125.05968	8.4
125.09619	20.8
129.06987	12.0
131.08595	43.7
133.10124	46.1
134.23314	7.4
134.99670	12.6
135.08035	16.9
135.11684	15.2
137.09570	14.7
139.07513	8.1
142.07791	15.8
143.08551	30.1
145.10124	46.9
146.99660	7.2
147.08076	9.2
147.11674	25.5
149.01152	17.3
149.09624	35.2
149.13281	35.0
151.07504	17.8
151.11127	7.9
155.08594	9.9
155.43430	7.7
156.03609	20.9
156.09329	13.4
157.10135	45.3
159.11702	55.6
161.09627	17.4
161.13171	12.1
165.09106	15.8
167.02312	10.5
169.10088	8.2
170.10905	9.7
171.11685	24.2
173.13234	50.3
175.11105	7.4
175.14793	15.5
177.00668	7.8
177.12738	8.1
183.11691	13.2
185.13347	20.1
187.11154	15.3
187.14787	12.1
189.12805	12.5
195.11728	9.7
199.14873	13.4
201.16434	12.0
203.14372	9.1
211.14882	18.7
213.16362	14.5
215.17928	12.4
224.08057	82.0
224.58218	25.9
225.16354	8.7
227.72256	7.3
231.13803	10.1
237.38739	7.6
241.19495	13.4
243.17712	7.6
243.25185	7.1
247.08527	17.0
263.16376	12.3
269.18924	26.3
287.20001	27.8
287.23206	9.2
298.37927	9.4
305.05603	12.3
305.10693	13.8
305.17255	31.9
305.21088	83.2
305.24722	21.3
305.28717	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	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.65776	0.3
61.28439	0.2
65.03927	0.3
67.01880	0.2
67.05496	1.2
67.10944	0.2
69.03989	0.2
71.31341	0.4
77.03925	0.5
79.05486	0.5
79.29612	0.2
80.22174	0.3
81.07040	1.3
91.05470	3.4
93.05779	0.7
93.07037	3.1
93.61150	0.2
93.78168	0.3
94.06572	0.6
95.04944	2.2
95.08569	0.2
96.08127	0.7
97.06536	0.6
105.04491	0.5
108.08129	1.9
109.10134	0.3
122.06026	4.3
124.07585	9.4
126.05489	1.9
136.07565	100.0
137.07935	1.3
138.09128	0.6
140.07079	1.5
150.05457	0.5
152.07053	18.1
164.07053	79.3
165.07410	0.8
166.08592	0.8
170.08138	4.2
182.08113	15.0
184.09813	0.3
287.13889	4.0
305.05569	0.6
305.14838	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23841	1.6
53.03929	5.4
55.01856	5.8
55.05266	1.9
55.05510	30.7
56.05835	2.4
56.96547	3.0
57.03418	3.3
57.07072	2.7
57.72028	1.4
59.04989	3.6
65.03939	2.9
65.58147	1.5
67.05497	43.2
68.05821	4.9
69.03409	3.8
69.07069	18.6
69.49718	14.6
70.06588	3.2
70.07401	2.9
71.04987	2.7
71.06900	2.1
73.06538	4.2
79.05049	3.3
79.05489	42.0
80.05814	2.8
81.07050	57.2
82.07368	6.0
83.04980	4.7
83.08599	6.3
85.05270	4.5
85.06527	18.2
88.07636	2.6
91.05473	57.6
92.05753	2.1
93.06465	2.7
93.07042	53.2
95.04961	13.1
95.08601	34.8
96.08926	3.2
97.06513	6.1
97.10175	4.8
98.06051	14.1
98.21477	2.2
98.97568	1.7
99.06360	3.5
99.08037	1.6
103.05441	2.7
105.07021	40.2
107.04920	5.7
107.08591	24.7
109.06509	10.5
109.10144	9.7
111.08057	2.0
113.06007	8.9
113.71332	1.7
115.05418	2.7
117.07004	20.9
118.47381	1.5
119.04853	1.9
119.08562	24.5
121.06487	8.3
121.10142	15.1
122.10448	1.9
123.08048	5.4
123.11725	2.0
125.09616	15.9
128.06209	6.4
129.06993	13.3
130.07764	5.1
131.04869	1.8
131.08562	45.3
131.98370	1.5
132.08961	1.9
133.06464	5.1
133.10121	14.2
135.08066	13.0
135.11696	4.7
137.05948	12.5
139.11212	4.5
141.06992	3.7
142.07771	2.2
143.08549	35.9
145.10117	39.6
147.08012	7.6
147.11673	7.1
149.09596	7.8
149.13245	2.0
151.07605	1.5
151.11084	2.6
155.08507	2.8
157.10147	11.9
159.08012	2.9
159.10370	1.9
159.11646	10.9
161.09601	10.8
161.13242	3.1
163.11218	5.4
165.12724	1.8
167.08459	1.9
169.10075	9.7
171.11697	11.5
173.09628	2.3
173.13228	3.4
175.11209	4.7
177.12811	2.2
181.10127	2.4
183.11691	5.4
185.13223	4.2
187.11192	2.0
189.12718	2.8
193.12267	3.2
195.11688	9.7
197.13290	2.2
201.12808	2.0
213.16267	2.4
217.12291	1.9
227.17934	3.3
237.16399	6.4
245.19019	2.7
255.17462	6.9
273.18509	21.1
287.20071	4.7
305.17963	2.1
305.21509	15.8
305.26639	100.0
305.31396	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	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01867	0.3
55.05497	0.4
56.96558	0.3
65.01751	0.2
65.03922	0.4
67.05498	1.0
69.07060	0.5
70.34774	0.7
70.59858	0.2
72.08160	0.2
73.70004	0.2
77.03938	0.6
79.05485	0.8
80.05010	0.3
81.03397	0.3
81.05786	0.3
81.07043	1.4
84.08134	0.3
85.06551	0.2
91.05470	4.1
93.05766	0.5
93.07040	2.9
94.06577	0.7
95.04958	2.0
95.08581	0.4
96.08129	0.9
97.06507	0.5
98.97523	0.4
101.42036	0.2
101.88804	0.2
105.04472	0.4
105.06987	0.5
107.08574	0.4
108.04433	0.3
108.08108	1.9
109.06473	0.3
116.98585	0.5
119.08528	0.3
121.06476	0.4
121.10110	0.4
122.06004	2.6
123.11714	0.3
124.07582	11.0
126.05485	1.7
133.10141	0.4
136.07562	100.0
137.07906	0.8
138.09113	0.7
140.07065	2.0
150.05544	0.5
152.07053	19.0
161.13106	0.2
164.07050	76.0
165.07430	1.0
166.08705	0.2
170.08113	5.1
182.08112	15.4
224.07893	0.4
269.12729	0.3
287.10776	0.3
287.13840	2.4
305.05536	1.0
305.14926	1.2
305.24811	0.4
306.25156	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	304.2633
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
53.03940	0.7
55.01860	0.9
55.05510	6.2
56.05032	0.4
57.07065	1.1
65.03928	1.0
67.05500	20.1
69.07063	5.7
69.97294	1.2
70.06568	0.9
71.06920	0.5
72.04503	0.6
79.05489	7.2
81.07051	13.0
82.06535	0.4
83.04958	0.3
83.08619	1.5
85.05270	3.4
85.95940	0.3
86.06060	1.0
88.07607	0.7
89.07959	0.6
91.05474	3.4
93.07039	6.0
94.49648	0.3
95.04961	1.2
95.08604	9.0
97.10126	0.6
98.06047	18.7
105.07036	1.9
107.08562	2.6
109.06503	0.3
109.10143	2.6
110.09640	0.4
112.07613	2.4
117.07014	0.4
119.08584	1.0
121.10136	1.2
123.11677	0.9
124.07574	1.0
124.11215	0.4
125.08404	0.5
126.09120	0.6
131.08546	0.7
133.10110	0.7
135.08008	0.4
135.11641	0.7
138.09143	0.8
138.12744	0.3
140.10666	1.0
145.10068	0.6
149.13269	0.7
152.10683	0.6
154.12273	0.8
166.12242	0.6
167.66545	0.3
168.13766	0.6
180.13847	0.6
182.15378	0.6
189.34509	0.3
194.15417	0.4
196.16994	0.9
208.16997	1.0
222.18404	1.7
234.18594	0.5
236.20050	0.6
248.19893	0.6
262.21637	0.4
286.30164	0.4
304.26312	100.0
304.30933	7.1
305.26675	3.9
305.30484	0.4
313.07242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74924	1.1
56.96289	2.6
56.96563	48.7
58.00137	1.2
67.05503	6.0
69.07053	2.2
70.96391	2.4
70.96728	1.7
71.95255	3.6
74.97619	2.0
79.05483	2.5
81.07049	4.3
91.05463	3.8
93.07033	3.2
95.04940	1.8
95.08587	7.3
96.08976	2.7
98.06047	2.3
98.97513	1.5
105.07022	1.8
107.08530	1.6
108.57830	1.4
109.06477	1.5
109.10165	2.5
123.01176	2.2
123.08027	2.0
123.52862	1.2
141.02255	2.4
146.99663	1.3
152.07974	1.4
153.02229	5.0
155.03809	2.7
157.01758	3.7
159.03255	1.8
163.30106	1.3
167.03854	1.9
169.01672	4.7
171.03278	15.1
173.04861	3.2
181.05296	1.8
183.03334	3.1
185.04860	7.7
187.02780	3.2
189.04309	6.6
197.04782	1.7
199.06427	5.5
203.05875	9.6
209.08536	1.3
215.05937	3.5
217.07468	8.4
221.06682	1.6
221.08603	2.2
225.08000	4.1
227.09578	1.6
229.07455	1.3
233.08562	1.7
235.09987	2.6
237.07965	1.8
240.09042	1.8
242.21115	1.7
243.09097	3.3
251.09547	4.4
253.11087	3.0
263.09482	17.6
267.09158	1.8
269.10623	4.6
281.10583	100.0
282.10880	4.1
299.11649	87.0
300.12000	2.9
304.05252	6.7
304.12207	17.9
304.15576	2.0
304.19748	2.6
304.26105	12.7
322.13162	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	304.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
56.05035	0.9
57.07069	1.5
65.03928	1.1
67.05489	1.9
69.07062	3.7
69.27467	2.9
69.27890	2.3
70.06593	0.6
71.08617	0.6
74.06056	0.7
79.05491	2.2
81.07036	1.9
83.08627	0.5
85.06552	0.5
88.07606	2.0
91.05470	2.2
92.04964	0.5
93.03380	1.1
93.07058	3.0
95.04974	0.6
95.08587	1.8
97.06532	1.7
105.07025	0.6
107.04978	0.7
107.08603	2.4
109.05250	0.6
109.10130	0.9
110.03656	7.0
111.04430	4.4
111.08080	0.6
113.01869	0.5
117.06971	0.7
120.04427	0.7
124.07590	1.3
125.05995	10.8
125.09666	1.2
133.10144	0.7
135.11729	1.2
137.04716	5.1
137.05965	3.3
152.07062	100.0
153.07338	1.2
159.11743	0.5
177.09123	1.2
224.23741	0.5
229.21852	0.5
256.26358	2.1
274.92902	0.5
281.12280	0.5
304.05325	3.0
304.19165	2.6
304.28696	6.1
305.21045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01877	1.4
55.05492	1.9
56.05033	0.8
56.96553	1.5
57.03413	0.8
58.06575	0.7
60.44121	0.6
61.01143	0.6
65.03922	1.2
67.05499	6.3
69.03418	1.7
69.07076	1.3
69.77473	3.2
70.02936	2.6
70.06580	4.3
71.04976	2.4
72.08153	2.8
72.93775	1.0
76.00851	0.6
79.05489	4.6
81.03394	1.3
81.07053	4.1
82.06589	0.7
83.03693	0.7
83.04978	1.3
84.04475	1.6
84.08137	3.8
84.08909	0.6
85.02901	0.9
85.06540	2.1
86.09715	3.2
87.34435	0.7
91.05486	6.0
93.07057	4.7
94.06565	3.1
95.04983	4.8
95.08594	3.0
96.04465	1.3
96.08063	0.6
97.02863	1.0
97.06522	2.1
98.46579	0.5
98.97579	0.8
103.05451	0.9
105.07012	3.1
107.04931	2.2
107.08616	3.3
108.08118	1.0
109.02875	0.8
109.06498	2.6
109.10146	0.7
110.06034	1.7
110.07177	1.4
111.08068	0.6
112.08739	0.7
112.80842	0.6
115.08665	0.7
117.07002	1.8
119.08561	4.6
120.04454	1.6
120.08107	8.3
121.02855	1.0
121.06510	2.2
121.10124	1.9
122.06039	9.8
123.04418	0.9
123.08086	0.9
124.07586	4.5
127.07483	0.7
128.06194	1.4
129.06982	1.3
129.10208	2.0
130.06483	0.9
131.04930	1.0
131.08568	2.6
132.95879	0.8
133.06468	1.0
133.10126	4.6
134.06013	1.2
134.99591	0.8
135.04396	1.6
135.08047	1.3
135.11649	0.7
136.07571	17.5
137.02335	2.1
137.05980	3.3
137.09612	0.9
138.05501	8.9
138.09126	8.3
140.07053	1.3
142.07729	0.8
143.08539	2.9
144.13826	3.0
145.06439	0.9
145.10100	6.0
146.06055	1.0
147.04378	1.3
147.08041	3.3
147.11652	1.5
148.07605	1.1
149.09567	0.9
150.05473	2.6
150.96898	0.8
152.07050	1.9
153.01810	2.6
156.09251	0.7
157.06511	0.8
157.10124	2.5
158.07227	1.1
158.97379	0.8
159.08060	1.5
159.11682	3.7
160.07585	0.9
160.11186	2.0
161.09601	2.2
162.05502	8.2
163.03914	5.9
163.11183	0.9
164.03441	1.5
164.07071	4.4
165.01810	1.3
165.06865	0.7
166.04987	2.0
169.10091	2.0
170.09644	0.8
171.08032	0.6
171.11652	1.9
173.05919	1.2
173.08325	0.9
173.09616	4.2
173.13261	0.7
174.05481	3.8
174.09142	2.1
174.12938	0.7
175.07446	1.2
175.11147	1.9
177.05502	1.0
177.10286	1.5
178.04996	2.0
180.06555	2.2
180.29459	0.7
182.08171	0.9
184.11150	0.9
185.09529	1.0
187.07571	1.1
187.11139	5.4
188.10695	4.0
188.98489	0.9
189.09094	4.0
190.08669	0.9
190.12212	0.9
196.09926	1.3
197.09743	1.2
197.98428	1.0
198.09138	1.6
201.05443	0.7
201.09171	1.0
202.12254	1.1
211.12183	0.8
212.10732	1.9
213.09071	1.4
213.16422	1.5
214.12166	0.8
215.08463	1.1
215.10477	4.6
216.08318	0.8
216.10207	9.3
226.08676	0.7
228.08824	0.7
229.04950	3.1
230.11760	3.6
234.99107	0.9
240.10130	1.8
242.11707	1.1
243.07745	1.2
243.10287	4.2
244.09708	4.0
249.18579	0.7
257.04471	1.8
257.12738	2.1
258.08710	1.2
258.11264	13.9
260.12900	3.1
267.19608	1.1
275.13977	3.1
285.12311	9.8
286.10684	8.4
303.05057	24.6
303.13376	100.0
303.22937	1.9
304.05243	1.3
304.13730	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52257	0.6
53.03950	1.4
55.01869	1.8
55.05510	4.5
56.96567	1.9
57.03434	0.9
65.03930	1.4
67.05502	7.5
68.99806	0.8
69.03430	2.2
69.07063	4.6
70.06608	1.1
71.05003	2.3
71.59973	1.0
72.08150	1.0
73.82717	0.6
79.05515	4.0
81.03428	2.9
81.07056	8.4
83.04957	1.1
83.08630	1.9
84.08165	0.7
85.02882	0.7
91.05470	6.7
93.07037	7.4
94.06573	1.3
95.04942	4.0
95.08606	8.2
97.02879	0.8
97.06522	3.6
97.10204	0.7
100.18312	0.6
100.84662	0.6
103.05500	1.0
105.07027	7.7
105.76472	0.6
107.04988	0.8
107.08602	6.4
109.02884	1.3
109.06528	2.5
109.10146	5.0
111.00815	1.4
111.08077	0.9
111.33994	0.6
112.18372	0.6
115.05418	1.1
116.98647	0.9
117.07026	1.0
119.04970	0.8
119.08578	6.7
120.08098	1.2
121.02863	1.5
121.06506	2.5
121.10166	3.5
122.05977	3.9
123.04427	0.6
123.08065	2.1
123.11713	2.6
125.09621	1.4
127.86447	0.7
128.06200	1.4
128.08916	0.6
129.07010	1.5
131.04903	1.0
131.08563	2.9
133.06526	0.8
133.10149	4.0
134.99666	0.7
135.08051	3.6
135.11659	2.9
136.05269	0.6
136.07593	2.0
137.02371	5.1
137.05942	1.7
137.09634	1.0
138.09174	0.9
139.11212	0.7
141.07011	1.0
142.07788	0.7
143.08565	2.1
145.06490	0.8
145.10117	3.0
146.06010	0.9
146.09651	0.7
147.11656	4.1
149.06006	1.0
149.09642	1.4
149.13280	1.3
150.05536	0.9
151.07536	2.1
153.01825	5.7
153.05533	1.1
153.06967	1.5
154.06532	0.8
154.07802	0.8
155.04947	0.6
155.07358	1.4
155.08556	2.7
156.08080	1.1
157.06464	0.7
157.08939	1.0
157.10139	2.7
158.05980	0.8
158.09674	1.0
159.11690	3.4
161.05981	0.9
161.09637	1.2
161.13228	1.8
163.03897	2.0
163.07510	0.9
163.11234	1.4
165.01863	2.2
165.05753	0.6
165.07047	2.3
165.09187	0.8
168.05785	1.3
169.08864	1.1
170.09650	8.3
172.07526	1.2
172.09944	2.5
172.11261	1.1
173.05972	0.9
173.13257	1.3
174.09140	1.2
175.08701	1.8
175.11153	1.2
175.14789	1.0
183.02942	0.9
183.06711	1.5
183.08101	2.0
183.11682	0.8
184.11195	1.1
185.13190	1.1
186.09250	0.8
187.03914	0.7
187.08722	0.7
187.12347	9.9
188.10716	0.9
191.07059	0.7
197.08159	0.7
198.07306	1.5
198.09135	29.6
199.14804	1.7
200.09286	4.6
200.11003	1.2
201.05470	3.4
201.14055	0.9
201.16296	1.0
203.10695	0.6
206.55112	0.7
211.07533	2.2
212.10753	5.3
215.11813	21.0
219.06563	1.1
225.10164	1.0
226.08644	6.9
228.08989	0.8
229.04919	6.1
229.13382	1.2
231.11200	0.8
239.07262	0.7
240.10161	3.3
241.13239	0.8
243.11295	93.7
244.11609	2.3
247.05936	0.9
257.04468	2.5
257.12827	5.5
257.22778	1.0
267.21045	1.1
271.09674	3.5
274.04419	0.8
285.12326	100.0
285.22073	1.9
286.12592	3.7
303.04980	55.5
303.13187	9.8
303.19595	2.5
303.23187	8.3
304.05478	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	303.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
56.96555	0.4
60.34963	0.3
65.03938	4.1
67.05490	1.3
68.99768	0.5
69.03421	0.5
69.07055	1.3
70.19110	1.3
71.04953	0.5
72.08126	0.3
72.20294	0.3
79.05472	1.2
81.07056	2.1
83.04962	0.3
86.04112	0.3
91.05480	1.2
92.04995	4.2
93.07027	1.6
94.06582	0.7
95.04950	0.8
95.08591	1.4
96.08137	0.5
97.06520	0.5
105.07031	1.6
106.06490	0.5
107.08585	1.5
107.45148	0.3
109.10142	1.0
111.08096	0.4
117.07014	0.5
118.42615	0.3
119.08563	1.1
120.04519	0.5
121.06536	0.6
121.10121	1.1
122.06018	0.4
122.09695	0.6
123.11737	0.6
124.07626	0.4
124.11218	0.7
125.09543	0.4
131.08621	0.4
131.73718	0.3
133.10150	0.6
134.06027	0.5
135.11714	0.4
136.07597	0.5
137.02341	1.4
137.05977	0.4
137.09641	0.5
138.05496	26.6
138.09117	10.6
139.07478	0.4
143.08534	0.5
145.10110	0.7
146.05960	0.4
147.11650	1.0
148.03920	0.4
149.09686	0.4
150.09106	1.4
152.69156	0.3
153.01823	2.1
156.07971	0.4
157.10103	0.5
159.11646	0.6
163.05013	1.2
163.11174	0.4
165.01784	0.7
166.04993	40.5
167.05324	0.5
169.08856	0.6
172.11250	0.5
173.13380	0.6
174.09157	0.6
184.11276	1.6
186.12868	0.7
187.03906	0.4
189.12709	0.4
194.09749	0.4
195.09138	0.4
196.09927	1.3
198.09126	1.5
200.09367	0.9
201.05457	1.0
201.10078	0.9
201.13885	0.5
211.12300	1.8
212.10718	4.9
213.13965	0.9
214.12343	4.1
215.11792	0.7
219.06404	0.3
226.08612	0.5
228.08916	1.0
229.04875	1.3
229.09712	1.2
229.13356	2.5
230.11777	2.5
232.13313	3.1
239.11809	2.0
240.10223	1.7
241.11049	0.4
241.13350	1.0
242.11934	3.5
243.11285	2.7
244.09924	0.5
247.39481	0.3
256.08493	2.4
257.04523	1.0
257.09183	1.6
257.12827	12.2
258.11169	0.7
259.12045	0.9
260.12817	4.2
267.11270	1.2
268.09708	0.8
272.11526	13.8
274.09442	9.0
275.10181	1.8
275.13867	6.6
285.12317	18.8
285.22067	0.5
286.10675	1.5
303.05060	16.1
303.13364	100.0
304.05313	1.0
304.13690	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12835	1.3
54.24007	1.2
54.40861	1.3
55.05510	2.6
56.05035	3.6
56.96568	6.0
57.56924	1.2
60.04515	2.3
69.03423	3.1
69.07077	3.9
70.02965	1.3
70.06590	16.3
71.05019	1.3
71.39808	3.1
72.08166	8.7
72.93790	1.5
73.06572	2.2
74.06084	2.0
81.04614	1.3
83.06097	2.9
84.04515	4.3
84.08136	14.0
85.02928	3.8
86.09696	15.6
87.05616	2.2
87.12854	1.2
95.08644	1.4
95.87799	1.4
97.02911	1.7
98.02408	1.4
98.97604	3.8
110.02380	1.7
110.07162	17.5
115.05052	2.0
116.07111	2.1
116.98656	4.5
119.01913	8.0
127.03937	1.5
127.05067	5.0
127.08688	1.7
129.10278	5.0
130.08646	1.5
131.01897	7.2
133.03499	1.7
134.99689	3.1
137.02931	2.2
140.03488	1.5
141.05298	4.6
141.10246	3.2
146.99712	2.8
147.04384	1.5
149.03003	1.9
150.96854	1.3
155.01901	1.6
155.11884	1.8
156.07727	2.2
157.41245	1.4
159.05075	1.7
166.08720	1.4
169.09772	1.6
172.07251	3.3
173.03075	3.3
177.05962	2.2
183.11316	2.9
185.04327	2.2
186.12436	2.7
200.13930	2.4
201.06059	10.0
213.06232	6.0
219.01877	2.1
219.07207	2.9
221.04993	2.4
231.07439	2.7
237.02904	5.8
240.13466	3.7
243.07303	3.7
303.10583	100.0
304.11136	2.1
321.10547	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	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.38915	0.2
53.03944	0.2
53.81753	0.2
55.01866	0.4
55.05505	0.2
58.13885	0.2
65.03931	0.6
67.01871	0.4
67.05487	0.6
68.99785	2.4
69.03413	0.3
69.07064	0.4
71.34470	0.4
79.05489	0.3
81.03410	0.7
81.07043	0.3
83.01347	0.2
91.05489	0.4
93.03409	0.5
93.07008	0.3
95.04949	1.1
95.08592	0.4
105.03370	0.2
105.07028	0.5
107.04931	0.3
107.08594	0.4
109.02855	1.0
111.00800	2.1
111.04440	0.3
115.05426	0.3
117.07017	0.6
119.08572	0.2
121.02864	2.3
121.06499	0.2
123.04417	0.8
123.08070	0.3
127.03893	0.8
129.95877	0.2
131.04893	0.5
135.04410	0.7
135.07944	0.2
137.02332	7.8
137.03334	0.3
145.06503	0.9
145.10152	0.2
149.02354	1.0
149.03391	0.2
153.01816	11.1
155.04910	1.1
155.06012	0.4
159.04427	0.2
161.05965	0.7
163.03906	1.4
165.01826	4.0
166.02589	0.6
171.02803	0.3
172.95212	0.5
173.05966	2.0
177.01816	0.3
177.05470	0.3
179.03412	0.4
183.02870	1.9
183.04420	1.0
187.03891	1.1
190.96355	0.3
191.03401	0.4
195.02942	0.3
201.05464	5.2
205.04945	0.6
207.02901	0.3
211.03905	0.3
215.03290	0.3
219.06500	0.7
228.04228	0.6
229.04948	10.2
230.05258	0.3
239.03406	0.5
247.06053	1.8
257.01755	0.4
257.04425	5.6
258.04849	0.2
274.04681	1.6
275.05518	0.4
285.03931	2.3
302.30630	0.2
303.04968	100.0
304.05264	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	3.3
55.05505	4.7
56.05021	2.9
56.96564	15.8
59.47827	2.3
60.04528	6.3
67.05495	3.6
69.03415	4.6
69.07059	5.9
69.81245	14.9
70.06592	30.0
71.04977	3.0
72.08148	11.3
76.03988	3.5
81.03417	5.7
84.04471	9.5
84.08141	21.6
84.60333	2.5
85.02896	8.5
85.04051	5.1
85.66620	2.6
86.09699	22.4
87.36566	3.0
88.03965	3.8
90.94798	4.0
91.05470	3.8
97.02883	4.8
98.97573	13.0
110.07153	21.2
110.97530	3.4
114.72853	2.7
116.07087	5.5
116.98616	12.7
119.01924	14.0
121.38931	2.7
123.04478	3.7
127.03925	6.7
127.05023	6.7
128.98622	8.2
129.10239	10.0
131.01938	11.3
132.95769	2.9
134.99666	16.3
137.03021	3.4
137.05957	4.7
139.03928	4.7
141.05316	4.7
141.10185	6.6
143.11830	2.9
145.03450	3.8
146.99617	14.6
147.07655	3.7
149.01212	3.8
149.05991	12.9
150.96841	6.2
155.04543	4.1
155.11810	4.2
159.03267	4.9
170.99648	3.3
171.11320	3.7
172.07195	4.7
177.00661	3.7
177.05460	17.5
183.11237	4.9
198.66676	3.2
200.13953	7.4
201.06067	11.5
213.06111	10.9
219.01736	6.8
219.07164	4.3
221.05057	4.8
223.03888	3.6
231.07123	7.7
234.98982	4.6
237.02721	23.9
243.07213	6.2
255.03734	5.9
269.11539	3.2
303.10638	100.0
321.10107	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	303.0492
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.93661	0.3
55.01869	0.4
58.28585	0.2
65.03928	0.5
67.01849	0.6
67.05490	0.4
67.76987	0.3
68.99789	2.6
69.03423	0.4
69.47155	1.8
81.03406	0.8
82.30971	0.2
93.03403	0.8
95.04945	1.0
105.03362	0.3
107.05012	0.4
109.02870	1.4
110.03643	0.5
111.00797	2.1
117.06992	0.5
119.04929	0.3
120.51096	0.3
121.02842	2.4
123.04433	0.7
127.03911	0.5
131.04884	0.3
133.06506	0.3
135.04417	0.8
137.02330	8.1
137.03354	0.4
145.06496	1.3
149.02351	0.6
153.01811	11.8
155.04852	1.3
159.04333	0.3
161.05977	0.7
163.03885	0.8
165.01825	4.1
166.02554	0.6
173.05977	1.8
179.03409	0.5
183.02881	1.0
183.04425	1.0
187.03897	1.4
191.03432	0.4
195.02974	0.5
201.05460	5.1
201.07178	0.5
205.04938	0.4
211.03908	0.3
219.06567	0.7
219.29570	0.3
228.04201	0.8
229.04932	9.7
230.05344	0.3
233.96027	0.3
239.03320	0.5
245.04520	0.3
247.06047	1.0
257.04434	5.0
274.04620	0.9
275.05411	0.4
285.03851	2.2
303.04968	100.0
304.05322	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	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01861	0.6
56.96556	0.3
62.85336	0.2
65.03921	0.7
67.01849	0.5
67.05486	0.7
68.99787	2.6
69.03419	0.4
69.07048	0.2
70.85240	0.6
71.04966	0.3
79.05481	0.3
80.51024	0.3
81.03400	1.0
81.07038	1.1
83.08601	0.3
91.05454	0.7
92.88684	0.2
93.03391	0.7
93.07027	0.8
95.04961	1.4
95.08585	0.8
97.02869	0.3
97.06544	0.4
105.03410	0.3
105.06999	1.0
107.04962	0.5
107.08578	0.9
109.02855	0.7
109.06564	0.4
109.10147	0.5
111.00789	1.9
111.04473	0.2
115.72201	0.2
117.07022	0.6
119.08539	0.5
121.02854	3.3
121.10153	0.3
123.04401	0.7
127.03896	0.7
128.06181	0.2
129.06976	0.3
131.04967	0.5
131.08603	0.5
133.02823	0.2
133.10098	0.5
135.04408	0.5
135.08102	0.3
135.11650	0.4
137.02338	7.5
137.03368	0.4
145.02757	0.3
145.06491	1.0
145.10056	0.3
149.02281	0.8
153.01816	11.5
155.04881	1.1
155.06041	0.2
161.05948	0.8
163.03906	1.0
165.01817	4.4
166.02586	0.6
169.01285	0.6
173.06003	1.6
177.05431	0.4
179.03423	0.5
183.02859	1.5
183.04439	1.0
186.33702	0.2
187.03862	1.2
189.05484	0.3
191.03349	0.3
191.07080	0.4
195.02965	0.5
200.04575	0.3
201.05444	4.5
205.04951	0.5
211.03929	0.5
213.05504	0.3
219.03027	0.3
219.06477	1.0
228.04150	0.7
229.04930	9.9
239.03438	0.4
243.11246	0.3
247.06053	1.2
257.04425	5.7
270.77246	0.3
274.04688	1.5
275.05380	0.4
285.03967	2.6
285.12384	0.7
303.04962	100.0
303.23102	1.0
304.05283	4.2
305.29791	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.2
54.52346	0.1
55.01860	0.4
59.29193	0.1
65.03932	0.6
67.01856	0.4
67.05486	0.3
67.13403	0.1
68.99429	0.2
68.99783	2.6
69.03407	0.2
70.26186	0.3
70.26582	0.2
71.01354	0.2
79.05477	0.2
81.03410	0.7
81.07052	0.4
91.05465	0.3
93.03400	0.8
93.07037	0.2
95.04956	1.1
95.08595	0.2
98.21397	0.1
103.05474	0.1
105.03371	0.3
105.06999	0.3
107.01323	0.1
107.04951	0.4
107.08579	0.1
109.02859	1.1
110.03652	0.3
111.00047	0.1
111.00796	2.1
115.05468	0.2
117.07027	0.5
119.08572	0.2
121.02859	2.9
121.10132	0.2
123.04427	0.7
127.03925	0.5
128.06224	0.1
129.06966	0.3
131.04910	0.6
131.08517	0.1
133.02835	0.2
135.04413	0.7
137.02333	8.3
137.03377	0.5
137.05914	0.1
138.02634	0.1
145.02823	0.3
145.06451	0.9
145.10144	0.1
147.04376	0.2
147.11642	0.1
149.02370	0.8
149.05980	0.1
153.01814	11.5
154.02162	0.2
155.04887	1.5
155.06017	0.2
157.06494	0.2
159.04388	0.4
161.05951	0.8
163.03908	1.6
163.07603	0.1
165.01830	4.4
166.02608	0.6
169.01318	0.2
171.02910	0.2
171.11703	0.1
173.02341	0.1
173.05986	1.7
177.01874	0.2
177.05499	0.1
179.03386	0.3
181.01323	0.1
183.02876	2.0
183.04419	1.2
185.05946	0.2
187.03896	1.0
191.03421	0.4
191.07031	0.2
193.05006	0.1
195.02818	0.5
199.14792	0.2
201.05453	5.0
201.16220	0.1
202.05803	0.2
203.03401	0.2
205.05026	0.5
207.02863	0.3
211.03882	0.5
213.05534	0.3
215.03209	0.2
219.02892	0.4
219.06473	0.7
228.04161	0.9
229.04941	11.1
230.05334	0.3
232.03636	0.3
239.03360	0.5
245.04478	0.3
246.05220	0.1
247.05984	1.6
257.04425	5.8
258.04968	0.3
274.04703	1.4
275.05457	0.5
285.03931	2.8
285.22260	0.1
286.04645	0.2
303.04962	100.0
304.05304	3.2
324.36157	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	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01858	0.5
65.03915	0.7
67.01857	0.3
67.05483	0.6
68.99784	2.3
69.03428	0.3
69.48370	0.4
69.48775	1.4
69.56709	0.2
75.93830	0.2
76.20992	0.2
81.03403	1.0
81.07019	0.2
81.75944	0.2
86.23784	0.2
91.05463	0.3
93.03393	0.5
95.04959	0.9
97.02855	0.3
98.20746	0.4
103.05472	0.2
105.03336	0.2
105.06990	0.3
107.04900	0.5
109.02865	1.6
111.00787	2.1
112.01166	0.2
112.61243	0.2
115.05400	0.2
117.07020	0.4
121.02856	2.3
123.04416	0.9
127.03926	0.6
129.71725	0.2
131.04887	0.3
133.10054	0.2
135.04446	0.3
137.02333	9.1
137.03380	0.6
145.02878	0.2
145.06458	1.0
149.02350	0.8
153.01813	11.6
155.04936	1.3
159.04410	0.5
161.05949	0.8
163.03862	1.3
165.00511	0.4
165.01826	4.3
166.02530	0.6
172.14316	0.2
173.05968	1.8
174.43755	0.2
177.05502	0.3
177.36447	0.2
179.03355	0.7
183.02867	2.0
183.04431	1.3
187.03932	0.9
191.03423	0.5
191.06909	0.2
195.02948	0.6
201.05447	5.5
205.04942	0.8
207.02870	0.3
211.03876	0.5
213.05341	0.3
215.03439	0.2
217.04993	0.2
219.02945	0.3
219.06552	0.4
228.04185	0.4
229.04936	10.1
239.03421	0.6
245.04428	0.4
246.05270	0.2
247.06021	1.5
257.04449	5.3
265.01300	0.2
274.04672	2.0
275.05484	0.4
285.03882	2.5
287.83270	0.2
303.04962	100.0
304.05316	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.00298	0.1
53.03922	0.2
55.01872	0.5
56.40101	0.1
65.03928	0.6
67.01864	0.6
67.05479	0.4
68.99430	0.2
68.99784	2.8
69.03407	0.2
70.27561	0.4
71.01321	0.1
81.03407	1.1
81.07024	0.2
91.05457	0.2
93.03400	0.7
95.01329	0.1
95.04951	1.1
95.08622	0.1
95.86546	0.1
97.02846	0.2
103.05434	0.1
105.03364	0.4
105.07008	0.2
107.01269	0.2
107.04929	0.2
109.02872	1.4
110.03666	0.2
111.00799	2.3
111.04409	0.2
115.05442	0.3
117.07001	0.4
119.04936	0.1
121.01985	0.2
121.02855	2.8
123.04418	0.9
127.03925	0.8
127.05343	0.1
127.64239	0.1
128.06178	0.1
129.06967	0.2
131.03256	0.1
131.04904	0.5
133.02850	0.2
133.06430	0.2
135.04402	0.6
136.07535	0.2
137.02330	8.8
137.03380	0.5
138.02730	0.2
143.04913	0.1
145.02831	0.2
145.06464	1.1
146.06026	0.2
147.04343	0.1
149.02332	1.0
151.03864	0.1
153.01811	12.5
154.02164	0.2
155.04900	1.3
155.06029	0.1
157.06519	0.2
159.04419	0.3
161.05991	1.0
163.03893	1.5
164.06941	0.1
165.01817	4.7
166.02637	0.6
169.01299	0.2
171.02901	0.2
171.04305	0.1
173.02402	0.1
173.05968	1.8
177.01765	0.3
177.05499	0.3
179.03371	0.5
183.02856	1.6
183.04402	1.2
184.05061	0.1
187.03902	1.2
191.03348	0.4
191.07005	0.1
195.02826	0.4
201.05440	5.5
202.05806	0.2
203.03349	0.1
205.04999	0.7
207.02905	0.3
211.02199	0.1
211.03917	0.6
213.05446	0.2
215.03366	0.2
217.04921	0.1
219.02890	0.3
219.06516	0.7
228.04132	0.8
229.04936	11.6
230.05270	0.4
232.03694	0.2
239.03461	0.6
243.11255	0.1
245.04431	0.2
246.05214	0.1
247.06023	1.5
257.04422	6.3
258.04913	0.3
274.04672	1.9
275.05380	0.4
285.03922	2.6
285.12231	0.2
286.04510	0.3
303.04953	100.0
304.05298	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.01865	0.4
58.37540	0.2
59.31628	0.2
65.03947	1.0
67.01851	0.4
67.05494	0.4
68.99783	2.6
69.79324	1.2
80.77621	0.2
81.03405	0.8
82.77056	0.2
91.05442	0.2
93.03389	0.9
93.84771	0.2
95.04962	1.0
97.02892	0.2
103.05471	0.2
105.03405	0.2
107.04930	0.4
107.08575	0.2
109.02855	1.6
109.54708	0.2
111.00808	1.7
111.04404	0.3
115.05443	0.3
117.06999	0.6
121.02862	2.9
123.04416	0.8
127.03907	0.9
131.04955	0.5
135.04388	0.7
137.02332	8.9
137.03378	0.5
145.02802	0.3
145.06497	0.9
149.02322	1.1
153.01822	13.7
154.02167	0.2
155.04898	1.4
159.04433	0.3
161.05988	1.0
163.03943	1.6
165.01837	4.1
166.02571	0.7
173.05968	2.2
177.01736	0.5
177.05457	0.4
179.03322	0.7
183.02856	1.5
183.04430	1.4
186.93678	0.2
187.03896	1.4
191.03461	0.4
191.07108	0.4
195.02867	0.6
200.42967	0.2
201.05457	5.5
205.04997	0.5
211.03926	0.4
213.05540	0.3
215.03497	0.3
219.03020	0.3
219.06512	0.6
228.04196	0.8
229.04935	11.0
230.05357	0.5
232.03632	0.3
239.03363	0.5
247.05989	1.3
257.04440	5.7
274.04636	1.5
285.03912	2.4
300.09442	0.2
303.04968	100.0
304.05286	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	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72712	0.2
65.03922	0.3
67.05465	0.2
68.99789	1.4
69.72782	0.5
69.73203	0.8
74.47762	0.2
81.03397	0.3
93.03393	0.4
95.04944	0.4
105.61421	0.2
109.02857	0.9
111.00797	1.9
115.05423	0.3
121.02869	1.6
123.04412	0.3
127.03929	0.3
131.04961	0.3
137.02339	4.8
137.03378	0.3
145.06462	0.4
149.02344	0.6
151.70145	0.2
153.01817	7.2
155.04900	0.9
159.04408	0.2
161.05949	0.5
163.03889	0.8
165.01836	2.9
166.02603	0.4
173.05998	0.7
174.63809	0.2
177.99341	0.2
179.03241	0.3
183.02878	1.3
183.04419	0.5
187.03932	0.6
191.03377	0.3
201.05444	2.8
205.05112	0.2
207.02719	0.2
211.03842	0.3
213.05484	0.2
219.06538	0.6
228.04111	0.4
229.04950	7.5
232.03700	0.3
239.03564	0.4
247.06052	1.0
257.04449	4.0
258.05127	0.3
274.04681	1.2
275.05325	0.3
285.03961	1.9
286.04489	0.3
303.04971	100.0
304.05283	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	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01855	0.4
60.22763	0.2
65.03924	0.7
67.01865	0.6
67.05514	0.2
68.99779	2.3
69.03426	0.2
69.57377	1.1
69.57778	0.5
81.03387	1.0
91.05476	0.4
93.03394	0.5
93.07027	0.3
95.04959	1.0
97.02873	0.2
103.05425	0.3
105.07015	0.3
107.04952	0.3
109.02866	1.1
111.00795	2.2
115.05444	0.2
117.06953	0.5
121.02859	2.7
123.04417	0.7
127.03857	0.7
129.06960	0.2
131.04912	0.6
135.04387	0.5
137.02324	8.8
137.03372	0.5
145.06451	1.0
149.02327	0.9
149.05963	0.2
153.01814	11.9
155.04941	1.2
157.06410	0.4
159.04396	0.4
161.05975	0.7
163.03871	1.6
165.01819	4.3
166.02553	0.7
173.05949	1.7
177.01828	0.3
177.05450	0.3
178.81058	0.2
183.02882	1.8
183.04404	1.1
187.03906	1.2
191.03395	0.4
195.02811	0.7
201.05457	5.9
205.04994	0.6
219.02876	0.3
219.06483	0.6
228.04189	0.7
229.04938	10.3
230.05377	0.4
232.03720	0.3
233.56398	0.3
239.03375	0.4
245.04489	0.4
247.06035	1.4
257.04443	5.9
274.04642	1.5
285.03922	2.6
286.04269	0.4
303.04953	100.0
304.05264	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.01855	0.6
55.05490	0.4
56.05032	0.2
56.96546	0.4
57.03422	0.1
65.03929	0.5
67.01851	0.5
67.05498	1.0
68.99786	2.4
69.03419	0.5
69.07047	0.5
69.86439	0.2
70.06580	1.1
71.01334	0.2
71.04990	0.3
71.59609	0.2
72.08177	0.8
79.05489	0.8
81.03407	0.9
81.07040	0.6
83.04967	0.3
84.04491	0.2
84.08153	0.8
85.02887	0.5
86.09693	0.6
91.00584	0.2
91.05462	0.7
93.03402	0.8
93.07003	0.5
94.06551	0.3
95.04967	1.3
95.08589	0.6
96.04509	0.2
97.02852	0.2
97.06497	0.3
103.05472	0.3
105.03387	0.3
105.07025	0.5
107.04929	0.2
107.08558	0.4
109.02881	1.2
109.06533	0.3
109.10151	0.2
110.03686	0.2
110.07132	0.3
111.00793	2.0
111.04409	0.2
112.08707	0.2
115.05430	0.2
115.08657	0.2
116.98646	0.2
117.07001	0.6
119.04957	0.2
119.08564	0.3
120.08104	1.5
121.02862	2.3
121.06537	0.2
121.10072	0.2
122.06032	0.9
123.04413	0.9
123.08068	0.2
124.07593	0.5
126.12765	0.3
127.03917	1.0
128.06245	0.2
129.06999	0.3
129.10255	0.2
131.04921	0.6
131.08510	0.3
132.08076	0.2
133.06470	0.3
133.10100	0.3
134.06033	0.2
135.04399	0.6
136.07552	1.2
137.02333	8.7
137.03378	0.5
137.05891	0.4
138.05501	0.6
138.09140	0.6
139.05492	0.1
140.07065	0.2
143.08499	0.2
143.11786	0.2
144.13811	0.7
145.02817	0.3
145.06470	0.8
145.10118	0.5
147.04382	0.3
147.08043	0.2
149.02309	1.0
152.07077	0.3
153.01816	9.8
155.04910	1.1
155.05989	0.2
157.06496	0.2
157.10086	0.3
159.04375	0.4
161.05960	0.6
162.05447	0.5
163.03897	1.5
164.03381	0.2
164.07043	0.4
165.01828	4.0
166.02585	0.6
166.05045	0.3
170.09642	0.2
171.02916	0.4
171.04353	0.2
172.11224	0.2
173.05952	1.6
173.09592	0.2
174.05457	0.5
174.09164	0.2
177.01929	0.2
177.05544	0.3
177.10229	0.3
178.05011	0.2
179.03374	0.4
180.06485	0.3
182.08308	0.4
183.02882	1.8
183.04437	1.0
187.03827	0.9
187.12407	0.2
188.10695	0.3
189.09007	0.3
191.03424	0.5
195.02902	0.5
196.09953	0.2
198.09119	1.1
200.09283	0.2
201.05452	5.0
205.04938	0.5
207.02878	0.2
211.04002	0.2
212.10651	0.3
213.05457	0.3
214.10712	0.2
215.03455	0.2
215.11774	0.7
216.10162	0.6
219.02971	0.3
219.06459	0.6
226.08533	0.2
226.18163	0.2
228.04268	0.8
228.06375	0.2
228.08810	0.2
229.04947	9.1
230.05331	0.4
230.11765	0.2
232.03595	0.3
234.98907	0.2
239.03465	0.3
239.11821	0.2
243.11354	2.6
244.09724	0.2
245.04503	0.3
247.06032	1.1
257.04428	5.6
257.12650	0.8
258.04861	0.3
258.11209	0.9
260.12784	0.3
267.11212	0.3
274.04752	1.4
275.05331	0.5
285.03970	2.8
285.12317	5.2
286.04544	0.2
286.10739	0.6
303.04968	100.0
303.13086	6.7
304.05344	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70089	0.7
56.24992	0.7
56.96568	8.6
57.67683	0.6
58.45243	0.6
69.90051	2.1
69.90459	1.7
71.95257	1.4
88.32737	0.7
89.59735	0.7
98.97584	11.4
101.00837	1.5
116.98621	16.0
119.01918	16.4
120.02006	1.1
134.99657	18.2
135.99959	0.7
137.01926	1.2
137.02924	9.3
142.03481	3.5
153.00763	4.5
158.01314	1.0
160.04593	1.7
177.00949	38.1
178.01105	4.5
178.93443	0.9
179.00812	2.4
182.99908	1.9
192.98799	1.2
195.01981	1.3
201.00990	3.0
214.91986	1.2
214.95500	0.9
217.04094	2.3
218.03537	5.0
219.02003	100.0
220.02031	5.8
221.01869	6.6
222.01773	1.0
223.01567	1.1
225.01041	1.2
230.93228	0.8
232.93057	1.4
232.96576	2.2
234.99951	1.8
237.03000	1.3
238.46349	0.8
238.95576	2.2
242.03638	2.9
243.01935	3.4
255.95021	1.4
256.96649	37.2
257.96729	2.2
258.96451	1.4
259.00037	1.6
261.03040	80.4
261.97220	1.2
262.03183	19.4
263.02896	3.1
264.95502	1.5
265.45544	1.1
272.94559	2.1
274.94189	8.3
274.97662	21.8
275.97723	1.4
277.01074	3.6
279.00516	0.9
279.98233	14.8
284.04596	1.7
285.04721	1.5
288.95618	2.3
290.95743	2.0
292.95139	7.9
297.96228	1.6
297.99310	5.6
298.26746	0.9
298.97736	11.8
301.00894	1.2
302.27020	0.9
302.60599	1.3
303.00308	1.0
303.05283	2.5
309.96161	1.6
314.95767	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	303.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	1.8
70.06555	0.7
71.16541	0.9
71.16889	1.4
98.97578	5.1
108.07359	0.7
116.98611	5.4
119.01900	5.0
121.01692	0.6
129.10339	0.6
134.99638	6.0
137.02939	3.2
153.00726	1.3
155.86638	0.6
177.00929	14.0
178.00998	2.7
179.00679	2.6
182.73305	0.5
190.95432	0.9
193.04002	0.8
195.31285	0.6
217.04045	2.4
218.03680	2.2
219.01976	25.0
220.02054	6.4
221.01723	8.0
222.01863	1.6
223.01402	0.9
225.00854	1.7
234.99889	1.2
236.02753	0.6
236.99490	0.9
243.01927	5.8
243.03967	0.7
244.02107	1.6
261.03009	100.0
262.03125	24.7
263.02762	4.3
277.00876	1.4
278.01651	0.6
278.97528	0.9
279.00516	5.3
280.01083	0.7
284.04636	2.9
284.99658	2.0
285.04578	1.6
297.97940	1.6
301.01059	1.9
303.00879	3.4
303.05542	7.8
320.98221	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	302.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19552	0.6
55.05504	6.3
56.05027	1.0
56.96569	0.6
59.87677	0.6
64.60940	0.5
67.05507	0.8
69.03432	0.8
69.07061	0.9
70.06586	7.3
71.60276	0.8
72.08149	100.0
77.09354	0.6
81.03402	1.0
81.07086	0.8
84.04498	4.5
84.08123	4.9
85.02901	1.2
86.09699	42.6
91.05483	1.9
93.07023	1.0
95.04955	1.1
95.08621	0.8
97.02868	1.2
99.16183	0.7
100.07596	1.3
105.07015	0.8
110.07133	0.7
120.08117	1.4
121.10152	0.6
122.05993	0.7
129.10257	1.4
130.06538	1.8
130.08633	1.1
132.10205	7.6
143.11783	62.3
147.04451	0.8
152.07066	0.6
157.07643	1.0
157.13354	14.5
171.11272	23.7
171.12694	1.2
182.08051	1.3
185.12851	5.8
203.13960	2.7
210.05589	1.1
216.06499	0.9
231.17065	2.6
239.08127	8.8
256.06192	0.7
257.09198	10.5
285.08707	1.6
285.12418	0.8
302.12247	0.8
303.05032	2.5
303.09753	8.8
303.12982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1495
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
50.77338	0.5
53.40875	0.5
54.23632	0.6
55.01854	1.9
55.05491	0.8
57.03426	0.6
57.83308	0.6
67.05499	1.1
69.07059	1.0
69.62312	5.1
70.06586	38.4
72.08137	1.2
79.05486	0.8
81.07015	0.7
84.08121	1.3
85.02899	1.3
86.00628	1.3
86.09672	1.7
91.05492	1.2
95.04955	0.7
95.08555	0.7
98.21516	1.1
98.97567	0.9
104.59486	0.6
105.07018	1.0
114.05521	20.4
115.05453	4.0
116.07081	18.1
117.05766	3.5
117.07066	0.9
118.06504	1.4
122.06014	1.0
125.07105	5.6
130.06511	20.5
130.07480	1.1
132.08076	52.4
136.07594	0.8
142.06514	7.0
144.06992	1.1
144.08073	15.7
153.01811	1.3
159.09161	100.0
159.22208	0.6
160.07581	5.7
160.09537	1.1
170.05988	23.8
171.07686	3.7
172.07571	3.9
172.11658	0.6
180.10254	0.9
188.07072	1.0
201.05493	0.8
214.98534	0.8
229.05118	0.7
239.11899	0.9
243.11322	0.9
256.09863	2.3
257.04355	0.9
257.12830	4.1
285.12317	46.3
286.12650	1.3
302.10672	1.1
302.14835	3.9
303.04996	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	302.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
54.03456	1.8
55.01869	0.3
55.80730	0.2
56.05038	0.2
56.96564	1.3
57.03429	1.7
61.02920	2.1
69.03422	5.2
69.07059	0.7
70.06589	2.3
70.96049	0.6
71.01345	0.4
71.04980	0.8
72.08138	0.6
73.02912	1.8
81.03501	1.8
81.04531	52.1
82.04810	0.3
83.01327	0.3
83.06097	0.5
84.04487	0.5
84.08141	1.4
85.02895	6.5
86.09676	0.5
87.04456	1.0
89.00294	0.2
91.03939	0.5
93.04530	0.3
94.06547	0.6
95.06075	0.9
97.02884	2.7
98.97577	0.9
99.04443	0.7
101.02370	0.2
102.05469	0.2
107.06091	0.5
107.81934	0.2
109.02855	0.8
110.06062	0.3
110.07144	4.0
111.05570	0.3
112.99122	0.4
116.07095	0.3
116.98611	0.3
119.01877	0.3
122.06066	3.0
122.07135	33.3
124.07604	0.3
124.08706	0.9
127.03918	0.9
127.08596	0.2
131.00172	0.5
131.97498	0.2
133.03430	0.5
134.05957	0.5
134.07001	0.3
136.07558	0.4
138.09102	0.2
139.05023	1.3
140.03387	0.9
140.07115	6.0
140.08163	100.0
141.03729	0.7
141.06464	0.2
141.08568	1.2
145.04918	0.6
152.07074	0.4
155.08124	0.3
156.07642	0.4
161.02968	0.3
163.04373	0.4
169.04367	0.3
178.04929	1.5
179.11794	1.8
182.09312	0.3
203.07648	0.4
206.12866	0.3
212.10413	0.3
221.05054	0.3
222.07547	0.3
224.13866	0.6
252.13402	0.7
255.58067	0.2
256.16580	0.4
259.24225	0.2
270.14508	1.2
279.09235	0.4
284.12064	0.4
284.15878	0.3
302.13440	89.5
303.10141	0.7
303.13745	2.2
305.10718	0.2
321.10388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29473	0.5
52.00764	0.6
53.03934	0.9
54.03450	1.7
55.01869	3.4
56.21640	0.6
56.96558	4.9
57.03431	8.2
57.30109	0.6
59.04991	1.2
60.04508	0.9
61.02921	10.5
69.03078	1.1
69.03425	18.3
69.07074	0.6
70.04194	1.4
70.04597	1.9
70.06581	7.8
70.72036	0.5
71.01333	1.1
71.04972	1.6
72.08145	4.7
72.89105	0.8
73.02907	9.3
75.64101	0.6
81.03419	5.0
81.04533	42.3
81.07045	0.6
82.06544	2.0
82.99164	0.7
83.05017	0.7
84.04483	1.2
84.08150	4.2
85.02898	31.1
86.03215	0.8
86.06072	0.7
86.09679	1.6
87.04443	2.3
91.03936	1.9
95.06074	1.2
97.02291	1.1
97.02888	11.0
98.97583	4.7
99.04430	2.6
101.00856	2.2
101.02372	1.3
102.05483	0.7
103.02439	1.4
104.10776	0.7
109.02863	2.3
110.01329	0.6
110.07148	3.4
111.02866	0.7
115.02431	0.9
115.03922	0.8
116.07074	2.9
116.98637	3.5
118.01135	0.8
119.01887	13.3
120.02054	1.1
121.03432	1.0
122.07140	28.9
124.07607	0.8
127.03920	12.2
127.08676	1.3
128.02315	2.9
128.98608	1.4
129.10214	1.3
131.00201	1.0
131.01886	4.6
132.01955	0.8
133.03445	5.7
134.05966	3.1
134.99646	2.4
135.01282	0.7
135.03082	0.9
137.02876	3.5
140.05003	2.5
140.08173	100.0
141.03893	0.7
141.08586	0.9
143.01862	2.8
145.03468	2.1
145.04921	4.6
146.99640	1.5
147.05009	0.8
149.01198	0.9
149.02945	2.4
151.04483	1.4
152.07063	5.9
153.07686	1.8
155.01862	1.5
156.05136	0.8
157.03455	1.1
158.06636	0.7
158.99686	1.2
159.05067	3.1
160.02907	0.6
161.01180	1.3
161.02914	5.0
162.03076	0.8
163.04573	0.9
164.06989	1.4
167.03983	0.8
168.99818	1.1
171.01358	0.9
171.05009	1.4
173.01445	1.0
173.02911	4.5
173.12927	0.7
174.04445	1.2
174.99210	0.8
175.03267	0.8
175.04605	1.5
176.04265	1.3
176.07692	1.1
177.00772	2.9
177.02365	1.7
177.06139	2.2
178.01048	3.0
179.00734	1.5
181.09708	0.8
182.03299	0.8
183.02313	1.9
183.05023	2.1
183.99997	0.8
184.04205	0.8
184.97591	1.0
185.02968	2.3
185.09308	0.8
187.00867	2.8
187.04492	1.2
188.97159	0.9
189.00694	1.9
189.02443	3.4
189.04099	0.8
189.06059	1.5
190.98685	1.1
191.00432	0.9
191.02321	0.9
191.03862	3.5
192.02831	1.9
193.00136	1.6
196.04063	2.1
196.99316	0.9
199.00870	1.3
200.04379	2.3
200.07726	2.0
201.00822	1.4
201.02423	1.1
201.06049	3.5
202.01028	3.7
202.09210	0.8
202.98828	0.9
203.00720	1.6
203.04004	1.8
204.02803	2.2
205.00220	1.1
205.04277	1.4
207.01802	1.4
212.05251	2.3
212.07187	3.4
212.57361	0.7
213.03462	3.0
213.05983	1.6
215.00340	4.5
217.01981	1.2
219.01810	4.2
219.03760	0.8
219.07072	0.8
220.02084	12.8
220.99777	1.2
221.01648	4.4
221.04887	3.3
222.03917	2.3
228.10754	1.0
229.01915	1.1
230.04070	0.8
231.03629	2.4
237.02786	1.0
242.04169	3.0
243.03787	1.5
245.04999	1.3
247.03038	3.8
248.03195	1.1
249.04646	1.3
256.16580	0.9
259.02954	1.2
260.05255	9.1
261.05118	3.7
261.08304	2.6
270.14383	0.8
273.08908	3.2
275.09705	1.5
278.06314	8.0
279.06143	3.1
279.09274	5.6
281.01935	0.9
285.09024	1.3
289.04062	3.8
290.04349	0.9
302.13495	78.0
303.05719	1.1
303.10239	3.5
303.13757	1.6
321.10303	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01867	2.1
55.05507	3.6
56.05029	2.7
56.09834	1.2
56.96565	2.4
57.03431	4.4
61.02927	4.5
62.31119	1.2
64.33344	1.4
67.05504	10.7
69.03426	13.9
69.07054	7.2
69.82751	6.4
70.02934	1.6
70.06589	25.1
71.04976	2.1
72.08150	21.6
72.93773	1.3
73.02924	2.4
73.08459	1.2
74.06050	1.5
78.46165	1.6
79.05484	6.4
80.05029	1.2
81.03411	9.3
81.07065	5.1
83.05003	2.8
83.08613	1.2
84.04497	13.6
84.08140	15.8
85.02898	68.9
85.08460	2.3
86.09698	100.0
87.04484	1.8
87.10037	2.3
88.03985	1.8
91.05487	4.1
94.06573	2.2
95.04974	5.5
95.08616	1.8
96.04468	2.1
97.02882	33.1
97.06523	2.5
98.02410	1.2
98.21473	2.4
98.97598	2.0
99.04482	4.3
100.07648	1.6
102.05544	1.9
103.03955	4.4
107.04958	2.0
108.08109	11.5
109.02870	10.2
109.06493	2.5
110.06037	2.8
112.07603	2.5
112.08719	1.4
114.05603	1.4
114.09145	3.7
116.07082	3.2
116.98602	3.4
118.08657	4.0
119.04945	1.5
120.08104	3.2
121.02895	1.5
122.06031	7.8
123.04428	2.5
124.07619	2.4
125.05990	5.7
126.05513	5.4
126.09135	4.8
127.03924	13.3
128.98642	1.3
129.10219	8.7
130.06520	4.8
134.99690	2.1
136.07552	17.3
137.05962	2.2
138.05457	1.4
138.09140	1.9
140.07054	35.1
140.07921	1.3
144.06557	10.2
145.04897	7.0
146.10434	1.4
147.04413	1.9
149.06018	2.0
150.09132	4.6
152.07047	15.8
153.01907	1.8
154.08566	6.4
157.07623	2.7
157.13364	30.6
161.01131	1.4
161.09215	7.5
164.07039	19.9
166.08638	1.7
177.00684	2.3
178.08621	13.4
182.08116	65.2
183.08315	2.0
185.12866	13.5
185.16438	1.9
187.07452	1.4
189.12363	5.7
199.18018	8.7
206.08112	27.2
218.08127	3.9
222.08334	1.9
227.17497	1.5
234.98979	1.6
236.09221	3.1
239.06920	3.0
239.11769	2.0
243.06451	1.6
248.09155	5.7
256.09656	5.7
285.07321	1.8
285.12372	1.7
302.12210	2.0
302.15115	2.5
303.04947	12.8
303.07986	2.0
303.13760	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	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
53.95369	1.1
55.05517	7.4
56.05023	2.7
56.96569	2.3
57.03432	3.3
61.02918	2.5
67.05501	6.0
69.03434	7.7
69.07047	1.6
69.35878	8.6
69.36292	4.4
70.06593	13.8
71.04967	2.3
72.08153	100.0
73.02908	1.4
74.27931	1.1
79.05489	4.5
81.03419	6.9
81.07052	5.8
82.06534	1.3
83.04967	1.8
83.79221	1.4
84.04484	1.5
84.08135	10.4
85.02900	40.9
86.09703	37.2
91.03917	1.8
91.05469	5.2
95.04970	2.9
97.02900	20.0
97.06555	1.7
97.10067	1.3
98.06015	1.3
100.07564	1.7
103.03944	2.3
105.06956	1.5
108.08124	8.7
109.02921	6.4
110.07143	2.6
112.07602	2.0
116.98582	2.2
120.08101	2.0
121.10099	1.4
122.06023	5.8
125.05972	3.9
126.05573	3.1
126.09111	1.7
126.59916	1.4
127.03896	9.3
129.10252	3.1
129.89140	1.3
130.06496	2.3
132.10204	9.1
136.07588	10.5
137.02260	3.0
140.07068	16.5
142.95413	1.3
143.11794	43.7
143.12917	2.3
145.04955	4.9
147.04387	2.4
150.09131	4.0
152.07043	8.5
153.01822	3.3
153.40616	1.2
154.08655	2.3
157.13335	8.8
159.09196	1.5
164.07065	9.0
171.11287	23.2
173.05884	1.4
178.08633	5.4
182.08121	39.7
182.15581	1.4
185.12822	2.3
201.05434	1.9
203.13918	6.5
206.08099	18.7
218.08249	1.6
229.04971	3.7
231.16927	2.1
248.09245	4.3
256.09631	3.0
257.04495	1.4
285.12189	1.4
294.05988	1.3
302.04202	1.6
302.12192	1.9
303.04968	35.9
303.09888	1.4
305.46182	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	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
54.84074	0.7
55.01867	10.8
55.05510	4.9
56.05015	0.9
56.96564	5.2
57.03427	0.7
57.07074	0.8
59.47875	0.7
62.06078	1.6
65.03940	0.8
67.05502	4.1
68.05027	1.5
68.99780	3.2
69.03423	1.1
69.07057	5.6
69.37181	0.6
70.06584	2.9
71.04964	0.8
72.08150	8.5
73.02911	13.8
77.48193	0.6
79.05484	5.2
81.03409	1.1
81.07050	14.6
82.06588	3.5
82.07409	1.1
83.04971	2.1
83.07360	3.0
83.08602	1.3
84.04474	1.1
84.08144	0.9
85.02885	1.2
86.06059	7.3
87.00823	8.3
87.04461	72.0
88.03963	1.3
89.02386	100.0
91.05478	4.1
93.07043	4.0
93.07568	0.7
94.06569	0.8
95.04967	2.7
95.08599	2.9
96.08125	7.4
97.06528	4.7
97.08888	3.7
98.06052	1.4
98.09684	33.5
98.20718	1.6
98.97530	0.7
101.02375	22.4
104.07191	0.6
105.07040	1.0
106.07333	1.0
107.04989	1.1
107.08583	3.2
107.17580	0.6
108.08109	2.8
108.08765	0.7
109.06503	16.0
109.10162	1.9
110.06033	2.5
110.09683	2.4
110.10390	0.7
111.04445	1.2
111.08071	8.4
113.02366	5.1
116.10722	11.1
116.98582	0.8
117.07044	0.8
119.03394	1.1
119.04956	1.6
119.08565	1.5
120.08084	1.5
120.08860	0.8
121.08916	3.3
121.10142	0.7
122.09647	0.8
122.10512	0.8
124.07565	5.0
124.11242	3.1
126.05511	1.2
126.09142	2.0
131.03389	77.2
131.08498	0.6
132.03708	0.7
133.06511	0.8
133.10120	1.4
134.09648	7.0
135.08070	2.3
136.07570	3.0
137.02354	3.0
137.05965	7.6
137.08380	1.6
137.09610	1.4
138.09146	2.0
139.07520	0.8
142.08612	0.7
145.10136	0.8
151.09920	1.5
152.10692	22.2
153.01852	4.0
154.08618	14.0
155.07028	2.9
158.11797	3.0
160.12007	0.9
162.09158	2.1
163.03828	0.9
165.01822	1.7
170.11719	2.3
172.09702	1.8
174.13687	0.9
180.10179	20.0
183.02922	1.0
184.09726	1.7
198.11246	36.2
199.11816	0.9
199.30930	0.8
201.05566	1.3
202.10722	17.9
211.06361	0.8
212.12849	2.4
215.06514	1.3
216.12302	19.1
224.07063	1.1
229.05008	3.5
237.00684	0.9
238.10777	1.0
240.12271	25.2
241.12434	0.8
243.11333	0.8
245.04663	0.7
256.11786	9.5
257.04459	1.6
258.13397	6.4
266.10269	2.5
284.11258	95.5
285.11740	3.2
302.04187	3.0
302.12329	99.6
302.21628	4.0
303.04971	30.5
303.12509	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	301.2161
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
51.57675	2.3
53.03926	3.5
55.01855	8.2
55.05503	24.7
56.96559	16.4
57.03439	13.8
57.07071	3.4
59.04972	3.7
60.50436	2.6
65.03923	6.0
67.05164	4.9
67.05499	56.6
68.99783	2.9
69.03434	16.8
69.07059	27.5
69.46117	24.4
71.04641	3.5
71.04991	40.1
72.08143	6.6
79.05483	45.4
81.03411	6.3
81.07053	67.7
83.04984	16.9
83.08602	8.6
85.02912	6.2
85.06541	6.6
89.03902	3.1
91.05472	49.7
91.06012	5.0
93.07037	64.0
95.04978	20.1
95.08601	41.5
97.02889	9.8
97.06508	30.5
97.10164	9.7
98.21487	3.6
98.97592	3.1
99.08057	4.5
105.07025	83.5
107.04915	9.5
107.08587	59.9
109.06527	15.2
109.10150	40.0
111.04408	7.3
111.08090	13.6
115.05413	5.3
116.98583	8.4
117.07025	18.1
119.08573	49.3
121.06498	17.3
121.10135	40.4
121.36987	2.3
123.04401	3.4
123.08040	13.0
123.11689	8.2
125.09649	12.6
127.11171	6.3
129.06987	8.8
130.07802	4.7
131.08545	31.5
133.06493	7.4
133.09108	4.4
133.10120	78.4
134.99641	6.0
135.08046	15.1
135.11676	27.0
136.07520	4.9
137.06015	3.0
137.09624	16.9
142.07762	4.0
143.08549	14.1
144.09279	3.2
145.06331	2.6
145.10103	51.8
147.08037	7.7
147.11714	20.8
149.01208	5.9
149.09601	12.3
149.13223	5.6
150.09140	7.0
151.11124	3.4
153.00650	3.3
153.01855	4.3
153.06969	8.0
154.07687	3.1
155.08560	6.6
156.09267	6.9
157.10133	22.7
158.10852	3.4
158.99641	3.5
159.08025	7.6
159.11696	26.1
161.01189	4.7
161.05940	3.6
161.09605	23.3
161.13243	8.8
163.03899	3.1
163.11188	53.1
165.07011	5.5
165.09126	4.6
165.12764	2.5
166.98399	2.6
167.02243	3.0
169.10179	9.0
171.11697	13.1
173.09593	10.6
173.13235	19.6
175.11212	8.0
175.14783	6.4
177.00732	5.2
177.12624	3.3
179.10609	4.5
181.06496	9.8
181.10144	3.9
182.11002	2.8
183.11665	4.1
185.01306	3.2
185.09563	4.9
185.13263	9.4
187.11157	8.8
187.14812	19.7
189.05486	5.3
189.12825	3.3
191.10590	3.9
191.14302	24.2
197.13229	12.8
199.12462	4.1
199.14752	6.9
200.04498	3.1
201.12639	4.3
201.16368	17.8
203.14320	7.5
209.11581	4.6
210.09019	5.2
211.14748	6.0
212.09383	8.7
213.12691	3.1
213.16312	10.3
215.06856	3.9
215.14354	16.2
217.04929	12.1
217.15921	17.5
219.21230	3.2
223.14943	3.7
226.06276	3.5
227.11937	14.8
227.14211	4.0
229.15915	4.9
231.17345	7.0
240.08824	6.2
241.08754	5.9
241.15764	2.8
243.17421	8.3
245.04462	9.9
252.10210	2.8
255.11264	61.8
255.21060	7.5
256.11749	4.6
257.12653	4.2
259.09625	8.8
273.03946	10.9
273.08102	4.9
283.10718	8.1
283.20514	22.5
283.23343	3.8
285.04858	2.7
301.03519	31.5
301.06931	4.1
301.11197	33.7
301.16525	7.0
301.21597	100.0
301.25018	6.5
302.04080	5.7
302.11667	3.5
302.21948	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	301.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	18.5
57.07083	17.3
67.05507	28.1
68.03303	3.8
69.03414	9.8
69.07071	20.7
69.88618	6.6
69.89036	13.0
70.06590	10.1
79.05495	22.4
81.07068	34.1
83.04992	4.2
83.08597	8.0
85.06598	3.8
88.07625	16.8
91.05473	34.7
93.07049	27.6
95.04971	20.5
95.08606	24.9
97.06532	6.5
98.21472	7.1
105.07024	42.1
106.08642	9.0
107.04949	6.2
107.08594	41.9
109.06507	27.7
109.10163	33.4
111.08101	7.0
116.98583	4.4
117.07018	12.1
119.08569	49.4
121.06494	13.5
121.10158	31.4
123.08099	6.0
123.11688	4.0
125.09674	6.1
128.06197	5.1
129.06984	8.9
131.08565	55.8
133.10147	38.5
135.08038	25.1
135.11664	9.9
142.07793	7.1
143.08575	23.2
144.09309	5.1
145.10117	48.2
147.08034	5.2
147.11687	9.9
149.13243	7.2
155.08533	4.9
156.09372	7.0
157.10123	15.6
158.10922	16.9
159.08009	6.4
159.11670	17.4
161.09619	53.7
161.13229	5.2
169.10016	5.7
171.11751	7.6
173.09666	3.6
173.13255	100.0
175.11171	5.1
175.14824	16.4
179.08481	6.1
183.11667	8.8
185.09512	4.4
185.13274	9.4
187.14813	5.9
191.14301	21.6
195.11583	7.2
197.13243	4.5
199.14815	11.7
201.12706	5.5
201.16379	4.4
209.13312	10.9
213.16389	5.1
223.14734	5.8
227.14369	7.3
229.07513	7.5
247.08591	5.6
265.19543	12.6
283.20560	20.1
283.28232	6.9
284.29510	5.1
301.07089	7.2
301.16934	3.6
301.18066	4.5
301.21613	36.3
301.29150	4.3
302.30505	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	20,14-retro-retinoic acid
Peak:m/z	Relative Intensity
55.05511	18.5
57.07083	17.3
67.05507	28.1
68.03303	3.8
69.03414	9.8
69.07071	20.7
69.88618	6.6
69.89036	13.0
70.06590	10.1
79.05495	22.4
81.07068	34.1
83.04992	4.2
83.08597	8.0
85.06598	3.8
88.07625	16.8
91.05473	34.7
93.07049	27.6
95.04971	20.5
95.08606	24.9
97.06532	6.5
98.21472	7.1
105.07024	42.1
106.08642	9.0
107.04949	6.2
107.08594	41.9
109.06507	27.7
109.10163	33.4
111.08101	7.0
116.98583	4.4
117.07018	12.1
119.08569	49.4
121.06494	13.5
121.10158	31.4
123.08099	6.0
123.11688	4.0
125.09674	6.1
128.06197	5.1
129.06984	8.9
131.08565	55.8
133.10147	38.5
135.08038	25.1
135.11664	9.9
142.07793	7.1
143.08575	23.2
144.09309	5.1
145.10117	48.2
147.08034	5.2
147.11687	9.9
149.13243	7.2
155.08533	4.9
156.09372	7.0
157.10123	15.6
158.10922	16.9
159.08009	6.4
159.11670	17.4
161.09619	53.7
161.13229	5.2
169.10016	5.7
171.11751	7.6
173.09666	3.6
173.13255	100.0
175.11171	5.1
175.14824	16.4
179.08481	6.1
183.11667	8.8
185.09512	4.4
185.13274	9.4
187.14813	5.9
191.14301	21.6
195.11583	7.2
197.13243	4.5
199.14815	11.7
201.12706	5.5
201.16379	4.4
209.13312	10.9
213.16389	5.1
223.14734	5.8
227.14369	7.3
229.07513	7.5
247.08591	5.6
265.19543	12.6
283.20560	20.1
283.28232	6.9
284.29510	5.1
301.07089	7.2
301.16934	3.6
301.18066	4.5
301.21613	36.3
301.29150	4.3
302.30505	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11758	0.7
53.03936	1.0
55.05504	4.1
57.07070	8.3
62.06039	0.8
66.46774	0.8
67.05496	7.0
69.03410	3.3
69.07051	4.2
69.32082	7.9
70.06584	11.8
71.04974	2.8
71.08609	3.8
78.19164	0.8
79.05488	5.8
81.07050	7.4
83.04977	1.6
83.08595	2.2
85.10143	1.0
88.07632	13.8
91.05470	24.7
93.07038	8.7
95.04949	5.0
95.08588	8.2
97.06509	2.6
102.09148	4.4
105.07016	13.9
106.08653	9.0
107.08584	10.2
109.06516	8.2
109.10146	7.7
111.08061	1.8
115.05441	1.1
117.07030	5.2
119.08573	14.1
121.06483	2.9
121.10143	8.6
123.08043	1.3
123.11662	1.8
127.39536	0.9
128.06186	2.2
129.06992	2.6
130.07745	1.5
131.08562	14.5
133.10114	11.5
135.08026	7.0
135.11667	2.9
137.09575	1.0
142.07747	1.9
143.08514	5.1
144.09299	2.4
145.10109	16.6
146.07240	2.2
147.07994	1.4
147.11633	4.4
149.09604	1.6
149.13251	2.6
156.09264	1.9
157.10078	4.1
158.10878	3.5
159.08043	2.5
159.11670	3.2
161.09599	16.7
161.13306	0.9
163.11150	1.6
167.08553	1.2
171.11667	4.0
173.09615	1.7
173.13248	25.6
175.14828	3.5
179.08591	1.5
181.10074	1.0
183.11650	2.4
185.09421	1.1
185.13240	2.6
187.14822	1.9
189.12727	2.3
191.14308	7.4
193.10017	0.9
194.11005	1.6
199.14835	3.3
201.12746	1.9
201.16422	1.6
209.13277	2.5
223.14813	2.1
225.16255	1.2
227.14233	2.0
229.07442	1.0
237.16278	0.9
265.19522	2.0
283.20453	4.5
284.29388	6.0
301.18198	1.4
301.21594	9.8
301.29272	2.0
302.30508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57595	3.5
53.03934	4.1
55.01868	9.3
55.05503	35.3
56.45605	3.7
57.03185	4.0
57.03437	46.7
57.07056	3.7
67.05501	77.0
68.70646	3.4
69.03413	5.9
69.07079	17.4
69.29556	4.7
69.29887	40.6
69.71877	3.3
69.72259	3.4
71.01349	4.1
71.04983	11.1
79.05053	5.0
79.05487	54.9
81.03415	11.6
81.07052	72.0
83.04974	15.7
83.08611	12.8
85.02892	10.3
85.06532	6.8
91.05476	48.5
93.07039	50.5
95.04962	16.3
95.08588	22.1
97.02915	17.6
97.06526	12.0
97.10156	10.4
99.04479	3.9
105.07015	28.0
107.04948	12.2
107.08583	31.4
108.65231	3.8
109.06520	8.8
109.10147	31.3
111.04454	16.2
111.08083	4.6
117.07023	9.9
119.08553	18.5
121.06485	5.9
121.10138	34.3
123.08092	6.6
123.11690	5.2
125.09618	9.7
129.06992	5.3
131.08574	13.2
133.10138	13.2
135.08072	5.2
135.11673	17.4
139.11150	7.8
145.10117	21.5
147.08075	6.4
149.09616	8.4
151.11235	6.9
153.12677	3.7
163.11172	16.3
167.10701	5.0
168.57954	3.4
173.09642	9.9
173.11766	10.7
177.96185	3.4
181.12207	11.8
188.92448	18.0
191.10654	12.4
209.11674	25.0
226.93927	8.2
227.12747	10.7
229.07379	6.1
244.95085	8.3
245.13908	6.9
264.58643	3.9
268.33231	3.9
283.15271	7.5
301.07077	10.9
301.16431	100.0
301.21616	7.8
301.25272	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	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42111	0.6
53.03936	1.8
55.01865	1.4
55.05506	15.0
56.96556	2.7
57.03424	2.5
59.04992	1.0
65.03934	2.0
67.05500	28.8
68.99787	4.6
69.03426	2.3
69.07053	4.3
69.29568	0.6
70.04077	3.4
70.06599	3.3
70.17513	2.0
71.04984	8.9
72.08143	3.4
73.06545	1.4
74.02424	4.7
74.54144	0.7
79.05492	5.1
81.03413	2.0
81.07048	14.5
82.04065	2.3
83.04977	41.8
83.08605	0.6
84.08150	1.2
85.02908	1.8
85.06601	0.8
86.09704	1.6
90.70125	0.6
90.94832	0.8
91.05466	5.9
93.03400	0.7
93.07039	7.8
95.04964	6.8
95.08595	9.6
95.09169	1.0
97.02869	0.8
97.06522	2.1
97.10140	0.8
98.97595	1.0
99.04448	1.0
99.08099	1.0
101.03487	2.2
101.06008	18.6
105.03439	0.9
105.07014	5.5
107.04944	1.3
107.08582	6.2
109.02866	1.5
109.06526	3.7
109.10147	51.1
110.03538	1.8
110.10467	0.8
111.04333	0.8
111.08064	0.9
115.05434	1.5
117.07021	1.8
119.08581	6.7
121.02888	1.3
121.06494	2.4
121.10133	3.1
123.08031	0.6
125.05999	1.1
125.09589	1.1
128.04553	12.4
128.98393	0.7
129.05487	0.9
129.06940	0.8
131.08566	2.0
133.06500	2.4
133.10129	1.9
135.07983	0.9
135.11673	2.4
137.02385	0.7
137.09605	100.0
138.09961	0.8
139.07567	0.9
142.07845	1.0
143.08583	1.6
145.10152	3.2
147.04404	1.4
147.08072	1.0
149.06012	1.2
149.09619	1.1
151.07574	0.7
153.01831	1.6
154.15886	1.9
155.10652	5.5
157.10088	2.3
159.11678	2.9
161.05981	2.7
161.09581	1.0
163.11130	1.3
165.09100	65.5
171.04416	1.8
171.11612	1.3
175.03929	1.0
175.11206	0.9
177.05426	1.1
183.10176	5.0
185.13167	1.2
189.05475	4.6
197.13107	0.8
199.03911	0.8
199.14824	0.9
201.11234	5.3
203.03333	1.5
217.04959	19.4
238.21194	0.6
241.09554	0.9
245.04448	17.8
246.04855	1.4
255.04010	1.3
255.11273	3.6
273.03931	19.6
274.04285	2.2
283.10791	1.2
283.15359	6.3
283.20566	1.7
284.22324	1.1
301.03406	39.1
301.10480	3.2
301.15994	2.3
301.21506	6.4
302.00891	1.8
302.03931	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	301.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01873	10.9
55.05507	42.5
56.32579	2.8
56.96558	6.3
57.03433	29.2
57.07079	3.5
59.04990	4.2
65.03929	3.7
67.05498	100.0
69.03436	4.0
69.07057	16.5
69.38098	25.6
71.01349	4.3
71.04982	7.3
75.42640	2.4
76.42687	3.5
79.05489	51.6
81.03408	9.1
81.07056	45.9
83.04985	20.6
83.08619	9.9
85.02905	11.1
85.06543	5.2
91.05473	27.1
93.07032	46.5
95.04969	12.2
95.08607	21.1
97.02872	2.7
97.06522	14.1
97.10161	14.9
99.04447	6.3
103.03905	3.0
105.07012	14.0
106.15020	2.5
107.04958	26.3
107.08573	27.4
108.04932	2.6
109.06542	3.9
109.10149	51.7
111.04433	18.3
111.08080	6.3
117.06996	15.0
119.08548	12.5
121.06531	3.9
121.10125	30.8
123.08076	4.2
125.05989	4.1
125.09614	14.0
129.07001	5.9
131.04886	3.6
131.08574	7.2
133.10153	3.3
135.07976	2.6
135.11664	22.5
137.09570	3.1
139.11177	5.4
139.34198	2.5
145.06445	3.5
145.10109	33.4
147.08055	3.1
149.09596	6.9
153.12740	8.9
155.08528	4.4
163.11176	40.0
173.09599	22.8
173.11719	8.0
181.12267	12.0
188.92485	11.7
191.10655	17.1
199.13048	3.4
203.16252	4.2
209.11707	8.3
214.94072	4.9
226.93875	3.0
227.12823	12.8
227.24031	2.6
244.95120	9.9
257.13901	16.7
283.15161	4.1
297.06396	3.3
301.07037	6.3
301.16641	42.4
301.21527	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	301.118
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
53.03916	0.6
55.01852	0.6
55.05503	1.9
56.96566	2.2
57.03417	1.0
57.84409	0.4
59.04979	0.8
63.86072	0.4
65.03924	1.6
67.05505	3.6
68.99782	0.4
69.07043	1.5
70.06309	1.3
71.04990	0.8
73.65827	0.4
78.12202	0.4
79.05502	2.3
81.03389	1.7
81.07054	3.0
83.04941	1.4
83.08616	0.9
85.02876	0.7
85.06507	0.7
91.05477	2.5
92.05005	1.9
93.03390	0.4
93.07047	2.4
94.06511	0.9
95.04971	2.3
95.08598	1.9
97.06541	2.2
97.07030	0.5
97.10139	0.9
98.21419	0.4
105.07022	1.8
106.06516	0.4
107.08590	2.0
108.08128	0.6
108.70516	0.4
109.02838	0.4
109.06493	0.8
109.10110	1.4
111.04430	1.1
111.08071	0.6
115.05493	0.5
116.98652	0.4
117.05727	0.5
117.06998	0.9
119.08581	2.6
120.04443	1.4
121.10100	1.7
122.05988	1.0
125.09605	0.8
128.06204	0.6
129.06944	0.6
130.06488	0.7
131.00021	0.4
131.08514	1.4
133.06468	0.5
133.10095	1.3
134.05971	0.5
134.99652	0.5
135.11668	0.8
136.07588	2.4
141.06981	0.8
142.07768	0.5
143.08521	0.9
144.08058	1.1
145.10120	1.5
147.11641	1.0
148.03896	0.7
149.01202	0.5
149.13326	0.4
152.06131	0.5
153.07011	0.5
154.06519	0.7
155.07274	0.5
155.08501	1.0
156.08105	0.6
157.10103	0.9
158.05881	0.4
159.09186	0.6
159.11688	0.8
161.07118	0.7
161.09592	0.6
162.05463	1.3
163.11162	0.9
165.06952	1.1
167.07272	1.9
167.08560	0.7
168.08060	1.7
169.07591	0.6
169.08855	1.0
169.10100	0.7
170.05974	0.5
170.08293	0.8
170.09650	0.7
171.09160	0.6
171.11674	0.6
173.07068	0.9
173.08374	0.6
173.13225	0.8
174.09114	0.6
175.11147	0.8
182.09607	2.1
183.09171	2.6
184.07610	0.6
184.09888	2.8
184.11256	1.2
185.07120	0.5
185.10703	0.5
187.08699	2.0
189.05580	0.4
192.08102	0.4
193.12202	0.9
196.07515	1.0
197.06967	3.2
197.08623	0.7
197.10785	0.4
198.07733	2.1
198.09431	0.6
199.08574	1.2
199.12315	6.9
199.14287	0.5
199.14885	0.5
200.10789	0.7
201.16373	0.5
209.10590	0.9
210.09148	5.6
211.08589	4.6
212.09213	8.4
212.11055	0.8
213.10173	2.1
213.16394	0.6
217.07550	0.7
225.06592	1.8
225.10275	0.9
226.07304	1.1
226.10999	0.5
227.08110	0.9
227.11784	26.7
227.29269	0.5
229.07455	1.2
237.10210	1.8
238.08617	1.4
239.08046	1.9
240.08897	10.6
241.07463	0.8
241.09708	5.5
242.10321	1.0
245.04637	0.9
247.08542	0.7
254.10794	0.7
255.11269	100.0
256.11691	1.5
257.12891	2.5
259.08533	1.6
267.09119	1.0
273.03918	0.9
277.09415	0.5
283.08011	0.5
283.10748	13.6
283.13501	0.6
283.20493	0.8
284.11453	1.0
285.10104	1.8
292.19962	0.5
301.03482	1.5
301.06787	0.8
301.11801	18.7
301.21445	2.5
302.04218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1182
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
53.03906	0.3
55.05492	0.5
56.96542	0.3
65.03941	2.1
67.05502	1.7
69.07041	0.5
70.22073	0.9
71.04947	0.6
79.05460	0.9
79.05844	0.2
81.07034	1.2
82.02930	0.3
82.06566	0.3
83.04952	0.3
91.05481	1.3
92.05005	2.5
93.03391	0.2
93.07043	1.4
94.06532	0.6
95.04932	0.9
95.08570	0.7
97.06495	0.3
104.04906	0.2
105.07031	1.6
106.06548	0.6
107.08585	1.3
108.08101	0.5
109.06504	0.2
109.10107	0.4
110.05993	0.4
115.05446	0.5
117.07015	0.3
118.06522	0.5
119.08574	0.8
120.04458	2.4
121.06504	0.2
121.10109	0.8
122.06023	1.3
123.11704	0.3
128.06181	0.4
129.06963	0.6
131.08549	0.8
133.10155	1.5
134.05998	0.5
135.11635	0.5
136.07568	2.7
141.06909	0.5
142.06535	0.4
142.07735	0.5
143.07336	0.3
143.08522	0.7
144.08054	1.0
144.09079	0.2
145.07648	0.2
145.08875	0.5
145.10115	1.2
146.05994	0.5
147.11655	0.4
148.03897	0.8
152.06165	0.6
153.06982	0.3
154.06502	0.7
154.07677	0.4
155.07286	0.4
155.08527	0.5
156.08012	0.6
157.08926	0.3
157.10152	0.6
158.09613	0.4
159.08000	0.3
159.09183	0.7
159.11664	0.7
160.07558	0.5
161.07095	0.4
161.09616	0.4
162.05519	1.3
163.11165	1.3
165.06941	0.8
167.07275	2.1
167.08575	0.7
168.08160	1.2
169.07594	0.6
169.08844	1.8
169.10114	0.4
170.06050	0.5
170.08362	1.5
170.09651	0.8
171.09154	0.7
171.10458	0.3
172.07536	0.4
172.11174	0.4
173.07101	0.6
173.08386	0.4
173.13246	0.5
180.08093	0.4
181.08878	0.5
182.06032	0.6
182.09616	3.0
183.09169	2.9
183.10567	0.2
184.07558	0.7
184.09854	3.3
184.11287	1.5
185.07036	0.6
185.10677	1.0
186.09203	0.5
186.11450	0.5
187.08667	2.5
189.10149	0.5
191.14268	0.6
192.07988	0.4
193.07547	0.3
194.09744	0.4
195.06747	0.3
196.07547	0.5
197.06860	2.3
197.08438	1.0
197.10759	0.6
198.07700	2.0
198.09225	0.8
198.11581	0.3
199.08586	1.6
199.12292	7.9
200.10785	1.2
209.10722	1.2
210.09126	7.3
211.08607	6.4
212.09216	9.6
212.10924	1.3
213.06615	0.5
213.10118	2.7
215.14252	0.2
222.07840	0.7
223.08641	0.3
225.06606	2.4
225.10172	1.5
226.07198	1.4
226.11012	0.8
227.08104	1.2
227.11778	29.1
228.10271	0.4
228.12170	0.5
229.13286	0.4
237.10205	2.2
238.08563	1.8
239.08115	2.9
240.08897	12.5
241.09702	8.5
253.09723	1.0
254.10564	1.0
255.11267	100.0
256.09494	0.2
256.11710	1.9
257.12827	2.9
266.08270	0.3
273.12344	1.1
283.10754	12.3
283.20581	0.3
284.11206	0.5
301.11823	16.0
301.21548	1.9
301.24753	0.3
302.12054	0.3
307.17673	0.2
318.37445	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	301.118
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
50.08137	0.3
51.36396	0.3
55.01806	0.3
55.05431	0.6
57.50676	0.3
58.62308	0.3
64.57285	0.2
65.03831	1.4
67.05390	1.2
69.03326	0.5
69.06961	0.3
69.28188	1.2
69.28618	1.9
71.04907	0.5
71.13390	0.3
72.08069	0.5
79.05385	0.8
79.05817	0.3
81.03316	0.4
81.06938	1.0
82.02859	0.3
91.05351	1.3
92.04874	2.0
93.06915	0.9
94.06485	0.5
95.04880	0.6
95.08492	0.8
97.06444	0.4
105.06885	1.0
106.06458	0.5
108.04411	0.4
108.07984	0.8
109.02764	0.3
109.10030	0.5
110.05909	0.3
115.05293	0.4
116.95495	0.3
117.06960	0.3
118.06460	0.4
119.08441	0.9
120.04447	2.3
121.06389	0.4
121.10054	0.6
122.05894	1.5
129.06929	0.6
130.06433	0.3
131.08485	0.6
133.10017	0.9
134.05939	0.5
135.11588	0.4
136.07570	5.8
139.03851	0.3
141.06845	0.8
143.07190	0.4
143.08385	0.5
144.07982	0.8
145.08823	0.3
145.09959	1.0
146.05899	0.5
147.11517	0.3
148.03906	0.3
148.07455	0.4
150.09024	1.2
152.06093	0.5
153.06876	0.6
154.06419	0.7
154.07658	0.7
155.08481	0.7
156.08008	0.7
157.09996	0.6
158.05991	0.4
158.08147	0.3
158.09529	0.5
159.09085	0.7
159.11606	0.3
160.07492	0.4
161.07060	0.4
162.05510	2.2
164.06967	0.8
165.06886	0.6
167.07280	2.2
167.08495	0.6
168.07928	1.2
169.08742	1.1
169.10014	0.5
170.08295	0.4
170.09583	0.7
170.21977	0.3
172.07448	0.9
172.11157	0.7
173.07016	0.6
174.09120	0.5
177.00682	0.3
181.06439	0.5
181.08806	0.4
182.05963	0.6
182.09616	2.8
183.09160	2.5
184.07524	0.6
184.09824	2.5
184.11203	1.1
185.07021	0.7
186.09102	0.7
187.08687	2.8
188.09296	0.5
195.06725	0.6
196.07492	0.8
197.06918	2.2
197.08493	0.7
197.10683	0.6
198.07716	1.5
198.09311	0.6
199.08519	0.9
199.12297	6.2
200.10744	1.5
209.10648	1.2
210.09149	5.7
211.08595	5.9
212.09235	9.6
213.06436	0.4
213.10115	1.3
214.08620	0.4
217.04871	0.9
222.07756	0.4
225.06596	1.9
225.10153	1.3
226.07198	0.6
226.10965	1.0
227.08112	0.8
227.11771	26.4
228.10127	0.9
228.12143	0.5
237.10161	1.8
238.08684	1.4
239.08167	2.6
240.08917	11.6
241.09734	5.3
245.04437	1.0
253.09589	1.0
254.10464	0.9
255.11264	100.0
256.09311	2.6
256.11652	1.6
257.12872	2.8
273.03790	0.8
273.12354	0.8
273.15961	1.2
283.10800	8.3
283.14395	1.7
283.20526	0.3
283.92471	0.3
284.09021	0.5
294.71497	0.3
301.03580	2.0
301.11826	15.9
301.21530	1.5
301.24820	0.4
302.04288	0.5
302.10007	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	300.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24039	0.4
51.44277	0.3
55.01878	0.4
55.05512	0.5
56.05028	0.6
56.50383	0.4
56.63877	0.4
56.96566	0.5
69.50887	0.3
70.06586	100.0
70.31123	1.7
71.06929	0.6
72.08158	1.4
83.06132	0.5
84.04503	1.4
84.08135	2.0
85.02899	0.6
86.09704	2.7
88.20766	0.4
97.06540	0.4
98.06036	0.4
105.06958	0.4
110.07184	0.8
112.07598	86.7
113.07240	0.4
113.07941	0.9
116.07097	1.4
120.04451	1.2
129.10197	0.9
132.10191	0.7
134.99670	0.5
136.06181	0.6
138.05479	0.6
140.07054	47.0
141.07434	0.6
143.08165	0.9
144.06555	1.1
157.09706	5.3
161.09225	1.9
162.05522	0.6
169.06136	0.5
240.13420	1.0
268.12964	1.1
283.12936	0.6
300.15491	1.4
301.12524	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	300.1916
Annotation	Pro Ile Ala
Peak:m/z	Relative Intensity
52.82192	0.7
54.03204	0.7
54.19386	0.8
56.07605	0.7
56.96567	2.1
60.79868	0.6
66.67460	0.6
69.03426	1.2
69.07053	2.2
70.06586	100.0
70.27085	2.5
72.08144	2.2
74.06060	0.9
83.06107	0.7
84.04500	3.0
84.08139	14.5
84.08616	1.3
85.02899	1.6
86.09698	17.8
97.02911	1.1
98.97576	0.7
110.07190	1.0
112.07609	2.2
116.07085	0.8
119.04977	1.1
124.07635	0.9
129.10234	1.1
136.06197	2.8
140.07100	0.9
147.04372	1.5
159.09935	0.8
166.68974	0.6
183.14923	29.2
197.16487	1.0
203.13835	3.2
210.56352	0.8
211.14412	10.1
219.56865	1.3
276.07672	1.4
300.06104	0.8
300.16122	1.1
300.19177	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	300.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31966	0.3
53.03940	0.6
55.01859	0.8
55.05487	0.6
56.05027	0.5
56.96560	4.8
57.03423	1.2
60.04513	1.0
60.05640	0.4
60.36935	0.3
61.02924	2.8
61.21840	0.3
66.44737	0.3
67.05481	0.3
69.03070	0.4
69.03423	5.1
70.06588	11.6
70.57455	0.8
70.57812	0.5
71.01340	0.4
71.04986	0.7
72.08160	2.2
73.02907	1.0
81.03418	1.4
83.06092	0.3
84.04510	1.7
84.08144	3.7
85.02901	9.7
86.09698	2.2
87.04453	0.9
90.05543	0.8
91.03907	0.6
91.05464	0.8
93.07027	1.6
95.04943	0.3
95.06055	0.5
96.06843	0.5
97.02879	3.5
98.06070	0.5
98.20795	0.3
98.97570	1.2
99.04442	0.6
100.23108	0.3
101.02382	0.3
102.05543	2.1
103.05412	0.4
109.02868	0.6
109.07607	0.6
110.07138	1.0
112.06236	0.5
112.07609	0.5
113.04598	0.6
116.07079	1.7
116.98618	1.3
118.06573	0.3
119.01923	0.5
119.04967	0.4
120.08095	6.4
121.06525	0.8
121.08929	0.3
122.09646	0.4
124.07609	0.3
125.04598	0.4
126.05536	0.4
127.03895	1.6
128.98639	0.4
129.10291	1.4
131.00185	0.4
134.99638	1.0
136.06172	4.4
138.09129	100.0
139.05006	0.6
139.09474	1.9
140.05650	1.6
140.06946	0.4
141.04047	0.3
141.06487	0.5
145.04959	1.4
146.54570	0.3
146.99591	0.6
147.04376	0.4
151.04868	0.6
152.05699	1.1
152.07051	0.4
157.09682	1.1
158.04874	0.5
160.06465	0.8
164.10695	0.8
165.00720	0.5
168.05183	5.3
168.06551	0.4
177.00705	0.6
183.11278	0.8
183.15042	0.5
185.09190	1.0
186.04312	0.5
188.05809	0.5
189.00725	0.5
191.05663	0.4
193.03186	0.9
197.50493	0.3
202.10719	0.4
206.07080	0.6
210.56239	0.6
213.12390	0.5
216.93204	0.3
219.01707	0.4
224.08047	1.1
268.16815	0.6
300.10577	3.4
300.14429	11.5
300.18961	1.5
301.14743	0.7
319.15332	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	300.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03428	0.5
60.04513	0.6
69.99352	1.8
70.06598	2.8
71.01345	1.5
72.08180	0.8
73.02924	0.5
85.02901	0.5
94.04069	0.7
97.03973	0.4
98.03481	0.4
98.06026	0.3
106.04001	0.5
109.05131	1.6
109.06511	0.3
119.03558	1.6
120.08086	0.4
123.06656	1.5
127.06158	0.6
133.05057	1.8
135.05371	0.5
136.06178	100.0
137.04549	1.2
137.06560	0.6
138.07719	0.8
138.09103	0.4
148.06117	0.5
149.07001	0.7
150.07765	2.0
151.06142	7.8
152.05693	1.4
154.07281	0.6
164.05702	5.8
168.05156	0.9
168.08803	9.8
178.07236	17.1
190.07259	1.3
210.06194	0.5
213.12514	0.3
252.07329	3.0
254.08850	0.9
282.08395	1.5
300.09396	4.8
300.13037	6.5
306.24631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03929	0.9
53.83807	0.5
54.96396	0.6
55.01854	1.0
55.05512	4.0
55.93519	0.8
56.96558	1.1
57.03418	1.4
57.07060	1.5
57.98124	0.6
59.04983	0.9
61.02913	0.8
65.03918	0.9
67.05503	5.0
69.03419	2.1
69.07052	3.4
69.58871	4.8
71.04993	1.2
71.34142	0.6
72.93771	1.3
77.48983	0.7
79.05486	7.2
81.03391	2.5
81.07047	5.0
83.04970	3.0
83.08607	2.6
85.06536	1.0
91.05471	29.2
93.07040	6.7
95.04953	2.5
95.08603	7.2
97.02867	1.1
97.06529	1.8
97.10129	0.6
98.97556	0.6
103.05453	1.4
105.07026	17.5
107.04951	1.3
107.08588	7.2
109.06509	1.9
109.10151	1.7
115.05441	2.6
116.06247	6.2
116.98598	1.4
117.07005	2.7
119.04929	8.9
119.08569	15.8
121.06506	1.8
121.10139	6.8
123.08059	3.1
123.11678	1.4
125.09625	2.6
128.06215	1.1
129.06998	8.1
130.07741	0.6
131.08557	43.5
132.08914	0.6
132.95847	0.7
133.06496	1.2
133.10152	4.5
134.99655	1.1
135.08011	2.1
135.11674	1.2
141.06996	1.4
142.07779	3.3
143.08554	4.2
145.06519	1.6
145.10133	4.3
147.07996	1.1
147.11687	1.7
149.09621	4.2
153.07025	0.8
155.08588	2.1
156.09326	2.9
157.10106	6.3
158.07260	0.8
158.97420	0.9
159.08041	100.0
159.11710	2.2
160.08372	1.0
161.09641	2.9
161.13220	2.0
162.96898	0.7
163.03893	0.7
164.98409	1.1
167.08571	0.9
167.10652	0.8
169.10080	2.8
171.08046	0.9
171.11734	5.1
173.13234	1.0
175.11185	1.5
176.12024	0.9
179.08597	1.0
181.10123	1.3
182.10895	1.7
183.11722	3.2
185.09598	1.5
185.13318	0.9
187.11159	1.5
189.12750	3.5
190.21475	0.6
192.09337	0.9
193.10181	1.6
195.11603	1.6
197.13272	4.5
199.11174	5.6
199.14876	1.9
201.12613	1.6
206.10939	1.4
207.11719	2.0
209.13281	1.2
211.11234	1.1
211.14850	1.1
213.12729	1.1
215.14406	1.2
220.12358	1.0
221.13261	2.6
223.11240	0.8
223.14839	1.8
225.12823	4.2
233.13216	0.7
237.16223	0.7
238.13440	0.7
239.14212	1.7
239.17934	1.2
241.15916	1.0
243.13881	1.6
248.15553	1.1
253.19646	1.3
257.18991	2.5
263.18011	4.2
266.16611	0.9
267.08994	1.6
273.07758	0.9
281.12750	0.7
281.19000	20.1
282.19272	0.8
285.10138	2.5
293.98813	0.7
299.06000	1.0
299.09348	1.5
299.20041	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	Totarolenone
Peak:m/z	Relative Intensity
55.05512	7.2
56.96552	2.8
57.03431	3.4
57.07062	1.9
59.52424	1.4
67.05487	7.0
68.11716	1.5
69.03429	3.0
69.07043	6.0
71.04964	1.9
72.93784	1.6
79.05483	8.8
81.03405	3.0
81.07056	9.2
83.04959	4.6
83.08607	5.7
85.06514	2.1
91.05471	31.4
93.07030	10.9
94.03580	1.4
95.04950	3.6
95.08585	7.5
97.06508	3.1
98.97546	3.4
105.07019	19.3
107.08559	12.5
109.06519	2.9
109.10145	4.9
109.33380	1.5
113.43468	1.5
115.05408	3.4
116.06222	8.1
116.98587	4.2
117.07003	1.8
119.04897	7.5
119.08584	13.4
121.06482	3.4
121.10145	7.8
123.08064	3.7
123.11652	2.2
125.09608	2.9
126.11289	2.0
128.06247	2.8
129.07005	11.8
131.08556	43.1
133.10115	7.6
134.99591	2.3
135.08052	3.2
135.11662	1.7
142.07727	3.1
143.08549	5.1
145.10101	5.5
147.08031	1.7
147.11632	2.7
149.09584	4.7
153.00676	1.6
155.08485	2.9
156.09312	2.8
157.10072	6.0
159.08038	100.0
159.11668	4.7
161.09560	2.8
161.13197	2.1
163.11188	1.9
169.10065	3.7
171.11644	6.3
183.11644	4.3
185.09575	2.7
187.11354	1.5
189.12741	4.1
193.10175	2.1
195.11639	2.2
197.13203	6.4
199.11122	6.8
201.12733	2.5
207.11751	2.7
209.13120	1.7
211.11240	3.6
213.12773	2.7
221.13266	2.8
223.14807	2.8
225.12798	3.5
257.18890	2.0
263.17953	4.1
268.79947	1.6
275.90207	2.4
281.19025	21.9
285.10117	1.9
299.05548	2.0
299.16675	2.4
299.20026	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	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32507	2.4
51.97881	2.6
53.00300	16.1
53.03932	6.4
55.01860	10.6
55.05269	4.3
55.05513	68.7
55.87420	2.6
57.03437	47.6
59.04984	10.5
64.09047	3.1
67.05505	47.8
69.03428	8.0
69.07043	10.3
71.01340	11.1
71.04991	4.5
71.24725	2.6
71.61216	4.5
73.02884	4.3
79.05494	38.3
81.03400	9.7
81.07059	54.8
83.04970	9.0
83.08213	3.1
83.08631	37.5
85.06521	5.6
91.05480	63.8
93.07047	44.8
95.04958	13.9
95.08591	15.0
97.02889	14.4
97.06518	11.6
97.10142	9.1
97.95525	3.0
99.00820	70.2
99.08117	3.6
101.02340	3.0
103.05463	4.3
105.07023	40.5
107.04941	19.4
107.08596	26.2
109.02882	23.2
109.06531	10.6
109.10133	20.8
111.04443	7.0
111.08086	13.5
113.05978	5.2
115.03955	5.8
117.06993	9.9
119.05019	4.8
119.08586	26.3
121.06539	18.4
123.04423	4.1
123.08081	4.6
123.11689	9.4
127.03921	7.2
128.06218	6.5
129.06944	4.6
131.08556	8.4
133.09132	5.4
133.10130	100.0
135.08034	5.9
137.09544	2.8
139.07536	5.5
143.08549	14.0
151.11192	34.3
161.09633	61.3
165.09140	3.3
171.08072	12.4
179.10675	37.1
189.09100	39.5
197.11740	12.7
207.10168	13.2
225.11211	55.7
243.12250	8.5
245.51265	2.9
279.15240	4.5
299.14893	77.8
299.20062	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	299.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96526	3.2
53.03937	9.4
55.01868	18.7
55.05257	5.9
55.05508	79.1
57.03435	52.8
57.07072	4.9
59.05005	5.5
67.05499	96.6
69.03422	7.5
69.07063	26.1
69.47050	19.6
69.47460	5.8
70.30481	2.9
71.01347	52.5
71.04985	8.8
73.02919	7.1
76.32317	2.9
76.58042	3.2
79.05058	4.8
79.05488	65.3
81.03425	5.5
81.07047	66.1
83.01299	4.6
83.04967	16.6
83.08620	24.7
83.30996	2.9
91.05474	51.6
93.07034	48.8
95.04963	20.9
95.08595	23.9
97.06495	13.5
97.10164	27.6
99.04478	4.4
105.07013	30.5
107.04990	5.0
107.08588	42.5
109.06488	11.3
109.10147	42.8
111.04471	4.7
111.08082	4.3
115.05434	3.4
117.06996	16.2
119.08595	22.2
121.06503	3.9
121.10168	8.3
123.04369	3.9
123.08006	5.1
124.91602	3.0
125.09608	14.7
131.08572	3.9
133.10106	17.3
135.08034	13.5
137.09616	5.4
143.08482	4.4
145.10080	5.6
148.56363	3.1
151.11116	5.5
153.09094	14.6
161.09586	6.7
183.75946	3.3
197.11739	5.2
217.09744	3.2
225.11195	49.0
243.12373	5.2
267.72934	4.4
299.14853	100.0
299.20068	9.5
299.23361	3.4
300.14728	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	298.2739
Annotation	Cassine
Peak:m/z	Relative Intensity
50.60580	1.2
53.03940	2.4
55.01856	1.9
55.05506	21.2
56.05039	6.3
56.05820	1.8
56.96552	5.9
57.03423	2.0
57.07062	5.7
58.02943	3.2
60.04523	6.8
61.25372	1.2
65.03931	1.9
67.05498	34.3
68.05009	3.1
68.05821	4.4
69.03408	1.5
69.06715	2.0
69.07065	31.2
69.97282	7.7
70.04038	1.5
70.07396	4.9
70.95857	1.4
71.08620	1.9
72.04505	1.7
72.80923	1.2
79.05488	22.0
80.05005	2.0
80.05821	1.5
81.07053	34.4
81.12107	1.2
82.06581	9.7
82.07356	6.4
83.04957	4.7
83.08617	10.8
85.06535	2.4
85.10185	1.6
86.06048	3.5
91.05467	10.6
93.07033	18.5
93.38967	1.0
94.06561	3.0
94.07368	5.1
95.04937	3.8
95.08049	1.9
95.08602	25.7
96.08112	2.2
96.08913	4.9
97.06517	4.4
97.10146	5.5
98.06023	1.8
98.10470	1.6
98.97566	15.9
100.07586	2.6
105.07036	6.1
107.08587	7.5
108.08141	1.8
109.10145	11.3
110.09715	1.4
110.10491	3.6
111.11724	1.7
112.12095	1.3
116.98616	21.1
119.08566	5.7
121.10149	10.3
122.09637	1.7
122.10466	4.9
123.08054	1.9
123.11670	4.6
124.12066	2.6
131.08531	1.5
132.08917	1.3
133.10120	5.2
134.99651	26.9
135.11679	3.9
136.06169	5.3
137.13255	1.7
139.11189	2.9
140.00090	1.6
140.11505	1.6
147.11662	2.2
151.14816	1.7
153.00691	6.2
158.01237	3.5
161.13196	1.9
176.02380	1.3
181.30826	1.2
200.59125	1.6
208.96138	2.7
232.96207	3.8
244.21362	2.3
245.22855	1.5
250.25304	9.3
250.97330	4.1
256.96484	4.1
262.22437	11.2
262.25302	5.7
274.97461	27.2
275.00543	1.6
275.06064	1.5
280.23459	20.9
280.26328	100.0
281.26712	1.7
292.98492	27.0
297.99081	4.5
298.27658	1.8
299.19962	2.2
315.99997	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	298.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32287	0.5
53.03924	0.9
55.01853	0.8
55.05499	3.1
56.05023	1.5
56.96552	1.1
57.07056	1.3
60.04493	1.7
60.65369	0.6
61.01123	0.7
62.06060	1.6
67.05492	5.1
69.03399	1.3
69.07039	2.5
70.02955	0.9
70.04071	0.7
70.06595	3.1
70.07391	0.8
71.04965	1.5
71.08623	17.4
71.59770	0.8
72.08127	1.8
73.02869	0.9
79.05491	4.3
81.03402	2.6
81.07065	5.0
83.04957	0.8
83.08586	1.4
84.04507	3.9
84.08145	3.2
85.02911	4.0
86.06041	1.4
86.09679	1.4
91.05459	3.6
93.07031	8.0
94.06542	1.0
95.04922	2.0
95.07336	1.3
95.08596	22.3
96.08096	2.3
97.02851	1.5
97.06501	2.2
97.10120	1.0
98.09676	0.7
98.97546	0.8
99.08077	6.6
105.06977	2.4
107.04974	3.2
107.07317	0.6
107.08567	2.0
108.08098	3.1
109.06438	0.7
109.10133	2.1
110.09638	2.5
111.08049	2.2
116.10683	0.9
116.98596	1.4
118.11029	0.9
119.08538	2.1
120.08038	1.5
121.06495	4.0
121.08913	0.7
121.10086	1.3
122.09658	6.1
123.08047	2.4
123.10390	0.9
125.09582	0.9
128.06956	0.7
131.08556	0.6
134.99591	1.1
136.06169	11.4
136.11143	2.2
138.09151	0.8
139.07500	0.9
140.10670	1.2
141.11398	0.7
142.12241	3.7
143.10658	60.7
147.08023	1.2
154.12189	1.1
156.10240	0.8
160.87990	0.7
161.13312	0.9
163.20006	0.6
164.10696	1.9
166.09842	0.7
182.11740	5.8
189.55756	0.8
193.10741	1.0
200.12794	100.0
201.07646	1.0
201.13113	2.0
211.68646	0.6
239.11478	1.8
292.98505	0.9
298.04855	1.4
298.20108	59.1
299.05756	1.2
299.09296	2.8
299.12729	0.9
299.20270	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
56.05038	0.6
56.96560	1.4
57.03428	1.4
57.07062	1.2
60.04525	0.7
61.01155	2.9
67.05503	1.1
69.03423	0.7
69.07062	5.1
69.92879	0.9
69.93154	3.0
70.04079	1.1
70.06593	5.0
70.06957	0.8
70.07389	1.1
70.95845	0.5
71.34604	0.5
72.08143	1.2
72.93817	0.6
75.02695	1.3
80.05001	2.2
81.03400	0.6
81.04511	0.6
83.04967	0.9
83.06103	0.9
84.04512	1.2
84.08147	2.3
85.02882	1.5
86.09707	1.2
91.05454	0.9
96.04486	1.9
96.08098	1.0
97.02886	2.0
97.06509	2.6
98.97580	0.9
101.06041	3.9
109.05131	0.7
110.03534	3.0
110.07210	0.7
115.07552	0.9
116.07918	0.7
116.98608	1.2
119.07057	1.5
124.03954	52.0
125.04289	0.9
128.04565	2.4
129.09105	2.5
129.10088	0.8
133.07584	0.7
135.02977	0.8
136.06189	41.6
147.04422	0.8
148.08757	0.6
152.05675	100.0
153.04100	11.0
153.06023	0.8
154.02512	0.6
156.07706	0.6
163.04283	1.2
165.09055	0.9
166.07269	1.8
166.09773	1.5
178.09761	1.1
193.10793	3.9
200.07285	0.7
201.07666	1.3
239.11372	5.9
241.79453	0.6
266.12473	1.0
298.09332	12.5
298.14975	12.3
298.18286	0.8
299.09647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01873	1.9
55.05500	0.6
56.05018	0.3
57.03424	1.0
58.19130	0.3
61.01149	5.2
61.02925	1.7
64.41909	0.2
65.03931	0.5
67.05484	0.8
69.03428	1.9
69.07053	1.4
69.87056	1.1
69.87470	0.6
70.06278	0.3
70.06593	2.6
71.04978	0.4
71.37257	0.3
72.08140	1.1
73.02916	0.8
73.06541	0.5
75.02706	2.4
81.03398	1.2
81.07059	0.4
83.04970	0.4
84.04492	0.4
84.08134	1.7
85.02904	4.8
86.09689	1.5
91.03959	0.3
91.05466	1.2
92.04989	1.9
93.07039	0.4
94.04055	0.3
94.06560	4.7
95.01289	0.4
95.04951	1.0
97.02896	3.3
97.06590	0.4
99.04485	0.4
101.06015	0.3
103.02153	0.5
103.03929	1.2
103.05476	0.3
104.05018	0.6
105.07014	0.5
106.06560	1.7
109.02875	0.7
110.07159	0.4
111.04440	1.2
113.06002	0.3
115.05430	0.5
115.07529	0.4
116.98580	0.4
117.05753	1.0
117.77097	0.3
118.06539	7.0
119.03532	1.0
120.04458	17.0
120.08045	1.0
123.04428	2.1
124.03913	0.3
127.03903	0.6
129.10248	0.8
130.06528	4.0
132.04457	0.6
132.08080	5.8
132.09012	0.5
134.06017	0.4
136.06178	100.0
136.07504	6.0
137.04587	0.3
137.06535	0.7
139.03888	4.2
141.05396	0.4
142.06456	0.3
143.07216	0.4
144.01205	0.3
144.08063	1.0
145.03169	1.6
146.06001	17.6
148.07578	1.7
148.08620	0.5
151.03899	1.5
156.08089	0.6
158.06021	1.2
159.06799	0.5
160.07571	12.6
161.08009	0.3
163.04248	0.9
164.07037	0.9
169.04956	0.7
170.06044	0.5
170.09586	0.4
172.07593	3.5
176.06982	0.4
178.08609	0.6
183.06790	0.6
184.07536	2.3
186.09192	0.5
190.08650	0.4
193.10854	0.5
194.70795	0.3
196.07587	0.7
198.09129	1.5
202.08647	1.3
203.36526	0.3
214.08606	1.7
220.09637	0.5
226.08694	1.6
232.09709	0.6
238.10738	3.0
239.11447	0.9
244.09734	1.5
254.13971	0.5
256.11929	0.8
262.10742	1.9
280.11752	5.0
298.09680	2.9
298.12869	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	298.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01862	6.2
55.55323	1.5
57.03429	4.7
59.16064	1.4
61.02917	6.7
65.03949	1.8
67.05482	1.8
69.03427	10.2
69.93026	9.9
70.06583	4.1
73.02912	3.7
81.03413	3.8
84.08134	1.6
85.02409	2.8
85.02892	27.8
86.09698	7.1
91.05462	3.6
92.04993	7.0
94.06554	24.3
95.04949	4.4
97.02876	9.8
99.04457	2.1
103.03946	5.6
103.42629	1.6
104.04989	3.1
106.06554	3.9
109.02896	3.6
110.07147	1.8
111.04441	3.4
115.05428	3.4
117.05747	7.1
118.06532	24.8
119.07379	1.7
120.04457	69.4
120.08147	3.8
122.32392	1.6
123.04428	7.9
127.03944	3.9
129.10139	1.6
130.06516	18.0
132.04449	4.0
132.08078	39.8
134.06075	1.7
136.06181	10.5
136.07562	42.4
139.03888	15.7
141.05476	2.4
143.07285	2.1
144.08073	5.1
146.05995	100.0
147.04340	2.3
148.07553	8.1
151.03894	6.4
156.08055	4.5
158.05998	4.0
159.06760	3.0
160.07578	73.2
160.98964	2.2
164.07097	1.9
169.04915	4.4
172.07555	20.9
174.09041	1.8
178.08607	2.5
180.08049	1.7
183.06754	4.5
184.07562	12.2
186.09183	3.9
190.08679	2.4
196.07587	4.4
198.09167	8.2
202.08643	10.1
214.08632	9.0
226.08583	7.1
232.09645	3.8
238.10739	7.0
239.11429	1.7
243.65459	1.7
244.09772	8.1
256.11868	3.3
262.10706	7.5
280.11829	18.7
298.12842	76.1
298.19955	3.7
303.38876	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.01846	0.2
55.05498	0.2
61.01147	4.4
61.02890	0.2
63.38746	0.1
67.05498	0.1
69.03411	0.5
69.07055	0.3
70.06568	0.6
71.59454	0.3
72.08134	0.6
73.01136	0.2
73.06504	0.1
75.02696	2.2
79.00309	0.1
84.04542	0.1
84.08143	0.8
85.02888	0.4
86.09704	0.4
91.05485	0.2
93.57292	0.1
94.04043	0.4
94.06549	0.4
95.04980	0.1
97.02876	1.6
103.02156	0.4
106.06519	0.1
107.86414	0.1
110.94805	0.1
112.51799	0.1
118.06536	0.5
119.03529	0.8
120.04449	1.5
120.08067	0.2
123.04392	0.2
129.10239	0.2
130.06543	0.3
131.43007	0.1
132.08099	0.6
132.09052	0.1
136.06174	100.0
137.04565	0.6
137.06667	0.8
139.03918	0.2
145.03175	1.3
146.05991	1.5
151.03947	0.2
160.07593	0.8
163.04262	1.1
172.07574	0.2
198.46078	0.2
214.08546	0.2
221.10088	0.2
225.36143	0.2
238.07613	0.2
238.10715	0.3
239.11336	0.2
262.10696	0.2
280.11890	0.3
298.09656	2.1
298.12878	1.2
298.19891	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	298.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72990	0.3
56.96555	0.7
57.07074	0.6
61.01157	1.4
63.21016	0.3
67.41496	0.3
69.03435	0.4
69.07060	1.2
69.68196	1.5
69.68614	0.7
70.04068	0.7
70.06612	1.5
70.07407	0.5
72.08140	0.4
72.93762	0.4
75.02698	0.7
76.54749	0.3
80.05010	3.6
84.08141	1.0
84.72690	0.3
85.02909	1.2
86.09699	0.5
91.05470	0.7
96.04501	3.2
96.08121	0.4
97.02870	0.8
119.04918	0.4
120.08092	1.1
124.03947	100.0
125.04307	1.3
128.04558	0.3
131.05865	0.3
132.08087	0.4
134.99690	0.4
136.06183	18.2
147.04460	1.0
148.08675	0.6
150.05545	0.4
152.05672	10.9
153.04082	1.2
164.02313	0.8
166.09738	1.0
178.09720	0.4
193.10826	1.5
201.07608	0.9
233.32062	0.3
234.11389	0.9
239.11375	2.7
262.10696	1.1
276.07535	1.2
280.11838	1.0
298.09216	20.6
298.15051	0.9
299.09521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	2.6
53.03944	3.8
55.05507	100.0
56.96547	4.2
57.03435	4.1
57.07074	25.4
58.07398	3.5
63.54148	2.8
65.03951	2.5
65.22839	2.8
67.05496	27.8
69.07063	47.1
70.04067	3.1
70.07390	16.1
71.04986	7.2
71.60275	3.7
71.60610	3.7
72.96579	2.5
79.05496	13.2
81.07050	40.7
83.04962	5.3
83.08612	71.6
84.73176	2.3
85.06548	10.2
85.10177	36.9
91.05463	15.8
93.07028	16.9
95.07985	3.2
95.08595	47.5
97.06528	10.9
97.10162	4.3
98.97570	10.5
99.08076	3.4
105.07005	17.2
107.08583	15.2
109.10163	9.2
111.08110	3.8
113.09640	49.7
115.07580	10.5
116.07885	6.2
116.98633	16.3
119.08534	12.1
121.10138	11.0
123.08032	4.3
123.20499	2.8
128.99168	3.4
131.00793	3.7
131.01894	2.7
131.08574	3.6
132.01089	2.3
133.10136	27.4
134.99626	13.8
135.08008	3.1
135.11703	7.6
136.06143	3.3
137.13292	5.7
143.00714	7.3
145.75880	2.4
149.09604	6.3
149.13248	15.0
151.11189	5.1
153.00751	4.8
153.32484	2.4
159.11630	3.7
161.13243	30.7
167.14331	9.0
176.15460	2.6
179.14313	28.0
197.15369	15.5
199.06981	10.9
200.07309	24.5
228.06726	4.0
243.21091	3.8
250.89449	6.1
256.96545	3.0
261.22098	10.7
273.90918	4.5
274.97375	20.0
279.23172	21.1
280.26328	2.8
292.98495	15.4
297.10046	11.5
297.22003	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	297.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	3.9
56.96547	4.7
57.07072	13.3
58.07393	3.2
61.89152	1.3
67.05489	4.9
69.03432	1.6
69.07063	42.4
69.33248	1.6
69.33590	15.5
70.04049	3.1
70.07405	20.9
70.07793	2.9
72.93777	2.6
76.42172	1.4
79.05460	3.3
81.07033	5.5
83.08614	1.6
89.04239	2.5
90.94803	2.2
91.05484	2.7
93.07028	3.4
95.04937	3.9
95.08632	3.5
97.10184	2.0
98.97578	8.4
100.99661	1.6
105.06994	2.9
106.46194	1.3
107.08553	2.4
109.10149	2.8
115.07555	9.7
116.07885	6.5
116.98637	10.9
118.71525	1.4
119.08575	1.7
121.02783	1.7
121.10159	3.4
128.99158	4.1
129.99541	2.1
131.00696	4.7
132.01051	5.3
133.10097	1.5
134.99635	14.0
136.06181	6.1
143.00688	6.7
144.01041	8.1
145.10019	1.5
153.00713	3.6
159.11607	2.6
199.06961	12.2
200.07309	32.9
228.00294	1.5
228.06821	2.2
244.43668	1.4
250.89389	4.1
250.97232	2.2
253.08565	1.9
259.42032	1.6
273.90915	2.9
274.97427	14.0
279.06607	1.8
292.98462	13.1
297.10123	15.6
297.16690	100.0
297.25613	2.7
298.17175	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	297.2422
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
50.97272	1.2
53.03932	2.5
53.41367	1.3
55.01859	2.5
55.05505	22.5
56.96551	4.9
57.03416	2.5
57.07073	27.2
58.07405	7.5
59.04996	1.4
62.72653	1.4
62.94892	1.2
65.21664	1.4
67.05502	35.4
69.03418	2.7
69.07063	100.0
70.04076	2.3
70.07401	30.6
70.07787	2.1
71.04980	5.9
71.08173	3.1
71.08598	1.9
79.05489	26.5
81.03400	2.6
81.07052	56.5
83.04985	8.3
83.08607	5.9
85.06538	4.2
91.05480	8.1
93.07037	35.3
95.04975	3.1
95.08601	41.5
97.06516	13.0
97.10165	8.9
98.21484	3.7
98.97571	7.1
99.08076	2.6
100.99695	4.2
101.06048	1.6
102.00011	1.6
105.07030	6.8
107.04924	2.0
107.08585	13.2
109.06471	1.5
109.10158	17.2
111.04419	2.1
111.11723	3.6
115.07546	16.5
116.07873	10.8
116.98612	9.7
117.07021	1.8
119.08582	5.7
121.10137	29.0
123.08093	1.5
123.11702	11.4
125.49365	1.4
128.99187	5.5
129.07002	1.7
129.99500	3.1
131.00749	8.0
131.08553	4.0
132.01047	3.5
133.10124	8.5
134.99660	13.4
135.11658	6.5
136.06158	4.4
137.13264	3.9
139.11191	11.8
143.00726	8.1
143.08595	2.6
144.01073	8.5
145.10123	4.2
147.11644	3.4
149.13232	4.8
151.11159	1.5
153.00708	3.1
153.03918	1.3
157.02280	4.7
157.10138	2.2
158.01350	1.4
158.02644	6.1
159.11630	2.4
161.13228	2.1
162.09898	1.6
163.14839	1.6
167.14388	1.7
169.10071	1.8
171.11581	1.6
173.13232	3.7
187.13324	3.4
187.14835	2.4
195.11868	1.5
199.06964	16.6
200.07320	46.4
203.12805	2.6
209.89163	1.6
228.06805	2.7
232.96193	2.0
243.21097	4.7
250.89368	3.1
250.97153	2.6
255.01411	1.7
256.96494	2.2
261.22147	16.9
262.89462	1.6
273.90747	1.9
274.97360	14.0
279.20316	2.8
279.23196	44.2
280.23538	1.9
280.26239	8.2
292.98505	13.2
297.10031	21.8
297.18753	2.3
297.22159	7.0
298.10031	2.0
316.00153	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1232
Annotation	Chandrananimycin C
Peak:m/z	Relative Intensity
51.02374	0.2
53.03936	0.5
54.03458	0.2
54.69094	0.1
55.01866	0.1
55.05510	0.3
56.96539	0.2
57.07073	0.2
58.07401	0.1
64.15379	0.1
65.03594	0.2
65.03928	2.7
66.04699	0.1
67.05163	0.2
67.05496	2.3
68.05016	0.3
68.99782	0.3
69.03413	0.2
69.07043	0.8
69.29423	1.1
70.07388	0.3
71.04982	0.1
77.03915	0.2
79.05481	5.3
80.04996	1.7
81.03390	0.2
81.05784	0.2
81.07044	0.7
82.06570	0.3
83.08612	0.1
85.02847	0.1
89.03897	1.1
91.04958	0.1
91.05468	3.2
92.04990	3.7
93.05775	1.6
93.07030	3.9
94.06554	4.8
95.04956	2.1
95.07341	0.4
95.08560	0.2
96.04461	0.2
96.08101	0.4
97.02863	0.1
103.05456	3.3
104.04982	0.2
105.04522	0.2
105.05738	1.4
105.06953	0.2
106.06538	3.4
107.04911	0.7
107.07338	1.1
107.08565	0.2
108.08101	29.8
109.06514	0.1
109.08416	0.3
109.10138	0.2
110.06013	0.7
116.04967	1.3
117.05750	0.4
118.06522	2.1
119.07298	1.3
120.04452	13.2
120.08088	12.4
121.08864	0.2
122.06004	0.6
122.09662	0.2
123.08070	0.1
124.07589	0.3
130.06560	0.2
131.07333	0.3
131.08559	0.2
132.04440	1.1
132.08102	0.4
133.05109	0.1
134.06001	7.0
135.04413	0.3
135.06828	1.0
135.07719	0.2
136.07558	100.0
137.07901	1.0
138.05478	4.1
142.06549	0.1
143.07269	0.3
144.04411	1.6
144.08066	0.5
145.08803	0.4
146.05998	0.8
148.07550	20.8
149.07915	0.2
151.08664	0.2
152.07054	1.9
155.08559	0.3
156.08072	0.2
157.08846	0.3
158.09653	0.9
159.10420	0.3
160.07513	0.1
162.05478	66.8
163.05847	0.6
167.07288	1.0
168.08066	0.3
169.07660	0.6
170.06017	0.2
170.08377	0.4
170.09686	0.2
171.06815	0.2
171.09149	0.3
172.11211	0.7
174.05495	1.7
180.06546	0.2
180.08017	0.1
181.08817	0.5
182.09642	1.8
183.09132	2.0
184.07521	0.2
184.09924	5.5
185.08430	0.2
185.10536	0.2
186.09122	0.8
188.07130	0.2
193.07434	0.1
193.09613	0.1
194.08386	0.5
195.09111	0.4
197.07036	0.4
197.10684	1.6
198.07855	0.3
198.11496	2.4
199.07132	0.3
199.08635	0.4
199.12286	3.2
200.07240	0.4
200.10687	0.5
207.09230	0.2
208.09914	0.5
209.10701	1.4
210.09125	0.7
210.11288	0.2
211.08658	1.5
212.07343	0.3
212.09401	3.2
213.10147	0.4
223.08743	0.2
223.12279	0.4
224.10667	0.2
225.06691	0.1
225.10190	0.9
226.08817	0.2
226.10919	1.7
227.11757	13.1
228.08723	0.2
228.12244	0.2
234.08952	0.1
236.09415	0.6
237.10297	0.6
239.08142	0.8
240.08882	1.2
241.09775	0.2
241.13287	0.3
251.11806	1.8
252.10126	0.5
253.09711	0.8
253.13499	0.2
254.10455	2.2
255.11243	13.2
255.17323	0.3
256.11566	0.3
267.07596	0.5
267.11118	0.2
269.12805	16.8
270.13037	0.4
273.12299	0.9
279.11264	0.3
287.74124	0.1
297.12299	19.8
298.12546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03931	8.0
55.05509	31.9
57.03449	4.4
57.07072	51.5
58.07396	7.4
58.08270	3.8
58.61261	5.1
67.05495	41.3
69.07063	100.0
69.28998	40.1
70.07392	22.7
70.07776	6.9
75.27240	4.3
79.05483	28.6
81.03398	13.9
81.07043	38.6
83.04964	15.5
83.08601	11.1
85.10180	65.1
90.33681	3.7
91.05487	24.8
93.07031	23.0
95.04947	18.0
95.08608	23.3
97.06538	7.1
97.10178	6.6
105.07021	15.2
107.04930	18.5
107.08594	8.3
109.06519	8.6
109.10159	6.3
113.09639	66.0
115.04465	4.4
115.07565	25.3
115.08241	4.3
116.07901	6.6
119.08583	7.5
121.10124	9.4
123.08051	5.3
128.99162	5.1
129.00966	4.6
131.00742	4.8
131.08545	7.1
133.10139	7.9
141.01030	7.0
143.00729	5.5
147.11690	9.4
149.09656	19.3
149.13240	6.4
157.02409	4.8
157.10187	5.0
161.13318	4.4
163.11192	8.9
165.12758	52.8
175.11166	9.3
194.48756	3.8
197.07254	17.9
198.07593	31.9
198.69804	3.9
199.06932	33.8
259.20517	9.3
277.21634	47.1
295.10324	13.7
295.22733	69.1
296.09665	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	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03938	16.4
55.01859	7.7
55.05504	23.3
57.07071	31.3
58.07402	3.7
59.05003	3.8
65.09361	2.2
67.05164	4.6
67.05499	59.1
69.03436	4.0
69.07063	100.0
69.92659	14.8
70.07391	16.1
70.07813	4.9
71.04986	3.6
71.08617	6.1
71.44354	2.4
73.61459	2.6
77.47309	2.6
78.85284	2.2
79.05486	38.6
81.03411	57.2
81.07045	53.9
83.04971	20.0
83.08607	10.3
85.06551	3.1
85.10189	5.3
91.05473	23.3
93.07039	35.9
95.04956	37.8
95.08592	24.4
97.06514	2.5
97.10173	4.0
99.08085	6.6
100.99563	2.4
103.05489	4.7
105.07014	33.6
107.08585	21.3
109.06519	9.7
109.10146	16.8
111.08103	4.9
113.09665	3.4
115.05470	2.8
115.07582	13.3
116.07915	5.2
117.07043	2.6
119.08603	12.8
121.10134	13.4
123.08052	2.7
123.11716	6.9
125.09642	10.1
126.99453	3.1
128.99156	2.4
129.00967	4.1
131.00732	3.3
131.08566	4.1
133.06458	7.7
133.10112	13.7
134.07240	5.9
135.08041	23.5
135.11678	10.0
137.09601	3.4
141.01003	4.3
142.01389	3.7
143.00740	3.8
143.08549	5.2
145.10095	4.3
147.11621	11.7
149.09631	3.6
149.13228	7.1
150.54353	2.8
151.07616	2.7
151.11156	34.1
153.09091	3.2
157.10126	5.1
161.13272	12.1
163.11343	2.3
165.03726	9.0
165.12720	10.4
167.05244	2.6
171.11771	3.4
173.13229	2.8
175.11284	2.8
175.14784	4.2
179.05304	3.2
181.12199	6.9
189.12755	3.1
193.12204	4.5
197.07294	8.3
198.07603	16.8
199.06889	23.4
211.13373	3.4
217.19446	3.2
231.21074	10.0
241.19542	4.4
246.75684	2.5
249.22102	9.3
259.20566	6.0
277.16367	3.1
277.21594	71.2
293.50015	2.3
295.10275	6.9
295.22861	12.6
296.09766	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	295.2264
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.08450	1.9
53.03926	4.8
55.01864	26.1
55.05498	27.6
57.03426	4.1
57.07069	25.6
58.07399	3.1
65.94608	1.9
66.49862	2.0
67.05497	61.3
67.24725	1.7
68.99761	2.7
69.03419	8.4
69.07058	69.1
69.62933	6.4
69.63352	9.0
70.07388	9.9
70.07806	2.9
71.04989	10.3
71.08606	6.1
71.22272	1.8
71.67338	2.1
79.05489	20.2
81.03407	7.3
81.07047	32.0
83.04973	17.2
83.08604	9.1
91.05470	29.5
93.07034	45.5
95.04968	9.9
95.08593	100.0
97.02867	4.1
97.06534	10.6
97.10160	8.5
99.08055	3.9
105.07010	10.3
107.08598	11.4
109.10139	35.7
111.04462	3.0
111.08088	3.6
111.11748	2.2
113.05980	2.1
115.07568	12.4
116.07907	4.2
117.07011	3.6
119.08559	31.9
121.10145	19.7
123.08059	9.0
123.11688	5.2
125.09573	3.0
126.99529	2.6
127.99769	2.3
128.99211	2.4
129.01021	3.5
129.07014	3.2
131.00735	4.8
131.08560	3.6
133.10114	7.2
135.11667	10.2
137.09592	65.8
137.13191	2.9
139.11191	15.3
140.94797	2.1
141.01024	3.8
142.01328	4.3
143.00681	6.0
145.10098	2.7
147.08087	2.0
147.11697	5.9
149.13232	5.0
153.12708	2.1
155.10605	4.1
161.13251	6.3
163.11168	2.8
163.14845	2.9
165.09123	7.0
165.12732	10.2
167.14291	5.7
175.14891	2.6
179.14226	3.8
181.12224	17.3
193.12248	3.6
197.07256	7.3
198.07626	21.0
199.06972	21.4
211.13559	2.0
226.07193	2.1
227.06560	2.8
231.21066	9.0
249.22092	32.5
256.00473	2.5
259.20529	4.4
277.21490	20.2
295.10342	6.8
295.17160	2.3
295.22675	31.1
296.09814	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03932	7.4
55.01868	32.0
55.05254	4.2
55.05509	53.5
57.03418	3.7
57.07067	32.6
58.07397	5.8
60.90311	2.4
63.95778	2.4
65.03943	2.6
67.05165	4.9
67.05501	66.1
67.05842	2.3
69.03410	6.3
69.07064	100.0
70.01393	14.4
70.04074	2.4
70.07397	21.0
70.07761	4.4
71.04971	4.1
71.08635	15.5
79.05485	43.9
81.03416	16.8
81.07056	57.5
83.04985	14.9
83.08611	31.6
85.06522	2.9
85.10172	6.3
86.09734	2.7
89.80027	2.3
91.05486	28.5
93.07045	48.5
94.92836	2.3
95.04967	18.1
95.08598	37.1
97.06505	13.0
97.10174	14.9
98.21488	3.3
99.08097	17.6
105.07027	23.8
105.52542	2.8
107.04939	3.1
107.08582	27.4
109.06499	7.0
109.10142	18.5
111.08077	30.8
113.09636	3.2
114.79519	2.6
115.07555	17.4
116.07890	6.5
116.14942	2.4
117.07020	9.8
119.08572	15.2
121.10124	21.5
123.08081	3.2
123.11722	3.4
125.09608	10.5
126.99502	3.3
129.01038	5.3
129.06975	2.9
130.01466	3.1
131.00734	5.1
131.08551	9.4
133.10126	23.6
135.08156	2.6
135.11710	21.9
137.09579	3.2
139.11174	6.2
141.01036	5.8
142.01407	2.6
143.00734	7.6
147.08003	3.0
147.11606	12.4
149.12195	2.7
149.13257	15.0
151.11169	16.3
153.12744	2.8
156.02951	3.1
157.10097	4.9
159.11690	5.7
161.13252	8.9
163.11139	3.4
163.14743	3.2
165.12766	11.7
171.11746	3.9
172.96555	2.4
175.11115	5.3
175.14775	4.7
177.12764	2.8
179.14343	5.4
185.13235	6.2
189.11185	5.5
193.12206	6.7
195.13847	4.4
197.07312	12.3
198.07617	21.4
199.07011	29.3
207.13802	2.6
221.15314	4.8
241.19417	4.9
249.22214	4.5
259.20538	9.7
277.21616	65.4
295.10196	12.3
295.22748	44.1
296.09811	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	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.01646	3.2
53.03943	5.8
55.01872	4.8
55.05511	23.4
57.07072	24.8
58.07402	4.2
65.03933	3.2
67.05498	61.9
69.07063	78.7
69.87411	5.7
69.87819	14.9
70.07391	15.7
70.07774	3.2
71.04980	4.5
71.08623	51.2
79.05488	51.9
81.03397	9.8
81.07059	58.2
83.05005	15.8
83.08617	13.1
84.52953	3.1
91.05468	28.5
93.07037	67.2
95.04963	14.4
95.08611	33.2
97.06521	9.6
97.10150	5.6
99.08092	31.8
99.08683	5.0
105.07029	16.7
107.04926	6.2
107.08595	31.1
108.88845	3.6
109.06535	4.3
109.10135	13.9
113.09696	4.6
115.07555	15.8
117.07041	3.9
119.08556	16.8
121.10146	36.8
123.11665	4.1
125.09595	4.1
127.11184	3.5
131.00726	5.5
131.08553	5.6
133.10147	17.0
135.11691	48.9
137.09579	4.3
141.01042	5.2
141.09138	3.3
143.00754	6.1
145.10115	3.8
147.11707	8.1
149.13234	10.3
151.11179	18.5
161.13222	14.0
163.11186	7.6
175.14786	3.7
177.12715	6.2
179.14296	100.0
197.07294	9.0
198.07576	24.0
199.07037	20.3
235.17032	3.7
259.20770	5.2
269.18945	3.9
277.21576	40.5
295.10403	9.9
296.09689	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	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05509	13.1
57.07074	17.1
65.03941	2.5
67.05500	100.0
69.07065	48.7
69.43067	7.0
69.43496	8.2
70.07848	2.9
78.39787	1.5
78.59140	1.8
79.05494	15.0
81.07053	97.3
83.08607	3.9
85.06538	3.1
91.05475	6.3
93.07041	11.3
95.04939	2.1
95.08603	83.0
97.06529	2.7
99.00018	2.8
105.07009	4.5
107.08595	7.3
107.21845	1.8
109.10151	44.9
115.07571	8.6
117.07034	2.3
121.10126	9.4
123.11703	32.8
126.99511	5.0
129.01015	4.8
131.08531	4.7
133.10152	4.7
135.11696	7.0
137.09596	2.8
137.13260	12.9
141.01030	7.3
145.10158	4.1
147.11650	2.9
149.13271	2.7
151.14812	2.6
153.09142	1.6
155.02544	3.9
159.11693	3.6
161.13196	2.7
163.11137	2.8
163.14932	2.4
165.16330	2.0
173.13275	5.0
177.12688	2.5
177.16429	1.8
187.14815	4.6
197.07274	24.0
225.06822	2.1
230.86293	1.7
243.21190	4.7
261.22208	9.9
275.39124	1.8
293.24747	24.5
294.09998	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	295.165
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
55.05495	0.6
56.96532	0.3
57.07076	2.5
58.07401	0.4
59.74953	0.2
65.03921	0.4
66.06635	0.2
67.05502	0.4
69.03408	0.4
69.07061	6.9
70.06578	0.6
70.07388	2.0
70.07799	0.4
70.10139	0.5
70.10533	0.4
72.08152	0.6
74.02423	0.6
81.07044	0.4
84.04468	0.3
84.08131	0.7
85.02909	0.4
86.09695	5.6
91.05471	23.7
93.07018	0.4
97.60545	0.2
98.97578	0.3
99.05555	0.6
103.05458	0.4
107.04940	1.0
108.08070	0.3
109.06505	0.6
113.01545	0.2
115.07563	1.6
116.07893	0.4
116.98612	0.3
118.06523	1.0
119.04932	16.6
120.08101	0.4
121.06499	2.6
126.99463	0.4
127.99821	0.3
128.99162	0.2
129.01033	0.7
129.10248	0.6
130.01370	0.3
130.04961	0.2
130.08655	0.6
131.00728	0.3
132.10204	1.8
136.07562	100.0
137.07906	0.6
141.01013	0.6
142.01379	0.5
143.00737	0.5
145.06067	0.5
147.04391	0.5
150.07773	0.3
161.10721	0.5
185.38074	0.2
197.07307	0.9
198.07608	2.9
199.06966	1.8
236.12796	0.4
245.05753	0.2
249.15877	1.3
250.14452	0.5
278.13864	1.2
295.10382	1.3
295.16473	4.9
296.09711	0.3
304.70657	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	3.9
55.01875	7.6
55.05262	1.9
55.05510	27.3
56.96560	6.2
57.03428	2.9
57.07073	27.6
65.03929	2.4
67.05502	44.5
69.03404	2.6
69.07066	100.0
70.07846	4.4
70.67067	2.7
70.67427	1.8
71.04982	1.8
79.05058	1.7
79.05493	35.5
81.03410	6.6
81.07054	56.6
83.04971	7.6
83.08610	13.9
85.02891	1.6
85.06526	4.0
91.05473	25.9
93.07042	31.3
94.65287	1.3
95.04980	14.1
95.08605	34.0
97.06519	14.0
97.10160	11.1
98.97570	3.7
98.99999	4.3
99.08092	1.5
105.07030	27.0
107.04960	8.8
107.08591	35.6
108.08898	1.3
109.06517	10.6
109.10152	16.8
111.04432	1.8
111.08119	3.3
115.07565	16.8
116.98642	2.1
117.06981	8.2
118.74554	1.1
119.08569	16.8
121.06488	5.2
121.10137	14.9
123.08050	5.7
123.11700	8.9
125.09599	8.1
126.99471	9.2
129.01024	12.5
129.06972	2.5
131.08568	10.7
133.10129	18.6
134.99614	1.9
135.08035	6.6
135.11696	10.2
137.09593	5.3
137.13219	2.3
139.11128	1.3
141.01016	15.9
143.08572	2.8
145.10097	10.2
147.08031	2.4
147.11670	12.6
149.09616	12.9
149.13235	4.6
151.11151	6.9
155.02577	6.5
155.08568	2.3
157.10143	2.9
159.11685	8.0
161.01158	1.7
161.09575	2.7
161.13208	3.7
163.03931	1.4
163.11195	7.8
163.12332	1.4
163.14853	2.0
165.09099	4.6
165.12766	2.8
169.10146	2.4
171.11594	2.0
173.13220	6.0
175.11188	3.3
177.12766	3.4
183.11626	2.2
187.11136	2.0
189.11217	4.1
191.14342	2.0
193.12286	2.1
197.07278	50.0
197.13326	2.1
201.12666	1.2
203.12726	1.9
213.16354	2.1
215.06467	1.6
215.17961	2.0
225.06755	2.6
229.19521	4.6
239.17886	4.3
247.20569	7.0
257.18973	7.9
275.20059	64.8
275.23108	3.1
276.20447	1.4
293.21069	25.0
293.28314	2.4
294.09967	17.3
311.04324	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	293.2106
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03936	1.0
53.87945	0.6
55.01852	2.7
55.05300	0.7
55.05506	7.4
57.07066	12.1
58.45463	0.7
61.02883	0.6
67.05493	9.5
69.07059	45.0
69.76678	0.6
69.94622	1.5
69.95038	2.5
70.07828	2.6
71.04955	1.1
71.08604	1.4
71.74543	0.6
74.70094	0.7
79.05477	9.7
81.03393	2.9
81.07042	10.1
83.04957	1.8
83.08606	4.4
85.06535	1.1
91.05469	4.1
93.07034	8.1
95.04957	19.9
95.08588	6.1
97.06509	2.0
97.10151	2.4
98.21445	1.0
98.99976	1.4
99.08045	1.2
101.63783	0.6
103.03101	0.8
105.07013	5.0
107.04939	5.5
107.08580	4.0
108.05749	1.2
109.06516	3.3
109.10134	2.3
111.04403	1.6
111.08057	1.1
113.01546	0.8
115.07552	8.0
117.06999	2.4
119.08558	2.8
121.06485	8.1
121.10104	2.9
123.08041	1.3
123.23710	0.6
125.09618	1.0
126.99441	3.4
129.01016	5.3
131.08537	2.9
133.10104	3.4
135.08037	4.7
135.11690	1.0
139.11139	0.7
141.00990	7.6
145.10104	1.2
147.11688	1.5
149.09586	3.6
151.11168	2.7
153.05467	1.1
155.02536	2.3
159.11691	2.5
161.09589	1.2
161.13318	0.7
161.52695	0.6
163.11166	2.9
164.11980	1.4
165.12767	1.6
173.13257	0.7
177.12762	1.5
181.04889	1.0
189.11279	0.7
191.10628	1.5
197.07268	25.2
203.12840	0.7
207.13828	1.1
209.11734	2.9
219.13763	1.0
223.13287	2.3
225.06772	1.8
225.14973	1.0
237.11240	4.4
237.14767	5.5
239.17915	0.8
247.20570	0.9
257.18835	1.0
275.20016	10.1
293.21075	100.0
294.10019	9.1
294.21365	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	293.2109
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03936	6.3
55.01863	7.4
55.05508	21.9
57.03436	2.9
57.07070	22.8
59.05001	2.0
65.03944	1.6
67.05498	25.0
69.07060	100.0
69.84591	2.8
69.85003	7.1
70.07843	4.9
71.04993	1.9
79.05487	50.5
81.03411	8.6
81.07050	30.4
83.04967	4.9
83.07545	1.3
83.08608	14.1
91.05467	23.9
93.07036	38.6
95.04954	12.7
95.08597	21.6
97.06533	6.1
97.10173	3.2
99.00005	2.4
105.07023	25.4
107.04943	60.8
107.08575	23.3
109.06504	4.6
109.10159	5.8
111.08068	2.4
113.01564	1.4
115.07568	19.9
117.07030	7.6
119.08563	21.2
121.06481	2.9
121.10130	15.7
123.08077	2.9
123.11717	2.6
126.99444	7.7
129.01039	9.3
129.07018	4.1
131.08533	9.7
133.10132	20.0
135.08041	27.2
135.11670	2.6
139.00601	1.9
139.11179	5.0
141.01003	15.0
143.08446	2.1
145.10086	9.2
147.11670	11.0
149.09607	7.4
151.11124	2.0
155.02571	6.6
155.08630	1.4
159.11722	5.7
159.48108	1.5
161.13254	1.9
163.11139	4.0
173.09607	4.1
173.13258	2.7
183.11815	1.8
183.13773	3.1
197.07263	51.4
203.12830	5.0
219.13795	1.7
224.23813	1.8
225.06827	2.1
239.17972	2.9
247.20520	4.4
257.18948	6.1
275.20032	72.7
293.21118	17.9
294.10028	15.8
294.21735	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	4.2
55.01873	13.1
55.05508	100.0
56.84886	2.6
57.03426	10.1
57.07077	20.4
59.04981	2.8
67.05502	34.1
69.03421	6.3
69.07062	90.6
69.80861	4.5
69.81281	10.9
70.07845	6.2
79.05485	42.6
81.07050	25.4
83.04969	7.2
83.08612	55.1
83.27899	2.2
85.06519	5.9
91.05469	19.3
93.07043	24.2
95.04961	12.2
95.08593	12.8
97.06508	7.0
97.10165	93.5
99.00019	2.7
105.07024	15.1
107.04973	3.9
107.08586	39.0
109.06502	5.0
109.10153	9.0
111.08038	3.6
115.07555	24.6
117.06990	11.0
119.08575	11.5
121.10120	12.3
123.11736	2.7
125.09621	83.4
126.99445	9.2
129.00975	13.4
131.08577	14.7
133.10091	10.9
135.08025	9.7
135.11678	4.3
139.11171	3.4
141.00993	12.2
143.08626	3.1
143.10712	5.2
145.10117	7.2
147.07942	2.6
147.11655	6.3
149.09645	7.3
153.09097	5.6
155.02548	3.2
157.85010	2.6
159.11623	3.4
161.50188	2.5
164.06831	2.5
171.10231	3.4
189.09564	5.4
189.11206	66.5
189.12930	4.2
197.07260	44.8
197.08997	4.0
225.06744	3.6
250.66689	2.6
257.18909	5.3
270.67813	2.6
275.20084	40.0
279.93280	2.6
293.21060	28.5
294.09991	15.1
299.49557	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.02369	0.6
53.03926	1.5
55.01867	3.8
55.05263	0.9
55.05507	12.0
57.03417	1.9
57.07061	3.8
59.04997	0.7
65.03924	1.6
67.05498	24.6
67.05859	1.2
69.03413	1.4
69.07062	29.4
70.01372	3.2
70.07831	0.7
71.04961	2.2
71.62151	0.6
73.01633	0.7
79.05485	16.7
81.03391	1.3
81.07050	27.0
83.04984	6.7
83.08602	4.8
85.06534	2.0
91.05470	16.6
93.07043	20.1
95.04959	7.4
95.08598	18.6
97.06529	3.6
97.10151	1.9
98.45927	0.7
99.00004	0.8
105.07021	21.9
107.04969	5.9
107.07870	0.8
107.08583	13.0
109.06509	10.7
109.10148	10.0
111.08054	1.7
115.05365	0.9
115.07553	2.4
115.87048	0.9
117.07005	6.1
119.07788	1.2
119.08569	13.4
121.06485	8.0
121.10123	7.5
123.08038	3.9
123.11679	2.6
129.01028	1.6
129.07033	1.8
131.08556	10.5
133.06476	2.5
133.10121	17.7
135.08037	3.8
135.11673	5.7
137.09615	1.8
141.01009	1.6
141.06999	1.2
143.08572	2.3
145.06470	1.6
145.10114	10.1
147.08047	3.7
147.11667	11.6
149.09627	5.9
149.13254	2.0
151.11186	7.3
153.09167	0.8
155.08551	1.9
157.10089	3.2
159.08009	1.7
159.11655	7.9
161.09601	1.9
161.13252	2.5
163.11131	4.2
169.10031	1.5
171.11664	2.3
173.09560	2.1
173.13190	4.2
175.11191	2.4
177.12747	1.7
183.11682	2.1
185.13246	0.7
187.11166	2.6
187.14795	0.9
191.14302	3.2
197.07271	5.6
197.13271	1.3
201.12747	3.0
207.13799	2.9
210.18752	0.7
212.88197	0.9
215.14339	0.9
215.17889	1.3
219.13832	6.2
229.19444	2.3
230.15956	0.7
231.17406	1.6
233.18837	0.9
237.14758	0.8
239.17899	2.8
247.20605	3.6
257.18988	15.1
265.21542	0.9
275.20035	100.0
276.20392	2.1
293.21075	24.8
294.09973	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03944	4.8
54.76432	1.6
55.01863	5.6
55.05508	26.8
57.03438	2.5
57.07072	26.5
67.05500	40.2
69.03425	2.7
69.07064	100.0
69.53404	15.7
70.07846	4.9
71.04990	4.5
74.69856	1.8
79.05487	35.1
81.03410	6.0
81.07050	76.4
83.04941	5.5
83.08616	15.2
85.06506	3.6
91.05478	25.9
93.07044	26.9
95.04967	18.2
95.08595	30.0
96.13834	1.9
97.06528	6.3
97.10181	2.9
99.00007	3.0
102.11534	2.0
104.71201	1.6
105.07037	28.7
107.04948	5.8
107.08583	19.6
109.06506	20.1
109.10136	22.1
111.08080	5.0
113.01611	2.0
113.09625	2.0
115.07571	21.7
117.07041	9.0
119.08583	33.6
119.46193	1.6
121.06486	5.1
121.10145	14.4
123.08067	8.3
123.11707	7.0
125.09674	1.9
126.99476	6.7
127.66659	1.8
129.01025	12.4
129.06979	3.6
131.08575	11.2
133.10114	22.6
135.08051	7.8
135.11697	5.4
137.09601	8.2
141.01004	17.3
143.08530	3.9
144.12000	1.9
145.10149	9.6
147.11647	13.3
149.09616	9.4
149.13278	3.8
151.11169	5.9
155.02599	5.2
157.10135	3.3
159.11633	8.4
161.09613	3.3
161.13315	3.6
163.11169	6.0
173.13263	5.2
175.11203	2.1
177.12755	2.2
183.11761	2.8
193.12184	2.3
197.07269	57.9
197.13345	3.2
201.12798	2.1
223.13297	4.1
225.06783	4.3
229.19536	2.3
239.17973	4.0
247.20551	4.7
257.19025	7.2
275.20044	53.8
293.17865	1.9
293.21136	39.9
294.10046	16.6
300.97766	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	6.0
53.92138	2.3
55.01872	23.8
55.05506	39.8
57.03432	2.5
57.07071	29.1
58.99832	2.0
59.04979	2.2
63.54356	2.2
65.03918	3.4
67.05502	49.8
69.03420	4.1
69.07062	100.0
70.06219	13.4
70.07840	2.5
71.04990	4.8
71.08263	2.4
71.08627	6.9
73.21417	2.3
78.63157	2.5
79.05485	52.3
79.05943	2.8
81.03423	17.2
81.07050	47.7
83.04970	7.8
83.08607	12.2
85.06535	4.1
91.05468	40.3
93.07030	39.1
95.04976	21.7
95.08598	31.9
97.06530	22.4
97.10170	15.4
97.36049	2.1
99.08083	8.6
105.07024	43.3
107.04935	11.9
107.08585	78.9
109.06503	10.8
109.10138	14.0
111.04457	2.2
111.08089	3.5
113.09820	2.5
115.07554	21.1
117.06989	13.2
118.97773	2.7
119.08558	20.8
121.06495	5.1
121.10132	17.6
123.08044	5.4
123.11704	6.3
125.09592	14.3
125.11660	2.4
126.99438	6.9
129.01012	11.2
129.06966	2.3
131.08531	16.7
133.06427	3.1
133.10110	23.6
135.08017	9.5
135.11676	7.1
137.05934	7.3
137.09581	4.2
141.01033	12.6
143.08521	2.9
145.10100	18.3
147.11659	17.4
149.09624	21.2
149.13333	3.2
151.11162	41.4
152.70866	2.7
153.12730	2.5
155.02551	6.4
155.08469	2.3
157.10059	4.5
159.11694	15.1
161.09604	3.6
161.13177	2.8
163.11169	6.2
165.09120	6.9
165.12695	2.5
169.10164	3.2
173.13318	5.3
175.11179	6.0
176.08609	2.4
177.12753	6.9
181.12218	3.4
189.11235	9.9
191.14218	3.4
197.07259	52.6
197.08978	3.8
225.06731	3.6
227.19873	2.3
229.19527	5.6
239.17888	4.1
247.20491	8.6
257.19061	14.7
275.20035	98.2
276.20453	5.2
293.21130	36.0
294.10034	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03931	3.6
55.01865	11.3
55.05506	14.6
57.03421	2.7
57.07072	12.1
65.03921	1.6
67.05168	2.0
67.05499	27.0
69.03407	2.8
69.07063	100.0
70.07849	2.7
70.85188	2.3
70.85589	2.3
71.04999	5.5
79.05488	28.8
81.03403	12.5
81.07051	27.6
83.04967	6.5
83.08623	5.9
83.66227	1.0
85.02896	1.6
85.06545	2.6
91.05469	19.4
93.07039	28.2
95.04960	81.7
95.08607	18.4
97.06532	11.0
97.10133	5.9
98.99981	1.7
99.08060	1.7
103.52766	1.2
105.07026	16.5
107.04946	12.5
107.08585	16.9
109.06506	7.8
109.10154	7.5
111.08074	2.1
115.07549	10.1
117.06990	8.4
119.08574	12.7
121.06506	5.4
121.10126	13.6
123.08053	6.1
125.09643	2.0
126.99456	3.1
128.99611	1.1
129.01013	4.9
129.06963	2.1
131.08545	10.3
133.10115	10.9
135.08037	18.8
135.11688	5.3
137.09605	4.2
139.11168	4.8
141.00984	5.8
143.08566	1.1
145.10129	7.0
147.08092	1.7
147.11664	6.2
149.09610	9.2
149.13148	1.0
151.11125	5.4
155.02625	2.7
157.10130	1.9
159.11699	7.6
161.09593	3.5
161.13261	2.0
163.11183	3.5
164.32932	1.0
171.11691	2.3
173.13245	5.9
175.14764	1.1
177.12715	10.2
183.11662	3.0
187.11252	1.4
191.14304	1.7
197.07263	24.0
201.12782	2.8
203.12772	4.2
207.13757	7.4
219.13834	5.0
225.06725	1.7
225.14854	4.5
237.14841	35.5
239.17947	1.9
247.20630	3.3
251.16432	1.9
257.18985	4.8
275.20050	46.0
276.20459	1.3
293.21097	69.3
294.10010	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03943	4.2
55.01877	13.3
55.05505	72.4
57.03430	3.9
57.07069	32.7
67.05496	41.8
69.03402	2.6
69.07060	92.2
69.72339	7.3
69.72755	5.8
70.07842	5.6
71.04977	5.5
76.26632	2.0
79.05487	58.1
81.03413	9.2
81.07047	40.9
83.04971	9.7
83.08612	37.2
83.09095	2.3
85.02887	4.8
91.05465	33.2
92.05752	2.4
93.07027	42.1
95.04959	94.3
95.08600	20.0
96.05293	2.7
97.06516	6.5
97.10155	36.8
99.00010	2.9
99.08080	2.8
105.07013	29.8
107.04949	20.0
107.08582	51.8
109.06516	9.5
109.10143	15.1
111.04453	5.5
111.08083	7.2
115.07548	22.9
117.06299	2.6
117.07041	8.5
119.08556	20.5
121.06496	8.4
121.10141	18.6
123.08063	5.5
123.11699	2.6
125.09612	29.6
126.99469	7.6
129.01028	9.0
131.08565	21.2
133.10110	18.6
135.08044	7.6
135.11684	10.4
137.09616	2.5
141.00983	12.3
143.08536	3.4
145.10104	21.9
147.08014	5.0
147.11664	13.0
149.09608	68.9
149.13300	3.5
151.11154	4.9
155.02544	5.7
159.11681	10.8
161.13185	3.5
163.11162	29.5
165.09079	2.8
171.11644	2.4
173.13228	3.6
175.11263	2.6
177.12750	4.6
178.04671	2.2
178.23645	2.0
179.10374	2.0
183.11879	3.0
187.11205	5.1
189.11188	19.9
191.10744	2.9
195.10135	2.1
197.07259	54.0
205.12282	7.2
209.11748	6.3
215.17886	2.9
223.13269	40.1
225.06642	5.2
229.19524	7.7
237.11206	4.3
239.17960	7.0
247.20551	3.7
257.18991	13.0
275.20047	100.0
276.20181	2.9
288.96106	2.2
293.21078	67.8
294.10013	20.2
294.21347	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	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03933	8.1
55.01859	11.1
55.05507	73.3
57.03421	3.2
57.07078	19.1
59.37056	2.6
67.05166	4.3
67.05498	48.2
69.03417	6.1
69.07065	60.4
70.07825	3.6
71.04977	6.0
71.08619	4.1
71.12849	7.6
74.23536	2.7
74.82693	2.8
78.08562	2.4
79.05486	86.5
81.03417	5.5
81.07050	46.0
83.04971	12.0
83.08611	29.7
85.06544	3.4
91.05478	37.3
93.07034	47.9
95.04950	19.0
95.08617	19.2
97.06517	10.3
97.10150	30.2
99.08092	5.5
105.07017	35.5
107.04266	5.1
107.04943	47.6
107.08589	66.1
109.06525	7.7
109.10150	26.9
111.08070	8.0
115.05412	3.5
115.07553	15.4
117.07008	10.2
119.08565	27.2
121.06522	3.0
121.10114	17.6
123.08060	4.7
123.11691	8.0
125.09624	28.3
126.99471	5.2
129.01042	10.3
131.08542	14.9
133.10136	23.3
135.08038	11.8
135.11707	6.2
141.01015	7.7
143.08557	3.6
145.10115	12.9
147.11693	14.9
149.09602	78.8
149.13155	4.0
151.11150	9.2
153.09100	7.7
155.10757	3.1
159.11702	8.6
161.13242	3.3
163.11197	8.6
171.11758	2.9
173.11813	3.6
173.13269	4.4
175.91818	3.3
177.12723	16.4
187.11259	3.3
187.13272	3.6
189.11201	23.9
191.10693	3.7
197.07265	34.5
216.35432	2.8
229.19522	10.0
237.11279	5.4
239.18170	3.2
247.20631	4.3
257.19012	26.7
275.20065	100.0
293.21115	24.6
294.10065	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.28094	0.3
53.03939	0.4
55.01860	0.7
55.05512	3.3
57.03411	0.4
57.07070	8.1
61.00723	0.3
65.03918	0.5
67.05502	4.4
69.07063	19.2
69.93304	1.5
70.07827	1.4
71.04980	0.7
71.08614	1.4
79.05489	3.9
81.03411	2.2
81.07046	4.1
83.04958	1.0
83.08608	1.0
85.06516	0.5
91.05477	2.9
93.07031	2.7
95.04966	7.6
95.08597	2.4
97.06500	0.9
97.10142	0.7
99.00009	0.5
99.08077	0.9
105.07021	2.0
107.04945	3.4
107.08584	1.8
108.05730	1.9
109.06522	2.3
109.10126	1.1
110.29507	0.4
111.04428	0.8
113.01585	0.4
115.07552	5.4
117.07018	0.8
119.08571	1.4
121.06482	6.4
121.10128	1.2
122.07275	0.3
123.08087	0.5
125.09550	0.5
126.99447	1.9
129.01010	3.1
131.08559	1.0
133.10127	1.3
135.08018	1.1
135.11639	0.4
137.09528	0.4
141.01009	3.2
145.10130	1.0
147.11694	0.8
149.09625	1.0
151.11201	2.5
153.05449	0.5
155.02487	1.6
161.09563	0.8
163.11143	0.6
164.12007	0.8
165.12755	3.7
177.12741	1.3
181.04918	0.7
187.11220	0.4
191.10713	0.5
191.14407	0.5
192.10133	0.4
195.10112	0.4
195.11816	0.4
197.07281	12.9
209.11786	1.8
223.13356	1.5
225.06778	0.9
237.11192	3.4
237.14920	1.1
257.18887	0.5
275.20074	3.0
286.10611	0.3
293.21082	100.0
294.10037	5.4
294.21484	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	6.1
55.01868	5.7
55.05503	28.9
57.03435	3.5
57.07071	11.7
67.05161	4.2
67.05501	52.3
69.03427	2.5
69.07060	53.8
70.64729	7.1
71.04993	5.1
71.66775	2.4
79.05486	46.8
81.03402	9.1
81.07050	100.0
83.04964	5.7
83.08621	11.7
91.05480	33.8
93.07041	31.9
95.04944	20.5
95.08602	36.2
97.06534	7.8
97.10187	4.0
99.08056	2.6
102.90295	2.1
103.05486	2.9
105.07023	33.6
107.04965	10.6
107.08588	18.9
109.06501	27.7
109.10162	14.1
111.08073	6.4
115.07585	6.7
117.07023	8.6
119.08573	33.0
121.06503	3.3
121.10130	15.3
123.08032	14.0
123.11687	6.7
125.09595	4.0
126.99435	2.6
129.01015	6.3
129.07007	4.1
131.08560	14.6
133.10147	22.1
135.08072	7.3
135.11708	8.3
136.13976	2.1
137.05983	3.9
137.09625	9.3
139.53535	2.3
141.01045	5.3
145.10135	12.3
146.74019	2.5
147.08043	4.0
147.11685	15.6
149.09604	11.6
149.13322	4.6
151.11148	7.1
154.94145	2.4
157.10167	4.7
159.11722	8.7
161.13257	3.8
163.11200	9.3
165.12726	6.0
171.11682	4.0
172.51535	2.3
173.13300	6.2
175.11208	3.4
193.12230	2.7
196.60344	2.4
197.07280	18.9
197.13428	3.9
201.09653	2.6
223.13339	4.7
239.17847	5.8
247.20526	6.8
257.19031	7.2
275.20032	63.3
293.21091	35.2
294.09973	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.72884	0.9
53.03937	1.9
55.01871	5.0
55.05259	1.4
55.05503	19.0
56.96555	7.8
56.99617	1.1
57.03428	1.9
57.07070	30.2
61.02889	1.0
64.77994	1.3
65.03933	1.2
67.05162	1.7
67.05498	21.6
69.03392	1.7
69.07059	100.0
69.34478	10.0
70.07839	6.2
71.04979	1.2
71.08612	1.4
79.05486	31.7
81.03413	5.6
81.07052	16.8
83.04976	4.6
83.08604	11.0
85.02880	2.0
85.06533	1.6
91.05469	17.8
93.07031	14.8
95.04964	9.9
95.08595	15.0
96.08981	1.3
97.02861	3.6
97.06508	4.1
97.10159	11.1
98.97560	4.4
98.99995	3.4
105.07019	18.6
107.04943	6.4
107.08583	59.3
109.06478	5.3
109.10143	5.4
111.04423	1.0
111.08065	2.2
112.99129	1.0
113.01584	2.3
115.07555	30.4
116.06243	1.1
116.98590	4.1
117.07005	3.5
119.08591	9.3
121.06482	5.0
121.10099	6.6
123.08045	2.0
123.11681	1.6
125.09617	10.7
126.99454	9.8
127.03024	1.2
129.01022	14.1
129.06995	1.6
131.00165	1.9
131.08548	6.4
133.10123	12.2
134.99681	2.0
135.08049	2.6
135.11662	2.3
137.09622	2.0
139.00519	1.1
139.11156	2.1
141.01013	20.8
141.06833	1.0
143.08516	1.3
143.10622	1.2
145.10126	7.8
146.99683	1.3
147.03076	1.4
147.11644	7.6
149.01183	6.3
149.09604	9.3
151.11142	3.6
153.08957	1.0
153.12698	1.0
155.02551	6.7
156.03571	1.8
157.10106	2.3
159.11664	3.6
161.09659	1.7
161.13234	1.7
163.11183	3.4
167.02284	2.3
173.13252	1.5
175.11050	1.4
177.00722	2.8
177.12718	1.9
181.12236	1.2
183.11609	1.0
186.07239	1.0
189.11203	8.1
197.07266	83.7
205.12341	1.3
212.10693	4.9
212.60849	1.4
221.11136	2.8
221.61472	1.9
223.07237	1.8
225.06808	4.5
229.07343	1.1
229.19423	1.8
232.07805	1.8
232.61940	2.1
239.17963	3.0
247.20547	1.9
257.19098	5.9
267.09299	1.3
275.20053	37.7
275.23132	1.9
293.13226	10.8
293.21078	36.5
293.27798	2.0
293.63464	3.9
294.10013	27.0
294.21307	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	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90043	2.4
71.45116	3.2
119.01902	8.8
131.01900	5.4
143.01866	6.2
143.76163	2.5
149.01175	3.1
161.02974	18.0
173.02971	7.2
203.04129	5.4
223.25269	2.4
293.06314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	14.7
69.57081	19.4
69.57493	11.0
98.21412	8.3
98.97578	8.9
102.94868	3.5
112.99127	25.7
115.02370	6.4
116.98597	5.8
119.01908	7.3
125.98457	3.6
128.98662	7.7
131.00148	46.5
133.03470	33.0
149.01192	36.4
151.04536	5.5
159.05011	25.8
161.02943	9.3
167.02318	4.8
173.02921	5.7
174.99165	11.3
175.02974	4.0
177.06064	11.2
191.02159	4.0
193.00244	13.2
193.03877	15.4
195.07216	9.2
201.05998	5.5
211.04936	11.5
219.80153	3.8
221.08806	5.2
231.07091	18.9
234.81209	4.3
275.06204	12.4
293.06290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1163
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
53.03928	1.4
55.01864	3.4
55.05506	1.5
57.07071	3.3
58.63001	0.5
59.19163	0.5
60.04491	0.9
61.01145	12.9
69.03443	0.5
69.07059	12.6
70.02923	1.1
70.06573	2.1
70.07826	0.7
70.19108	2.3
71.04993	0.9
71.06116	1.2
72.04511	14.5
72.08149	1.0
73.02911	2.4
77.00616	1.3
78.03784	27.6
81.03398	2.1
81.07037	1.4
83.04949	2.1
84.08134	1.7
85.02896	18.0
86.06049	4.7
86.09702	1.5
93.07040	0.6
98.02420	0.9
98.06038	1.1
99.04446	13.6
102.03758	41.7
103.02173	5.1
103.03935	31.7
104.01678	1.4
109.02859	6.2
110.06106	0.6
110.07140	0.6
110.49289	0.6
112.07541	0.7
114.03720	3.5
114.05515	2.6
115.02161	0.7
115.05059	1.0
115.07574	3.9
115.08676	1.4
116.03429	0.9
117.82692	0.6
118.03222	1.5
120.04790	9.4
120.08065	1.2
126.05505	33.1
126.99477	0.9
127.03024	0.4
127.03895	10.0
129.01007	2.1
129.10205	1.0
131.06378	20.1
132.04778	16.3
132.05515	0.3
136.07483	0.9
139.11852	0.7
141.00986	2.4
141.06540	1.0
145.04941	0.8
147.05849	1.7
149.07426	100.0
150.07753	0.9
152.07065	4.0
154.08588	4.3
155.02481	0.7
156.06506	1.4
158.01337	0.7
158.02718	1.7
174.07706	0.9
175.05380	4.4
180.06543	27.4
186.05846	0.7
191.08443	0.8
197.07253	8.2
198.07608	8.5
204.06911	0.7
216.08615	3.3
222.07883	1.4
231.11586	7.6
233.09541	1.6
257.09564	3.2
275.10583	4.5
275.20557	0.7
293.11630	67.2
294.09695	3.1
303.04712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13828	1.1
53.03936	5.5
54.15332	1.0
55.01857	4.0
55.05507	24.9
57.03450	1.4
57.07070	6.8
59.04990	1.2
65.03942	1.8
66.47572	1.2
67.05499	45.9
69.03421	1.9
69.07061	18.0
70.95689	3.1
71.04993	2.5
73.06540	1.4
77.03889	1.8
79.05488	80.0
81.03403	1.7
81.07050	49.4
82.07345	1.3
83.04978	4.1
83.08613	9.7
85.06519	3.6
91.05474	31.5
93.07038	100.0
94.07349	1.4
95.04958	10.7
95.08601	36.5
97.06519	3.1
97.10159	5.7
105.04524	2.0
105.07020	25.1
107.04968	4.0
107.08587	56.3
108.08920	1.5
109.06504	6.0
109.10134	15.7
111.08092	4.5
117.07018	6.6
119.08564	19.0
121.06509	4.0
121.10135	43.6
123.08067	5.7
123.11702	4.2
125.09628	3.0
129.06956	3.0
131.08560	8.2
133.06458	1.9
133.10135	18.1
135.08052	6.6
135.11682	49.2
137.09607	4.1
139.11205	1.5
143.08569	3.0
145.10121	9.0
147.08038	4.3
147.11684	14.4
149.09596	6.9
149.13254	28.9
151.07478	6.4
151.11162	3.2
157.10124	4.7
159.11626	6.0
161.09630	5.1
161.13275	8.3
163.11153	4.7
163.14812	10.0
165.09142	1.8
171.11710	4.6
173.09651	1.6
173.13303	2.7
175.11223	3.6
175.14813	5.2
177.12694	3.5
181.12234	1.7
185.13258	5.3
185.38223	1.4
189.12752	4.4
199.14821	2.6
203.14351	3.1
207.13821	3.7
209.15436	2.0
213.16302	3.0
217.15927	3.1
217.19582	2.5
227.17989	1.4
231.17473	1.9
231.20970	1.9
233.15343	2.5
235.16948	2.7
241.19518	4.9
245.19009	4.2
249.18547	3.5
256.25360	1.6
259.20557	7.3
263.20111	2.0
273.18463	11.1
291.19559	44.2
291.23172	52.7
292.19861	1.7
292.23239	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.76168	1.7
53.03935	6.6
55.01860	2.9
55.05505	31.5
57.03412	1.6
57.07063	4.5
59.04982	1.6
65.03939	2.0
67.05498	42.5
69.07060	19.1
69.39062	14.8
69.39356	1.3
71.04993	2.2
72.86015	1.4
73.06548	1.4
79.05489	77.9
80.05826	1.7
81.07050	58.1
83.04974	3.6
83.08614	12.5
85.06534	3.2
86.60538	1.5
91.05473	35.9
93.07037	100.0
93.67633	1.4
95.04967	10.6
95.08599	39.1
97.06507	4.1
97.10146	4.9
105.07030	23.2
107.04946	3.4
107.08586	61.9
109.06494	6.5
109.10152	18.4
111.08048	1.9
117.06994	5.4
119.08574	18.7
121.06478	3.2
121.10133	41.8
123.08028	4.2
123.11695	3.6
125.09593	3.1
129.06982	2.9
130.89232	1.9
131.08578	8.1
133.03499	1.5
133.06470	2.4
133.10104	17.1
135.08061	5.4
135.11684	63.7
137.09627	4.2
143.08542	4.9
145.10136	7.1
147.08028	2.1
147.11670	12.6
149.09589	8.2
149.13243	33.1
151.07541	4.8
151.11189	1.9
156.09297	1.6
157.10114	3.7
159.11676	6.4
161.09573	1.8
161.13226	12.7
163.11148	5.6
163.14815	12.0
171.11678	4.7
173.09572	2.5
173.13197	4.7
175.11179	4.4
175.14824	6.5
177.12692	3.1
185.13220	4.6
189.12685	3.7
191.10663	7.4
199.14847	3.4
203.14185	1.9
207.13780	4.7
213.16310	2.4
217.19508	5.2
221.15366	3.0
231.21086	3.5
233.15382	2.4
235.16882	3.7
241.19511	5.7
249.18504	4.5
259.20639	8.0
273.18445	2.6
291.19556	25.5
291.23141	52.4
292.23618	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	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03923	5.0
55.05509	19.5
56.77098	1.5
57.03423	1.5
57.07063	2.6
64.47632	1.9
67.05167	2.7
67.05502	40.0
69.07056	15.7
70.86115	2.1
70.86423	2.3
77.92287	1.4
79.05489	74.5
81.07053	52.9
83.04929	2.2
83.08622	8.6
85.06543	3.8
91.05470	34.3
93.07037	100.0
95.04946	8.2
95.08598	36.0
97.06531	3.3
97.10160	4.6
98.20514	1.5
105.04514	2.3
105.06384	1.9
105.07023	20.6
107.08587	61.8
109.06497	2.5
109.10171	11.8
117.06995	3.1
119.08571	17.6
121.10135	43.9
123.08028	2.7
123.11652	1.9
125.09670	2.1
129.06982	2.7
131.08543	5.6
133.10126	12.6
135.10677	3.0
135.11691	53.8
137.09563	1.9
143.08505	2.7
145.10106	4.4
147.11687	10.2
149.09610	2.6
149.13252	39.7
151.11150	2.0
152.34648	1.6
157.10152	2.7
159.11717	4.5
161.13261	8.4
163.11174	5.9
163.14795	12.1
171.11621	4.1
173.13232	4.0
175.11206	1.8
175.14861	3.9
177.12723	3.5
185.13252	3.0
199.14841	2.0
209.15350	2.7
213.16393	2.4
217.19591	2.5
221.15338	2.5
235.16856	2.4
241.19495	5.0
259.20581	10.3
291.19904	3.5
291.23154	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03929	0.9
55.01870	2.3
55.05508	7.7
56.96557	0.2
57.03414	0.4
57.07064	0.5
57.44374	0.2
59.04991	0.2
59.52573	0.2
65.03922	0.4
67.05501	4.5
69.03431	1.2
69.07066	3.1
70.07050	0.9
71.04975	0.9
79.05488	7.1
80.97290	0.2
81.03444	1.0
81.07050	6.3
83.04957	1.3
83.08611	4.0
85.06524	0.4
91.05478	6.0
92.06276	0.3
93.07037	5.8
94.04179	0.5
95.04968	3.2
95.08601	2.5
97.06523	0.6
97.10165	3.0
98.21405	0.3
103.05463	0.4
105.03350	0.4
105.04538	0.3
105.07021	6.6
107.04951	3.4
107.08591	2.9
108.05711	0.5
109.06525	1.2
109.10184	1.4
111.08061	0.5
115.05444	0.8
116.06207	0.4
117.06988	2.3
119.04935	1.8
119.08577	4.5
120.05689	0.6
121.06509	2.1
121.10158	1.3
123.08039	1.1
123.11691	0.3
125.09660	1.3
128.06201	0.5
129.07011	1.6
130.07780	0.7
131.08549	2.6
133.06485	3.8
133.10129	1.6
134.07268	1.0
135.08009	1.4
135.11678	0.6
137.09624	0.4
142.07719	0.3
143.08507	1.3
145.06461	0.4
145.10136	2.2
147.08025	3.5
147.11684	0.6
149.09604	1.3
149.13228	0.3
151.07475	0.2
153.09169	0.2
157.10110	0.7
159.08034	0.3
159.11697	0.4
161.09613	1.2
162.10399	1.6
163.11166	0.9
165.09137	0.3
171.11639	0.5
173.13284	0.3
175.11172	1.0
185.13156	0.2
187.11034	0.2
189.11140	0.3
189.12645	0.4
223.13193	1.1
241.13257	0.2
245.18872	0.3
249.14896	2.3
249.18483	0.3
255.17506	0.3
261.14743	0.3
262.15549	0.5
263.54089	0.2
273.18518	3.1
284.96066	0.2
291.19516	100.0
292.19843	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.46766	0.4
53.03941	1.2
55.01869	2.5
55.05257	0.7
55.05508	8.9
57.03423	1.5
57.07058	1.3
59.05006	0.6
65.03921	0.7
67.05505	6.2
69.03414	0.9
69.07062	5.0
71.04970	1.0
71.45346	0.8
71.45678	0.4
79.05058	0.5
79.05493	9.3
81.03433	1.0
81.07056	8.3
83.04975	1.1
83.08615	4.1
85.06506	1.0
91.05476	7.5
93.06473	0.5
93.07042	9.1
95.04972	3.4
95.08598	3.5
97.06528	0.8
97.10168	4.6
97.96911	0.4
105.07022	6.7
107.04948	2.9
107.08598	4.8
107.58779	0.4
107.74782	0.4
108.05757	0.5
109.06509	1.6
109.10139	1.3
111.08066	1.4
111.11694	0.5
117.07019	2.9
119.04908	1.9
119.08585	5.8
121.06496	1.6
121.09468	0.4
121.10149	3.2
123.04389	0.5
123.08070	2.2
123.11713	0.6
125.09634	1.1
128.06195	0.7
129.06973	1.5
130.07799	0.8
131.08566	3.8
133.06482	3.4
133.10132	2.1
134.07257	1.0
135.08083	2.0
135.11676	1.8
137.09644	0.8
143.08562	1.3
145.06445	0.7
145.10136	3.1
147.08020	4.1
147.11662	1.2
149.09621	1.6
149.13213	0.7
151.07547	0.8
157.10110	1.8
159.11697	1.1
161.09589	1.6
161.13260	1.0
162.10371	1.4
163.11171	1.4
163.14781	0.7
165.09085	0.5
171.11652	0.9
175.11200	1.4
185.13193	0.4
189.11151	0.5
189.12709	0.7
207.13773	1.1
217.15944	0.5
217.19513	0.4
217.42186	0.5
223.13278	1.7
232.93533	1.1
235.17090	0.5
245.18797	0.4
246.95236	0.7
249.14798	2.3
249.18500	0.7
255.17450	0.5
259.20621	0.5
261.14862	0.8
262.56906	0.5
273.18512	4.5
279.59314	0.5
291.19534	100.0
292.19876	1.6
302.97525	0.8
309.61234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03933	2.5
55.01866	4.9
55.05266	1.0
55.05506	12.5
56.96548	2.6
57.03414	2.9
57.07064	2.0
59.04983	2.1
65.03931	2.0
65.62603	0.8
65.62987	0.8
67.05498	11.6
68.56808	0.9
69.03416	6.6
69.07059	17.9
69.50668	0.9
70.06564	1.2
70.23798	2.1
71.04958	3.0
72.93764	1.1
79.05482	22.6
81.03389	3.3
81.07047	26.4
83.04977	5.5
83.08595	8.1
83.92564	0.8
85.02888	1.9
85.06522	2.9
91.05467	17.8
93.07032	30.5
95.04944	6.5
95.08598	15.5
97.02869	1.2
97.06525	8.0
97.10135	3.9
98.97565	0.9
99.08066	1.2
103.05418	1.3
105.07013	23.2
107.04931	6.9
107.08575	24.8
109.02871	2.7
109.05781	1.8
109.06503	31.0
109.10152	8.3
111.04454	1.3
111.08033	3.8
111.11686	3.9
115.05457	2.4
116.98596	1.3
117.06980	5.9
119.04931	1.1
119.08559	12.5
121.06502	4.7
121.10130	45.2
123.08048	7.4
123.11679	3.8
125.09605	9.1
129.06967	2.7
130.07710	1.0
131.08542	11.3
133.06476	4.3
133.10094	4.8
135.08029	16.0
135.11650	3.6
137.09616	4.5
137.13231	1.2
139.11169	4.1
141.06953	1.2
143.08521	3.8
144.09196	1.0
145.10077	7.9
147.08057	4.2
147.11673	6.8
149.09601	16.3
149.13214	2.5
151.07520	5.8
151.11168	0.9
153.05402	1.2
153.06854	0.9
155.08566	1.0
155.10666	0.9
157.10104	8.1
159.07993	3.7
159.11623	3.4
161.09535	4.1
161.13229	1.6
163.11148	2.5
163.14825	1.5
167.10652	100.0
169.10112	1.7
171.11655	3.4
173.09578	2.3
173.13251	6.8
174.10300	1.3
175.11205	5.9
181.10229	1.0
183.11754	1.1
185.09567	0.9
185.13237	1.4
187.14763	1.5
189.12744	4.3
191.10670	9.3
191.14294	6.1
193.12291	1.0
197.13196	3.3
199.11133	1.5
199.14890	1.1
207.13760	3.3
213.16370	2.3
215.14307	6.2
217.12183	3.0
217.15807	2.6
227.14262	0.9
231.17351	2.3
233.13312	0.7
233.15312	16.6
237.16516	1.0
245.18811	1.4
249.18449	1.1
255.17375	3.9
259.07379	1.2
273.18420	15.9
291.09967	2.5
291.16342	1.5
291.19470	36.0
291.22784	2.0
291.26682	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03942	6.8
55.01867	22.5
55.05262	1.7
55.05507	22.0
57.03430	12.8
57.07055	1.5
65.03925	4.2
67.05174	2.5
67.05500	31.2
69.03399	4.3
69.07068	15.0
69.98503	7.1
71.04966	3.9
74.54961	1.2
79.05486	56.2
81.03419	7.2
81.07052	42.6
83.01276	1.8
83.04965	7.0
83.08604	8.4
85.06517	5.0
91.05474	45.3
93.06461	3.0
93.07035	36.6
95.04965	16.5
95.08601	23.8
97.06544	7.2
97.07063	1.3
97.10158	3.9
98.21440	2.2
99.04441	1.3
99.08066	2.9
99.24944	1.4
100.74794	1.4
101.62112	1.4
103.05419	2.1
104.10732	1.9
105.07027	29.5
107.04946	38.0
107.08588	29.2
109.06510	61.0
109.07255	3.3
109.10164	10.0
111.04445	1.4
111.08051	4.1
113.05966	1.9
115.05424	4.0
116.06220	2.3
117.07012	21.6
119.04909	2.1
119.08572	23.5
121.06478	14.6
121.10127	10.1
123.04444	1.3
123.08043	10.7
123.11674	1.6
125.09616	4.7
128.06282	2.3
129.07010	11.3
130.07808	1.6
131.08553	23.2
133.06467	8.9
133.10106	12.0
135.08046	87.4
135.11655	5.5
137.09671	3.3
141.06921	1.6
141.43651	1.3
142.07736	2.0
143.08549	8.3
145.06496	1.7
145.10104	17.7
147.08026	10.7
147.11679	6.0
149.08411	1.8
149.09602	22.6
149.13222	3.2
151.07500	2.3
151.11156	3.8
155.08664	1.5
157.10094	8.9
159.08041	2.8
159.11649	8.4
161.09613	13.7
161.13235	1.8
163.11157	4.5
165.09073	1.5
167.10757	1.6
171.11664	6.2
171.18951	1.3
173.09654	2.2
173.13298	2.8
175.11188	6.6
177.12730	2.1
179.10736	1.7
181.10130	2.4
183.11662	2.5
185.09564	1.6
185.13298	4.5
187.11234	2.1
189.11229	2.1
189.12724	3.5
195.11749	2.6
199.11093	3.1
199.14763	3.0
207.13707	2.1
217.12355	2.7
217.15887	15.9
227.17921	3.0
239.13655	1.9
245.19006	6.2
249.14803	3.5
255.17442	6.2
263.20050	4.0
273.18469	41.2
291.19522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03927	5.0
54.28537	1.5
55.01868	12.0
55.05511	22.9
56.96566	2.1
57.03432	9.9
57.07066	2.6
64.73454	1.3
65.03922	3.7
67.05502	44.7
69.03415	5.5
69.07059	9.0
69.75653	1.8
69.94448	8.4
71.04966	5.3
79.05488	66.6
81.03409	6.5
81.07051	100.0
83.04978	8.1
83.08593	8.2
85.06528	3.2
91.05476	33.2
93.07040	26.7
95.04960	47.2
95.08605	16.0
95.86483	1.6
97.06539	7.0
97.10152	7.5
98.97534	1.6
103.05466	2.6
105.07029	25.3
107.04954	20.0
107.08578	17.3
108.59373	1.5
109.06511	94.5
109.10143	6.1
111.08067	6.5
115.05447	2.4
116.06194	2.4
117.07020	15.2
119.04935	2.5
119.08558	23.3
121.06516	11.7
121.10123	9.5
123.04383	1.9
123.08050	7.9
125.09629	5.8
128.06235	3.0
129.07014	10.1
130.07701	1.7
131.08566	17.4
133.06482	5.5
133.10112	8.9
135.08046	43.0
135.11696	5.3
137.05893	1.8
137.09650	4.2
137.10745	1.3
142.07803	1.5
143.08528	9.5
145.06470	2.5
145.10109	16.4
145.89185	1.4
147.08026	13.1
147.11661	3.6
149.09645	13.0
151.07558	6.0
157.10086	6.2
159.08081	2.1
159.11707	5.1
161.09610	14.2
161.13242	1.9
163.11159	6.0
171.11653	4.6
173.09662	2.2
173.13263	1.6
175.11169	3.1
177.12685	2.0
185.13261	2.9
187.11247	2.0
199.14778	2.6
209.13428	1.4
217.15822	6.0
223.13397	1.8
227.17955	1.8
245.19026	3.3
249.14796	5.7
255.17444	5.4
259.09641	1.5
273.18466	29.2
287.16449	1.5
291.19531	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03930	6.7
55.01868	19.0
55.05508	51.4
57.03422	12.9
59.04998	6.6
65.03942	4.9
67.05500	59.3
69.03419	9.4
69.07064	34.5
70.23846	8.4
70.24253	12.3
71.04990	6.6
79.05053	6.4
79.05488	97.8
81.03394	7.0
81.07061	100.0
83.04977	8.6
83.08612	21.7
85.06510	9.8
91.05477	94.3
93.07042	91.1
93.25207	4.0
95.04958	25.5
95.08597	42.2
97.06528	10.0
97.10153	16.9
99.49834	4.2
103.05442	5.7
105.07030	81.9
107.04942	22.5
107.08592	45.3
109.06511	23.0
109.10175	8.8
111.08076	42.7
115.05382	8.0
117.07013	58.0
119.08569	63.2
120.46229	3.5
121.06497	18.8
121.10107	33.5
123.08055	31.1
123.11666	4.1
125.09640	9.7
128.06201	9.4
129.07005	25.9
130.07814	5.8
131.08572	72.6
133.06451	13.2
133.10098	24.4
135.08041	34.2
135.11678	11.8
137.09605	6.6
139.11165	7.4
141.06969	7.0
142.07773	6.1
143.08571	46.0
145.10121	83.1
146.97275	3.7
147.08031	26.7
147.11671	7.2
149.09602	14.6
151.07529	69.9
155.08557	5.5
157.10129	21.4
159.08040	9.8
159.11685	16.9
161.09619	25.2
163.11151	10.1
169.10204	9.0
171.11673	16.1
173.13300	5.4
175.11133	11.4
183.11711	7.6
189.11203	5.6
189.12683	20.3
195.11667	7.1
197.11751	7.4
199.14761	5.1
201.12807	4.4
207.13716	38.1
213.12590	5.3
217.15854	11.5
227.17944	5.9
233.15495	7.1
237.16321	9.3
249.14786	5.7
255.17499	6.3
273.18481	63.3
274.18796	3.6
285.10260	4.6
291.16443	7.3
291.19553	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03947	1.8
55.05500	11.9
57.07071	2.7
59.04993	2.5
67.05505	7.7
69.03436	2.6
69.07070	3.3
69.49205	14.8
71.04991	5.2
79.05482	11.8
79.92956	1.7
81.07039	9.4
83.08614	10.5
85.06541	4.0
91.05473	8.3
92.71431	2.0
93.07053	16.7
93.46838	1.6
95.04984	6.3
95.08609	17.5
97.06515	3.8
105.07021	9.7
107.04942	12.2
107.08586	12.8
107.23603	1.8
109.06540	6.8
109.10178	3.9
111.08076	43.1
117.07016	2.2
119.08581	10.6
121.06514	1.8
121.10136	7.0
122.07271	2.2
123.08049	35.9
125.09599	2.9
131.08591	6.8
133.06453	4.7
133.10130	8.0
135.08067	8.1
137.09598	2.2
145.10106	4.3
147.07985	3.2
147.11661	4.9
149.09624	9.9
150.85635	1.5
151.07538	100.0
155.10660	3.3
157.10133	5.1
159.08015	2.2
161.09674	3.3
163.11197	2.6
171.11673	2.4
173.13237	6.2
174.10339	1.8
175.11179	5.5
177.09109	1.7
179.10634	4.3
181.12190	2.8
189.12749	29.2
191.14314	15.4
192.11415	5.0
193.12175	1.8
197.11751	11.8
197.13316	2.5
207.13776	63.4
211.13387	2.8
215.14384	2.5
217.12251	4.1
233.15366	39.2
249.18555	2.4
255.17484	2.9
273.18521	6.6
283.06381	2.8
291.19534	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
50.16307	0.5
52.48449	0.6
55.01870	0.6
55.05502	3.7
57.03432	0.6
57.07077	2.5
59.04987	2.5
59.82285	0.5
67.05501	4.5
69.03409	1.8
69.07064	1.3
70.66181	1.7
71.04984	2.8
71.89130	0.4
79.05473	4.4
81.07049	6.2
83.04965	1.6
83.08598	2.6
85.02904	0.7
85.06522	1.9
91.05457	4.0
93.07035	9.2
95.04977	3.0
95.08595	11.4
97.06521	2.7
101.84914	0.4
105.07014	9.0
107.04941	4.3
107.08575	6.2
108.05702	0.9
109.06500	5.4
109.10124	3.1
111.04470	0.8
111.08068	23.1
113.09682	0.6
117.06978	1.0
119.08557	8.7
121.06473	2.2
121.10123	4.9
122.07272	2.3
123.08051	35.5
123.11678	0.7
125.09618	1.0
129.07004	1.2
130.07770	0.5
131.08553	5.3
133.06474	3.2
133.10130	5.9
135.08046	5.3
135.11676	2.5
137.09592	3.0
141.05481	1.0
142.07785	0.9
143.08543	1.9
144.09242	0.5
145.10107	10.3
147.08054	2.4
147.11667	5.5
149.09627	3.8
151.07524	100.0
152.07841	1.2
153.09085	0.6
155.10689	0.6
156.09315	1.4
157.10109	2.9
159.08060	1.8
159.11674	2.7
160.08743	0.6
161.09602	3.1
161.13263	1.3
163.11136	2.6
165.09062	0.7
165.12981	0.5
169.10107	0.7
171.11607	3.2
173.09583	1.3
173.13272	2.9
174.10420	1.6
175.11165	3.8
177.09128	2.4
177.12729	1.5
179.10637	5.6
179.14240	0.5
181.12187	0.9
185.13287	0.7
187.11174	1.7
187.14900	0.9
189.12724	26.8
190.13264	0.4
191.10675	0.6
191.14319	4.4
192.11417	6.0
195.11668	0.5
197.11705	13.4
197.13287	1.6
199.11295	0.6
203.14352	1.0
207.13782	64.9
208.14182	0.9
211.13161	0.8
211.14896	0.6
213.16377	1.3
215.14290	2.9
217.12254	3.0
220.71304	0.5
229.15604	0.5
231.17372	2.2
233.15329	10.6
233.17500	0.9
235.13264	1.7
255.17433	2.1
263.10324	0.5
273.18457	6.3
288.79892	0.5
291.19510	35.4
301.22156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03923	4.4
55.01668	1.0
55.01869	12.0
55.05506	31.8
56.96547	2.0
57.03433	6.5
57.07060	4.1
59.04994	2.5
65.03915	2.9
65.32939	1.2
67.05165	2.0
67.05502	34.1
69.03422	5.7
69.07061	17.5
69.69685	8.2
70.06584	5.6
71.04979	4.4
73.31364	1.2
79.05487	52.6
81.03403	10.2
81.07053	67.1
82.63226	1.2
83.04971	7.8
83.08612	13.6
85.02895	1.5
85.06530	3.4
88.07610	6.3
89.07948	2.1
90.84954	1.1
91.05475	39.8
93.07037	32.5
93.07617	1.8
95.04962	27.3
95.08597	24.5
97.02869	1.3
97.06495	5.6
97.10159	9.1
98.97563	1.4
102.08548	1.1
102.09171	3.7
103.05479	1.8
103.09533	1.6
105.03359	2.1
105.04512	1.9
105.06371	2.3
105.07024	27.9
107.04947	16.2
107.08585	20.9
109.06514	16.9
109.10156	7.8
111.04465	3.0
111.08080	16.4
115.05457	3.7
116.06204	1.9
117.07004	21.4
117.46285	1.0
119.04906	3.6
119.08571	35.7
121.06496	17.6
121.10128	12.9
123.04459	1.5
123.08064	29.9
123.11623	1.3
125.09595	7.6
128.06201	3.0
129.07001	10.0
130.07791	2.7
131.08568	17.6
131.26776	1.2
133.06497	6.0
133.10129	10.3
134.99649	1.8
135.08041	17.2
135.11707	5.9
137.09631	6.8
141.07019	1.8
142.07820	1.8
143.08533	8.8
145.06447	2.0
145.10107	20.1
147.08028	19.2
147.11703	6.8
149.09607	12.8
151.07539	31.8
153.09125	4.3
156.09381	1.7
157.10109	7.6
159.08075	3.0
159.11729	6.6
161.09605	10.1
163.11171	18.0
165.09114	4.5
165.12709	1.5
171.11655	5.6
173.09650	2.2
173.13245	2.6
175.11154	5.2
177.09056	1.9
179.10678	3.3
179.64977	1.3
183.11708	1.7
185.09648	1.3
185.13249	3.9
187.11143	4.1
189.11163	4.3
189.12758	9.2
191.14149	1.6
192.11391	1.8
193.12209	2.5
197.11726	4.3
199.11209	1.5
199.14839	1.7
203.14261	2.3
205.12202	1.9
207.13800	20.7
213.16350	1.7
217.12263	2.3
217.15897	2.2
223.13351	6.4
223.15143	1.3
227.18001	3.3
228.23219	2.5
229.23573	13.3
231.13988	1.9
233.15411	4.4
245.18985	2.6
249.14894	6.4
255.17508	6.0
273.18451	32.3
273.26422	1.4
291.19531	100.0
291.27127	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	291.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.8
53.03942	1.3
55.01864	2.7
55.05504	4.9
57.03432	5.2
57.47368	0.6
59.04982	1.3
61.02925	4.8
67.05495	5.8
69.03435	2.2
69.07066	31.1
69.53181	1.9
69.53606	3.1
71.04982	1.8
72.08168	0.8
77.03893	1.1
79.05057	0.9
79.05492	15.6
81.03423	1.1
81.07053	6.1
83.04965	0.8
83.08638	0.6
85.02853	0.7
85.06538	2.2
87.08090	2.0
89.03905	7.9
91.05489	3.2
93.07045	2.9
95.04991	3.5
95.08601	2.4
97.06524	88.8
103.05466	1.8
105.03369	1.1
105.07041	1.9
107.04957	2.7
107.08583	2.5
109.02883	2.2
109.06537	1.2
109.10151	2.1
111.08067	2.7
112.08778	0.6
115.05428	1.1
117.03376	8.7
117.07044	1.3
117.20356	0.7
119.08594	1.9
120.08084	1.0
121.06425	0.6
121.10136	1.5
123.08076	0.6
123.11724	0.9
129.07019	1.1
129.09131	3.3
131.04901	2.6
131.08559	1.4
133.02841	6.4
133.10147	0.9
135.04399	13.7
135.11711	1.2
137.05971	0.7
137.09631	1.1
140.74680	0.6
141.06989	1.4
145.02844	8.5
145.06543	0.8
147.04378	2.9
147.11646	0.7
149.13213	0.9
151.03906	1.1
157.06432	1.0
159.03209	0.8
159.04416	8.7
159.08011	1.2
159.11668	0.7
159.36449	0.6
161.02332	36.4
161.13255	0.8
163.03897	62.1
165.05420	0.8
167.04919	0.6
171.04369	1.0
171.11452	0.6
173.02332	70.0
177.05400	1.7
179.03369	1.2
185.05937	4.2
186.03146	1.9
187.03912	1.5
187.07529	2.2
189.05496	1.3
191.03387	9.3
195.08089	1.0
197.05870	1.3
199.03862	0.7
202.07718	0.7
203.08572	1.0
205.04938	0.9
215.07010	100.0
216.07422	1.2
217.05019	1.9
231.08006	1.0
233.08058	7.8
241.08598	7.9
248.08376	1.4
259.07034	0.7
259.09665	13.7
263.10733	0.8
273.11148	1.9
273.18405	1.2
276.07730	1.1
291.09900	2.5
291.12845	3.6
291.19501	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77464	0.7
53.03944	2.9
55.01874	4.9
55.05513	6.4
57.03435	6.4
57.70028	0.9
59.04991	2.8
61.02922	4.7
62.34009	0.8
67.05502	6.5
69.03420	2.3
69.07065	43.4
70.00096	1.4
70.00495	2.9
70.67819	0.8
71.05015	1.9
78.58685	0.8
79.05489	18.5
81.03415	1.9
81.07053	12.4
83.04987	1.0
83.08609	1.7
85.06538	2.9
87.08089	2.2
89.03916	8.6
91.05478	3.6
93.07030	4.2
95.04969	3.9
95.08603	7.0
97.06525	100.0
97.10159	1.8
99.08119	0.9
103.05473	1.2
105.03390	2.3
105.07030	3.1
107.04951	3.4
107.08551	4.2
109.02892	3.2
109.06522	1.0
109.10166	4.9
111.08114	4.4
115.05410	1.1
117.03383	8.8
117.07039	1.5
119.08580	2.6
121.10131	3.1
123.08031	1.1
123.11682	2.9
128.06197	0.9
129.07010	1.9
129.09103	2.7
131.04878	1.2
131.08586	2.4
133.02826	6.3
133.10097	1.2
135.04408	13.3
135.08005	0.9
135.11716	2.1
137.09610	1.7
141.06937	1.1
145.02835	9.2
147.04422	3.1
147.11670	1.9
149.13242	1.1
151.03973	1.0
157.06462	1.7
159.04405	10.4
159.08092	1.0
161.00960	1.2
161.01218	0.7
161.02328	33.6
163.03897	61.9
163.14777	1.0
165.09189	1.0
173.02333	81.2
174.02693	1.7
175.14790	1.0
177.05467	1.2
185.05960	5.8
186.03072	2.4
187.03848	1.1
187.07501	1.8
191.03355	4.0
194.77049	1.0
197.06007	1.5
199.07562	1.5
213.05492	0.9
213.09134	1.3
215.07008	100.0
217.04913	1.0
217.08629	1.4
233.08052	3.5
241.08571	10.2
253.19949	0.8
259.09637	10.1
273.11276	2.7
291.12491	5.9
291.19467	1.9
291.23093	1.0
291.26804	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	291.0975
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
53.03925	1.1
55.01859	1.8
55.05495	2.8
56.05036	1.6
56.96553	3.6
57.07063	1.0
60.04512	3.2
65.03934	1.4
67.05496	5.8
68.15321	0.9
69.03420	2.5
69.07050	2.7
69.88644	5.8
70.06580	3.4
71.04950	1.3
71.59744	0.9
72.08164	1.5
79.05486	2.6
81.03403	2.5
81.07036	4.0
83.06071	1.1
83.08609	1.6
84.04501	2.5
84.08138	2.8
85.02903	1.8
85.04824	1.7
85.06523	1.7
86.09705	2.4
87.00826	1.3
88.03973	3.2
91.05461	6.2
93.07057	4.8
95.04955	2.4
95.08587	3.3
97.06562	2.2
98.97564	2.4
99.08088	1.3
103.05453	2.2
105.07035	4.9
107.04981	1.1
107.08567	4.9
109.02854	3.3
109.06495	2.1
109.10165	3.1
110.66935	0.9
111.04424	1.0
115.05450	7.1
116.98639	1.3
117.05740	1.4
117.07005	2.6
118.06537	13.9
119.08557	4.6
120.08105	1.1
121.06464	1.1
121.10133	1.6
123.08047	1.4
123.11681	1.2
124.07603	1.4
125.09683	1.0
127.03953	1.1
129.07031	1.4
130.06519	100.0
131.08546	2.9
132.08086	39.6
133.10097	2.4
134.99677	1.5
135.08072	1.6
136.07622	1.7
137.05994	1.9
137.07913	1.6
137.09639	3.5
142.06519	12.9
143.07266	3.1
143.08525	1.6
144.08070	6.4
144.13823	1.1
145.10121	2.7
145.14114	1.7
146.06006	20.0
147.04442	1.2
149.09622	2.0
154.06538	1.2
156.02867	1.6
156.08110	4.8
157.07622	7.5
157.10103	1.1
158.06050	2.5
158.08377	4.3
159.09167	93.9
160.07602	9.0
161.09569	1.1
161.13239	1.2
165.09146	1.0
167.06032	2.4
169.07579	3.4
170.06003	34.5
171.06691	1.3
171.11772	1.2
172.07520	2.8
181.07602	2.7
183.09164	6.0
184.07552	16.3
185.07094	46.1
186.07376	1.3
187.08731	4.6
188.07053	39.7
189.09093	1.4
199.08636	3.8
200.07062	9.3
201.10226	13.1
203.08411	1.5
205.09743	2.1
209.07159	2.2
217.08665	1.2
221.46684	1.0
227.08139	45.5
229.09776	2.6
231.07701	2.9
241.08806	1.4
245.09218	72.1
246.09499	2.0
255.07718	2.3
273.08670	6.9
273.12213	2.3
273.18491	1.9
291.09805	3.8
291.13278	3.7
291.19647	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	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	20.1
55.63205	4.2
56.05022	7.4
56.94285	4.1
56.96558	79.9
57.76694	4.3
58.06596	8.3
58.95497	4.5
60.04525	8.0
67.05474	10.9
68.05008	9.9
69.03416	11.5
69.07042	13.0
70.06590	39.4
70.94128	9.8
72.08143	36.8
72.93800	10.9
73.02911	4.7
73.06549	5.3
74.06084	10.0
79.05467	5.4
80.05010	4.4
80.48595	3.9
81.07019	4.8
82.06548	8.1
83.04976	6.1
83.08609	4.2
84.04509	32.9
84.08135	42.7
84.96024	19.7
85.02901	13.0
86.09690	19.3
86.49779	4.5
87.10037	9.3
90.94808	15.2
93.07014	6.5
95.04984	9.3
96.04440	6.2
97.02847	6.9
97.06528	5.8
98.09618	4.7
98.20835	5.0
98.97571	91.2
99.04453	4.2
102.05529	18.5
102.96986	5.1
104.96366	5.3
105.06978	4.3
108.95861	5.4
110.07153	11.8
110.09669	15.1
110.97546	4.7
112.11213	12.3
112.11967	4.2
116.07069	8.7
116.98612	100.0
119.01885	10.8
120.08095	9.3
122.97371	5.6
126.12788	30.1
127.03926	6.8
128.98596	17.5
129.10208	11.9
130.06538	9.7
130.08615	6.3
131.00162	9.5
132.95825	13.2
133.03500	5.7
134.99635	69.0
138.09181	21.7
143.00140	12.5
144.13826	86.8
146.02682	5.9
146.08109	7.1
146.99631	24.8
147.04318	5.8
147.16016	4.6
149.01169	8.0
150.96857	10.3
153.00673	11.0
156.10199	6.3
158.15404	8.7
158.99641	28.0
159.07660	5.8
161.01189	33.0
161.02502	4.2
161.02962	4.8
162.99118	8.0
163.02747	8.5
164.98457	5.2
165.00703	5.6
174.07594	10.7
174.11266	17.0
174.12880	4.8
177.00699	56.2
179.02281	12.2
189.04340	14.9
193.00169	9.8
195.01662	7.6
195.55864	7.3
200.02295	6.0
201.00635	5.8
205.00139	7.6
206.95787	13.1
219.01717	12.7
223.01144	10.6
230.95857	16.4
237.02849	26.4
248.96863	9.0
248.99178	6.1
249.18544	6.0
255.03775	5.7
255.13359	19.3
267.00330	7.1
273.14444	5.5
291.08276	46.5
291.15732	8.1
291.19144	24.3
291.23740	7.0
309.08469	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2112
Annotation	Dyclonine
Peak:m/z	Relative Intensity
53.67182	0.2
55.01871	1.2
55.05494	1.1
56.96553	0.6
57.07070	3.2
58.06592	0.3
59.04996	0.6
67.05484	0.7
68.05025	0.2
69.03453	0.3
69.07073	3.4
70.06572	6.6
70.07026	1.0
71.08628	0.7
73.02554	0.3
73.02925	2.9
73.06553	1.8
79.05473	0.8
81.03400	0.3
81.07061	1.3
83.08615	0.4
84.04507	2.1
84.08126	0.8
85.02901	0.4
85.10156	0.7
86.09697	0.5
88.07632	6.7
91.05468	0.8
93.07030	1.0
95.04933	0.7
95.08597	0.6
97.06503	0.6
102.09190	0.4
105.07017	0.9
106.08652	1.0
107.04955	0.6
107.08562	0.8
109.02911	0.3
109.06525	0.3
109.10178	0.5
111.08113	0.2
114.09167	2.6
116.98647	0.5
117.05659	0.3
117.07009	0.6
118.06539	13.4
118.08649	0.7
119.07309	0.5
119.08594	0.7
121.06461	0.3
121.10115	0.6
126.05497	0.6
131.08543	0.6
132.08102	4.1
132.10199	9.3
133.08911	1.7
133.09843	0.3
134.09616	1.2
134.99617	0.6
135.08014	0.6
135.75542	0.3
146.09644	4.1
147.10352	0.5
147.11549	0.3
149.09625	0.4
150.11255	7.9
159.11661	0.4
176.14346	47.7
177.14671	0.6
185.58447	0.3
202.15939	1.0
214.21672	0.6
228.23328	0.5
232.13412	1.1
238.13133	0.3
246.14760	1.5
246.24248	2.4
247.15710	0.5
260.16498	0.7
273.18549	0.5
290.21161	100.0
290.26752	40.1
291.21701	3.6
291.27170	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	290.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21090	0.3
54.70356	0.3
55.05505	3.2
55.72198	0.3
56.96553	0.7
57.03427	2.0
67.05499	0.7
69.07053	0.9
69.40386	0.9
69.40808	2.1
70.06581	0.5
71.08595	0.3
79.05483	5.0
81.03426	0.7
81.07049	24.4
81.76583	0.3
82.07403	0.6
84.04459	2.1
85.02908	0.5
87.60464	0.3
91.05451	0.8
93.07019	0.7
95.04948	0.7
95.08598	0.5
97.02874	0.5
97.06503	0.8
98.83027	0.4
98.97575	0.7
99.08100	1.0
103.03934	0.4
105.07006	0.5
107.08532	0.5
109.02846	0.6
116.98602	0.5
119.04908	0.4
119.08587	0.7
120.08108	0.4
126.05471	0.6
129.92450	0.4
132.05537	1.8
133.10049	0.4
135.05527	0.4
135.11661	0.3
147.04393	0.9
154.02155	0.4
160.05048	100.0
161.05365	1.1
163.03902	0.6
167.08792	0.4
172.05022	0.6
182.06403	0.4
191.02043	0.3
192.07645	5.5
202.98524	0.4
214.09705	0.8
215.07036	0.5
258.12360	68.3
259.12650	1.5
270.49341	0.4
272.01740	0.3
290.06299	5.7
290.14966	50.1
291.15311	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	290.1709
Annotation	Ser Ile Ala
Peak:m/z	Relative Intensity
56.96555	1.8
60.04218	1.0
60.04521	19.5
62.11142	0.8
70.02946	0.9
70.06587	1.2
70.65159	1.5
72.08142	0.9
74.06071	3.1
84.04495	1.3
84.08131	1.6
86.09698	73.8
87.05585	11.9
87.10029	0.7
90.05510	0.6
95.04958	0.8
97.02884	0.7
98.97584	1.4
105.06996	0.8
116.98574	1.8
120.06593	2.0
128.10703	8.2
129.10132	0.8
131.08150	1.3
132.95789	1.3
134.99625	0.6
143.11794	6.0
146.97449	1.0
147.04361	0.7
150.96849	0.7
171.11295	0.8
173.12851	100.0
174.13177	1.6
177.03304	0.7
192.90289	0.7
201.12325	19.9
203.13913	4.0
266.12631	0.7
267.00201	1.4
272.16025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.01860	8.2
55.05509	45.2
55.55668	6.0
57.03424	12.2
57.07060	11.5
59.04987	9.3
67.05503	46.2
69.03414	8.7
69.07062	39.6
70.06581	8.8
71.04981	30.3
71.18101	10.4
77.52808	5.6
79.05482	41.9
81.07047	84.4
83.08623	32.4
85.06527	24.5
88.07628	8.3
91.04957	7.2
91.05470	65.3
93.07030	86.4
95.04960	6.6
95.08606	69.8
97.10152	18.0
98.97575	6.8
99.08059	9.8
105.07025	98.9
106.08615	7.9
107.04995	5.7
107.08577	86.2
109.06512	14.8
109.10140	68.1
116.98597	5.9
117.06984	22.1
119.07787	8.1
119.08569	87.2
121.10152	50.1
123.08102	6.1
123.11718	19.1
124.99591	5.7
125.09604	12.7
127.03905	6.7
127.11171	30.1
131.08582	37.1
133.10110	82.9
134.99655	13.0
135.11700	38.0
142.07799	6.0
143.08533	13.6
145.10110	43.8
147.11684	65.8
149.13257	52.3
149.99586	5.3
155.08524	7.9
157.10179	10.4
159.08057	14.1
159.11699	27.7
161.09630	8.4
161.13231	23.8
163.14789	10.0
171.11769	11.1
173.13222	25.1
175.11020	5.6
175.14766	13.2
183.11653	7.8
187.14813	16.9
189.16364	9.3
191.17894	9.2
201.16357	18.8
203.17929	100.0
204.36382	6.0
215.17926	9.8
223.68338	5.6
239.18184	6.4
240.90903	7.7
257.18927	16.3
261.18582	5.9
271.24167	34.1
289.14697	9.3
289.17972	40.6
289.21591	68.2
289.25223	69.7
289.29263	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
52.36403	0.9
53.03928	1.7
55.01855	1.7
55.05264	1.7
55.05508	23.2
55.51043	0.9
56.96550	1.1
57.03426	0.9
57.07064	1.7
59.04985	2.6
65.03916	1.9
67.05499	19.4
69.03397	1.2
69.07063	15.4
69.34834	9.7
71.08594	1.0
73.06543	2.1
73.28573	1.2
73.29021	0.9
79.05057	1.3
79.05489	22.8
81.07055	26.4
83.04943	1.2
83.08616	9.2
85.06544	5.9
91.05475	60.8
93.06473	1.3
93.07043	21.0
95.04958	4.0
95.08602	20.9
95.09183	0.5
97.06509	2.0
97.10162	3.0
99.08095	1.0
103.05441	2.9
105.07024	86.4
106.07366	0.9
107.04962	1.4
107.08595	14.9
109.06520	1.8
109.10157	7.8
109.85799	1.1
111.08082	1.2
115.05435	1.3
117.07014	17.1
118.07799	1.7
119.08574	58.3
120.08912	1.3
121.06500	1.1
121.10159	8.0
122.39495	1.0
123.08030	1.4
123.11727	1.6
125.09614	1.6
129.06979	4.1
130.07796	1.2
130.10339	0.9
131.08563	25.5
133.10118	62.3
135.08069	2.0
135.11656	5.6
137.09596	1.5
141.06996	1.8
142.07722	1.6
143.08542	5.1
145.10114	22.4
145.38644	1.1
146.10828	1.5
147.11676	30.5
149.09564	2.4
149.13220	1.6
155.08543	2.3
157.10133	5.7
159.08063	1.0
159.11673	17.8
161.13239	14.0
163.11212	1.6
169.10106	3.6
171.11636	6.2
173.09615	1.8
173.13264	13.4
173.63564	1.0
175.11203	2.7
175.14813	3.1
177.49211	0.9
183.11688	5.4
185.13298	2.7
187.11162	2.8
187.14818	2.6
187.92752	1.3
188.92480	4.4
189.12689	1.6
197.13303	4.4
201.12679	2.1
211.14830	2.3
213.16350	3.3
214.94083	1.3
215.14392	2.3
215.17952	4.7
229.15930	1.0
229.19603	2.6
233.15457	1.2
239.17963	7.7
243.95467	1.4
244.95068	3.0
245.13211	1.2
257.18985	13.6
285.13763	2.0
289.18353	4.9
289.21603	100.0
290.21878	6.0
300.97723	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03932	3.5
55.05509	25.3
56.44381	1.8
57.07064	5.3
59.04998	3.5
67.05170	2.4
67.05499	21.4
68.45874	1.7
69.07059	14.0
71.12749	4.3
72.04513	2.0
74.96693	1.9
79.05494	22.4
81.07059	29.3
83.08619	11.0
85.06543	9.8
86.09686	5.2
91.05482	65.7
93.07049	21.9
95.04950	5.6
95.08610	17.0
97.06551	2.7
97.10156	7.0
103.05481	3.9
104.10727	4.1
105.07030	96.3
107.08593	13.6
109.10153	9.1
115.05415	2.6
117.07000	15.6
118.88950	1.6
119.08587	51.5
121.10129	7.9
125.00023	3.0
125.09605	4.2
129.07039	3.3
131.08577	24.3
133.03436	2.4
133.10127	65.6
135.08087	3.5
135.11665	2.9
137.09518	1.8
143.08554	6.0
145.10118	37.2
147.11690	45.7
151.04488	2.9
151.11142	2.1
156.13879	2.9
157.10120	3.8
159.11697	18.5
161.13235	7.9
169.10135	3.2
171.11726	6.7
173.13251	12.7
175.11177	2.7
175.14789	2.1
177.12488	2.0
181.02588	2.0
183.11688	7.8
184.07362	5.5
185.13231	1.9
197.13327	3.6
201.12749	2.8
211.14809	2.5
213.16324	2.9
215.14226	1.9
215.17943	2.1
239.17879	10.4
240.09946	1.9
257.18985	27.3
289.18335	3.6
289.21606	100.0
289.29034	3.0
290.22015	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	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03944	1.9
55.05505	17.5
59.04986	2.5
67.05177	1.2
67.05502	19.5
69.07068	14.7
70.40810	3.0
73.06532	1.4
79.05128	1.4
79.05491	15.6
81.07053	21.8
83.08602	7.4
85.06528	4.4
86.08451	1.1
87.58270	1.0
91.05477	50.4
92.28104	0.9
93.07035	17.4
95.04958	3.6
95.08602	15.4
95.09173	2.0
97.06479	1.3
97.10143	3.5
99.08072	1.3
103.05434	1.5
105.07025	68.4
107.08581	11.2
109.10136	7.0
115.05460	1.7
117.07011	14.3
119.08571	51.7
120.08923	1.4
121.10142	7.2
123.08054	1.1
123.11721	2.0
129.07005	2.6
131.08557	16.8
132.09326	1.1
133.09097	2.0
133.10121	41.4
135.08051	2.6
135.11674	2.6
137.09657	1.2
143.08499	3.7
145.10120	17.4
147.11673	27.1
149.09589	2.1
151.04523	1.2
155.08496	1.7
157.10144	4.5
159.11694	19.8
161.09647	2.4
161.13245	14.2
163.11139	1.3
169.10086	2.2
171.11668	4.3
173.13245	12.4
175.11179	2.2
175.14870	1.7
183.11684	4.3
185.13203	2.0
187.04430	1.3
187.11176	2.0
187.14702	1.3
188.92474	1.6
197.13248	3.4
201.12709	3.1
211.14777	2.4
213.16374	2.4
215.17943	2.4
226.46068	1.1
229.15910	1.2
229.19522	2.2
239.17958	8.3
257.18942	15.5
269.37851	1.0
278.92648	1.3
289.21591	100.0
290.21927	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	289.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01860	4.4
55.02106	1.3
55.05504	33.0
56.96554	1.9
57.03431	26.5
57.07069	3.3
62.06636	1.1
65.03913	2.4
67.05498	53.6
69.03421	3.0
69.07060	30.7
69.85644	1.2
71.04598	1.7
71.04986	20.0
71.55652	2.3
73.01723	1.1
73.02897	1.3
79.05484	26.2
81.03394	1.2
81.07049	84.0
81.57465	1.2
82.10778	1.3
83.04970	5.7
83.08615	19.5
84.04504	1.6
84.08189	1.3
85.02908	2.5
85.06531	16.7
87.04456	1.8
91.05475	25.5
91.06007	2.1
93.07036	24.9
95.04967	4.0
95.08598	100.0
97.02867	1.4
97.06521	22.2
97.10139	6.4
97.34959	1.0
99.08086	7.8
105.07014	21.4
107.08595	14.6
109.06507	4.3
109.10159	18.2
111.08070	5.7
113.09640	1.2
115.07586	2.0
117.23847	1.4
119.08567	27.1
121.10138	9.6
123.08054	6.3
123.11702	1.7
125.09589	1.7
128.14407	1.3
131.08492	1.6
133.10109	19.2
135.11661	11.0
136.07549	4.2
137.07927	2.7
137.09595	3.8
137.13223	9.2
147.11794	1.7
149.13229	5.5
161.13249	40.0
161.14603	2.1
163.14819	1.9
164.07050	5.1
165.07462	2.5
166.07610	1.9
167.14233	1.3
168.70792	1.2
170.73502	1.3
179.14319	22.8
197.15302	7.7
229.12085	1.5
253.17928	1.6
254.24130	1.3
271.19028	27.0
271.23941	1.3
276.71863	1.2
289.06036	23.5
289.11377	2.3
289.14828	3.9
289.20081	39.3
289.25333	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	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	2.7
54.29773	2.1
55.01860	4.7
55.05503	11.2
67.05503	16.6
69.03400	3.8
69.07054	16.7
70.36839	3.5
70.37238	5.6
71.04996	11.2
75.74918	2.0
79.05487	17.9
81.07050	48.2
83.04978	19.3
83.08595	9.4
83.22913	2.6
85.06528	9.8
91.05480	14.3
93.06466	4.3
93.07038	63.1
95.04972	17.9
95.08598	45.9
97.02863	4.6
97.06529	33.5
99.04439	21.6
105.07027	40.1
107.04940	5.7
107.08589	29.7
109.06509	31.9
109.10124	11.8
111.04442	2.5
111.08057	22.7
113.06008	5.8
119.08592	24.6
121.06498	84.4
121.10146	4.9
123.08030	6.7
123.11714	12.6
125.05982	14.5
127.07526	8.7
131.08560	7.2
133.06512	4.3
133.10120	23.6
135.04408	4.9
135.08063	11.2
137.05946	4.0
138.05498	3.0
139.07518	20.3
141.05475	3.1
143.07034	12.1
143.08517	7.2
145.10103	8.2
147.08014	6.4
147.11684	55.4
149.13327	3.4
151.07471	3.3
151.11147	8.0
157.08565	9.9
157.10081	13.5
159.06508	14.7
161.09557	4.0
161.13261	14.3
163.11191	2.6
165.12735	18.3
169.12238	20.6
171.11639	15.9
173.13164	2.4
175.11151	32.9
181.10141	4.8
189.12715	26.0
193.12260	40.2
199.11211	29.4
207.13782	19.4
211.13310	41.5
217.12219	100.0
218.12563	5.0
225.15102	2.8
229.14326	13.4
235.10899	5.0
235.13269	86.4
253.14328	44.0
289.05966	9.7
289.14743	2.9
289.17813	4.7
290.12228	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	289.1545
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03952	1.8
55.01852	2.7
55.05510	3.7
56.05031	1.6
56.96556	5.8
57.03424	4.0
58.93090	1.2
63.77860	1.3
65.03948	2.3
67.05512	6.6
68.05016	1.7
69.03426	7.9
69.07073	7.5
69.14816	1.2
70.06581	7.1
71.04993	3.9
71.59129	1.7
72.08145	3.5
72.93776	3.7
76.00409	1.2
79.05484	8.0
80.05031	1.5
80.55534	1.3
81.03399	5.2
81.07045	9.5
83.04972	5.2
84.04504	13.7
84.08121	5.3
85.02904	7.2
85.06548	2.5
86.06020	1.5
86.09689	5.3
90.94804	2.4
91.05473	10.7
93.07040	11.6
94.06526	3.1
95.04951	7.2
95.08587	3.9
96.02004	1.3
96.08111	4.1
97.02876	4.2
97.06510	5.9
99.04442	4.0
99.08065	2.2
103.03933	2.2
103.05466	2.2
105.05804	2.1
105.07029	12.7
106.06550	2.1
107.04954	2.1
107.08568	9.2
108.08105	11.4
109.02854	5.0
109.06506	6.0
109.10130	2.3
110.06066	1.5
111.08076	1.6
112.02173	2.5
116.98551	2.0
117.07008	1.7
118.06525	7.6
119.01908	3.2
119.04942	2.2
119.07299	6.3
119.08556	6.3
120.08103	47.6
121.06510	3.1
121.10133	5.8
122.06016	3.2
123.08044	5.2
124.07593	12.6
126.05508	4.1
126.09129	4.5
127.03922	7.7
128.06157	2.1
129.07016	2.1
129.10236	2.5
130.06470	2.0
131.08560	9.3
132.95827	3.5
133.07561	1.4
133.10127	42.8
134.99687	1.6
135.08034	2.0
135.11731	1.5
136.07574	66.0
138.09129	4.0
140.01640	1.6
143.08537	3.7
144.08212	1.6
145.10117	4.4
146.05974	1.8
146.08397	1.7
147.04445	4.4
147.08017	2.5
147.11780	2.1
148.07556	17.4
149.06007	2.2
149.09648	2.6
149.13156	1.5
150.96849	2.4
152.07088	1.5
153.01825	2.7
157.10123	1.9
158.10864	2.1
158.97435	6.5
158.99603	2.2
159.07991	1.7
159.09233	1.6
159.97664	3.0
161.01199	2.9
162.09134	2.4
164.07060	30.4
166.08653	2.3
168.08034	1.8
170.09708	1.9
171.11652	2.2
172.09981	1.6
173.13271	15.7
176.98460	5.1
177.98685	5.0
182.99205	4.2
183.10309	3.1
185.10793	1.8
186.02235	2.5
186.11461	2.3
187.12306	5.3
191.14275	9.3
196.07616	1.6
196.09982	3.1
198.12785	2.5
199.08643	3.2
200.10724	3.1
200.98401	3.7
201.00226	2.6
201.12543	1.6
201.98676	8.1
202.98575	3.1
210.11394	1.6
213.10229	3.9
214.10825	9.4
215.11891	9.9
215.15417	4.3
219.99591	2.0
225.00310	2.2
225.13937	7.8
225.15936	1.4
226.12354	6.8
227.11656	3.2
228.12654	7.6
231.07704	1.6
241.09732	1.6
242.10492	2.7
242.14087	2.5
243.01363	2.7
243.04408	3.3
243.11180	3.0
243.14932	72.3
244.15256	2.6
253.13408	7.1
271.14398	100.0
272.08997	1.7
272.14771	3.4
289.06140	7.2
289.11694	9.7
289.15427	37.5
289.18042	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	289.1546
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
52.94993	0.4
53.03944	1.1
55.01849	0.6
55.05511	2.3
56.96558	1.7
57.03433	1.9
57.07074	1.5
65.03923	1.2
67.05509	3.5
69.03398	0.5
69.07063	4.2
69.43236	1.9
69.43658	2.4
70.06576	0.7
71.04993	0.8
77.03910	0.5
79.05499	4.9
80.05016	0.6
81.03433	1.0
81.05767	0.7
81.07047	6.5
83.04969	1.0
83.08591	0.7
84.04482	1.2
84.08126	0.5
85.02904	0.7
91.05482	7.9
91.35178	0.4
93.07047	5.1
94.06568	1.2
95.04965	2.4
95.08602	5.5
96.08138	2.2
97.02881	0.8
97.06530	1.4
97.10162	0.6
98.97557	0.5
103.05479	0.7
105.07018	3.7
106.06551	2.0
107.04953	3.8
107.08620	4.2
108.08102	0.8
109.06505	2.1
109.10168	2.6
111.04475	0.5
116.04903	1.0
116.98549	0.6
117.05743	1.6
117.07014	1.2
118.06538	5.3
119.04978	0.8
119.07288	0.5
119.08595	3.3
120.08101	12.7
120.08932	0.9
121.02914	0.7
121.06516	1.6
121.10133	2.9
122.09657	0.6
123.11669	1.0
124.07587	10.6
126.05476	0.6
126.09169	1.3
127.03920	0.6
129.07010	0.8
131.04909	0.5
131.08553	1.8
133.06520	0.8
133.10130	2.6
134.06007	5.2
135.08051	2.9
135.11681	1.7
136.07561	7.1
137.06013	0.7
137.09576	0.7
137.13284	0.5
138.05507	2.2
141.06859	0.5
143.08574	1.0
145.06520	0.8
145.10120	1.7
146.05951	4.7
147.06775	2.0
147.08049	1.7
147.11681	1.6
148.07568	10.6
149.05968	1.8
149.09589	0.6
149.13275	1.1
150.09099	1.0
152.07089	1.6
153.05476	0.9
155.08527	0.6
157.10127	1.0
159.08087	1.8
159.11708	1.5
161.01300	0.5
161.09569	0.9
161.13290	1.1
163.11150	0.6
163.14867	0.7
164.07063	100.0
165.07600	1.9
166.08652	3.4
169.10101	0.9
171.11685	0.9
173.09587	0.9
173.13254	0.7
175.14821	0.7
177.16289	0.4
183.11746	0.6
189.16353	0.7
191.10666	0.9
200.10805	0.7
201.16394	0.5
214.11002	1.0
215.15410	1.8
215.17444	0.5
216.10216	2.5
219.48328	0.5
226.12256	0.8
228.10266	0.6
229.13393	0.6
231.09061	0.8
233.15524	0.6
243.11195	0.6
243.14999	4.5
245.16502	2.6
253.13387	1.2
257.06851	0.7
271.14413	19.3
271.16864	1.3
271.24200	0.8
289.06311	2.7
289.15436	70.5
289.17960	3.7
289.24966	3.9
290.15808	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	289.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.0
55.05480	2.3
56.05027	4.0
56.96562	10.3
57.03428	3.5
59.04988	5.3
60.04512	2.8
60.05637	3.1
64.82166	1.7
69.03418	6.1
69.07053	3.5
69.15649	2.4
70.06586	20.4
71.04977	3.0
71.06924	4.3
71.59140	2.8
71.62298	2.0
72.08150	14.5
72.93789	4.8
73.02880	3.0
73.08479	4.5
74.02442	2.1
74.06045	3.5
76.32885	1.8
81.03397	7.0
81.07065	2.5
83.04981	2.5
83.06087	3.7
84.04478	5.8
84.08138	15.0
85.02881	11.0
85.06519	3.8
86.09686	9.7
87.04447	8.8
90.94818	4.7
91.05485	2.9
93.07032	2.4
95.04935	3.2
95.06071	3.0
97.02888	4.5
97.06503	2.7
98.97582	5.4
99.04417	4.5
105.07018	2.4
107.04959	3.2
108.04453	2.3
108.95846	2.1
109.02852	4.6
110.07130	2.2
111.05543	5.9
113.03461	3.6
113.35731	2.1
116.07108	2.3
116.98608	5.0
119.01910	5.1
122.06013	3.1
123.05577	3.9
124.03888	2.2
127.03912	83.4
127.04899	4.3
128.86432	2.4
129.10205	8.1
131.97449	2.3
132.95837	4.8
133.03502	2.2
134.99683	4.5
137.02936	2.4
141.06609	4.6
144.95850	2.1
146.97444	4.3
147.04379	2.2
149.01199	2.7
150.96869	3.2
161.01241	4.1
173.13187	2.1
177.00703	3.9
189.00766	2.6
191.14398	2.0
219.01819	2.7
221.05060	4.8
234.98848	3.3
239.13805	2.6
267.00076	3.7
271.16547	6.6
283.37457	2.2
289.12564	100.0
289.20535	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	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.83489	0.3
53.03934	0.3
57.03420	0.9
58.44407	0.3
61.02922	0.9
63.07184	0.3
69.03417	2.2
69.07048	0.3
70.06585	0.5
71.04963	0.3
71.15533	0.6
71.15883	0.5
73.02912	0.5
79.05512	0.3
81.03394	0.9
81.07048	0.9
84.08137	0.6
85.02901	4.7
86.09708	1.6
87.85243	0.3
91.03970	0.4
91.05462	0.5
95.06110	0.6
97.02887	1.5
98.97544	0.4
109.02864	1.0
111.05566	1.8
123.05527	1.4
127.03911	100.0
128.04243	1.4
136.78169	0.3
139.57805	0.4
141.06586	2.7
145.04926	0.9
150.63141	0.4
173.12906	1.1
221.12900	0.4
226.59834	0.4
239.13899	0.9
271.16571	2.4
289.12573	5.2
289.17621	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	289.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63040	0.8
53.03945	1.4
53.06150	0.9
54.60156	1.0
54.71032	1.0
55.05508	2.9
56.96569	2.0
57.03442	2.0
62.05222	1.1
67.05498	5.2
69.03428	3.1
69.07065	6.1
69.86048	2.2
69.86463	2.3
70.06573	2.6
71.04987	2.8
72.08141	2.6
79.05465	6.9
81.03408	3.1
81.07047	10.8
83.04982	1.4
84.04501	6.1
84.08146	1.3
85.02908	4.3
85.06541	3.2
86.09710	4.9
87.10059	1.2
91.05474	11.6
93.07039	11.4
95.04961	3.8
95.08595	5.3
96.76637	0.9
97.02866	1.9
97.06523	7.2
98.20750	1.3
98.97591	3.1
99.04443	1.0
100.08577	0.9
103.03991	0.9
103.05446	1.7
105.07018	22.5
107.08587	11.8
107.95146	0.8
109.02880	2.4
109.06508	10.0
109.10173	2.7
111.08064	1.7
113.09515	0.9
114.13318	0.8
114.90848	0.9
115.05424	1.2
116.90945	0.8
116.98625	2.5
117.06978	1.6
119.08587	6.5
120.08122	1.3
121.06526	1.3
121.10142	11.4
123.08050	2.9
123.11694	1.1
124.07572	1.7
126.05541	1.1
127.03884	2.5
129.06989	1.3
130.12300	1.6
131.04927	1.1
131.08559	20.2
133.10118	100.0
134.10475	2.1
134.99658	2.2
135.08046	3.8
135.11646	1.7
136.07576	1.2
142.07663	1.0
143.08549	4.1
144.09384	1.5
145.10107	7.7
146.05966	1.4
146.11723	1.1
147.11746	3.1
149.06053	1.6
149.09631	3.6
149.13255	7.2
151.07603	1.3
158.10873	5.8
158.99638	1.4
163.07651	0.9
163.11145	1.6
163.14764	1.2
171.11658	1.5
173.13251	46.7
174.13576	1.3
177.00732	2.3
184.07321	2.1
191.10687	1.4
191.14281	29.9
209.00983	1.2
228.97792	1.0
229.16084	1.3
271.10721	1.2
271.14160	1.4
271.16925	0.9
289.05872	2.9
289.11111	4.8
289.18091	3.1
289.21347	1.2
309.11240	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	289.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05504	1.3
56.05024	1.1
56.96563	14.9
57.03446	1.9
61.02924	10.9
61.28946	0.9
61.47997	1.0
61.59710	1.0
63.59651	0.9
69.03429	5.1
70.06577	3.7
71.01328	1.0
71.04979	2.3
71.58915	1.1
71.59273	1.1
72.93753	1.2
72.96042	0.9
73.02911	4.5
77.00882	2.4
81.03397	3.6
81.04514	4.3
82.99845	1.4
83.04981	1.9
84.08131	3.8
85.02901	10.3
85.06551	1.0
86.03226	1.5
87.04426	1.1
89.00827	1.0
89.56687	0.9
90.94822	1.8
95.01962	1.1
97.01425	1.1
97.02877	5.2
98.97581	5.1
99.04430	2.1
101.00862	12.6
101.06008	1.0
103.02437	2.7
106.02819	3.1
108.02400	1.2
109.02863	2.3
110.01293	1.4
110.07082	1.1
112.99095	8.4
113.00815	1.3
115.02425	14.6
115.03266	2.1
116.07082	1.8
116.98618	5.3
117.03981	1.2
119.01913	100.0
120.02037	3.2
121.01604	1.6
121.03469	2.1
123.02997	0.9
127.03083	1.0
127.03903	9.2
127.05016	10.4
127.08668	1.5
128.02303	2.9
128.98584	1.2
129.03979	3.8
129.10233	1.5
130.01932	1.2
131.00168	37.5
131.01772	8.4
132.03423	2.1
132.95853	1.7
133.03462	53.0
134.03572	1.6
134.99641	2.8
135.05023	2.5
137.02951	38.9
141.03967	2.1
142.03464	1.6
143.01884	12.8
144.99823	3.8
145.03442	8.1
145.04971	2.2
146.99593	2.8
147.01360	2.5
147.05038	9.5
149.01215	60.3
149.02942	3.4
150.96819	2.4
151.04523	15.0
154.01810	1.4
154.58797	1.0
155.01811	1.8
156.05049	1.1
157.03477	4.7
159.01338	1.5
159.05032	10.9
160.97537	1.4
161.02950	54.8
162.03119	1.8
162.04419	1.8
163.02542	1.2
163.04477	4.0
165.00648	2.6
165.02473	0.9
165.06148	1.2
167.02251	13.8
168.99828	6.3
171.00027	1.0
171.01382	5.4
172.02782	1.6
173.02916	10.8
173.06476	1.2
174.96919	1.2
174.99162	1.5
175.00827	1.3
175.02766	3.0
175.04514	2.9
175.11958	1.8
175.98543	1.0
176.03329	2.2
177.00667	2.2
177.02325	2.2
177.06006	5.8
179.02245	1.9
179.03972	3.6
183.05005	3.1
183.55107	1.4
184.04648	2.8
185.03017	1.2
185.54048	2.6
186.96915	1.8
186.99284	1.6
187.00876	18.9
187.04482	2.0
189.00726	3.8
189.02425	18.8
190.98575	1.1
191.03954	12.1
192.05617	1.2
193.00130	2.6
193.01950	2.3
193.03818	12.4
195.01451	2.1
195.07152	6.0
196.99315	2.8
197.03226	0.9
197.06613	1.0
199.00829	5.6
199.04483	2.3
200.04375	2.1
201.02411	3.3
203.00276	1.3
203.03993	2.8
203.11249	0.9
205.01939	8.9
206.98050	1.5
207.01701	2.3
207.03510	6.7
209.08740	1.1
211.04872	12.5
213.02522	3.2
213.04428	1.2
215.00356	24.1
216.05228	0.9
217.01923	17.8
217.05385	1.8
219.03543	6.5
221.05017	2.1
227.03928	3.3
229.02029	3.1
231.03505	2.9
233.01453	3.1
235.03036	1.3
238.01898	1.2
239.06094	1.3
240.03520	1.0
241.05540	1.8
241.28548	1.0
243.07080	1.6
245.05095	3.4
245.08716	4.9
246.05017	1.2
247.00804	1.6
247.03035	19.2
259.03043	2.1
261.02795	3.7
265.04034	6.5
270.04477	1.2
271.06592	9.8
273.04324	1.9
275.05994	8.1
277.03925	1.1
277.07767	1.0
279.03848	1.1
289.04297	2.7
289.07617	12.9
289.10629	1.6
298.43954	1.0
305.07117	1.4
307.05457	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	288.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.84119	0.7
55.01867	0.8
55.05511	11.1
55.93544	0.8
56.05045	0.7
56.94315	0.9
56.96561	9.3
57.03440	1.0
57.05821	1.3
60.04515	1.0
60.05634	0.9
64.96931	0.7
67.05484	1.5
69.03419	2.7
69.07070	2.8
70.06589	10.8
70.07293	1.9
70.07690	1.7
70.95856	2.3
71.04996	1.6
71.35957	0.7
72.08150	100.0
72.93770	3.7
74.06096	1.3
75.17453	0.9
79.05485	1.8
79.46039	0.7
80.47852	0.7
81.03412	3.3
81.07053	1.7
83.04981	2.8
83.08585	1.2
84.04490	1.3
84.08145	5.3
84.96035	2.2
85.02890	2.6
86.06057	1.2
86.09701	77.3
87.04478	0.9
87.10069	0.9
88.96910	0.8
90.94807	2.7
91.05482	2.6
93.07060	2.1
95.08613	0.9
97.02882	3.1
97.06525	0.8
98.06052	1.8
98.20802	1.0
98.97595	2.9
99.04445	2.3
103.03937	1.9
103.16125	1.2
104.07121	1.4
107.04999	0.8
107.08610	0.8
108.95854	1.0
109.02883	2.6
113.96369	1.4
114.05577	0.8
116.07043	0.9
116.98591	4.3
118.08671	4.4
119.04997	1.0
120.08089	4.5
124.07558	1.8
126.05466	0.7
127.03912	10.6
128.04195	0.9
129.10229	32.2
130.06564	1.2
130.08624	0.9
130.12344	0.9
131.00168	2.2
131.97435	1.9
132.10197	12.1
132.95848	4.1
134.99637	2.6
135.09145	8.5
136.07556	3.9
139.03210	2.0
139.40584	0.7
140.96333	1.5
140.98587	0.9
142.03220	2.0
142.97911	1.4
143.11781	42.0
147.04384	1.8
149.01231	3.4
150.96901	5.4
153.00758	1.0
153.01941	0.9
155.97437	1.4
157.09720	13.1
157.13344	8.8
158.97386	11.3
158.99579	5.0
160.05042	1.9
160.99034	1.2
161.01245	2.9
162.99104	1.1
164.07095	1.3
165.99541	1.6
167.02304	1.2
171.11278	9.8
172.98933	1.6
173.98500	1.7
175.11937	2.0
176.04440	0.9
176.98454	12.9
177.00696	12.0
181.98999	7.7
182.97331	0.9
184.00591	1.1
184.98941	3.6
185.03720	5.0
185.12897	3.0
186.99142	1.7
187.06052	1.8
189.12354	10.3
191.02292	1.2
192.07651	0.8
195.01752	4.5
200.00050	4.3
200.98442	17.0
201.00677	2.5
205.00217	1.3
211.06207	1.5
218.99554	2.7
219.01772	7.2
223.01703	1.0
224.00024	3.4
228.97957	1.7
229.07118	0.9
231.16971	0.9
237.02847	2.2
242.01199	4.5
242.03391	1.3
242.05968	1.0
243.14850	2.0
246.99091	1.8
252.16147	1.1
256.08350	1.6
265.00043	3.5
270.13278	1.2
270.17044	1.3
271.14484	3.2
283.03482	5.6
288.01611	1.6
288.06119	8.8
288.10529	2.4
288.17245	1.8
288.20169	2.2
289.11838	1.7
289.15335	1.5
301.04373	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	288.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.3
56.05017	1.2
56.96559	42.8
58.06584	2.2
60.04515	2.1
60.05651	1.9
62.27243	0.7
67.05482	1.1
69.03417	2.0
69.07053	2.2
70.06585	12.6
70.32362	3.3
71.95265	0.7
72.08147	5.6
72.93784	1.3
74.06057	2.3
81.03422	1.2
81.07021	1.2
84.04502	2.8
84.08138	9.4
84.96029	9.7
85.02885	1.2
86.06059	0.9
86.09697	22.2
88.03981	1.1
90.94832	1.0
91.05483	1.4
96.08115	1.5
98.06050	0.9
98.97579	15.0
99.04456	0.7
100.07629	0.8
102.05547	1.0
102.97063	1.4
104.07098	2.4
107.32336	0.8
108.95818	0.9
110.07156	1.9
112.08753	0.9
112.99134	5.0
116.07073	1.6
116.98612	14.2
118.42192	0.8
120.08099	3.2
123.08102	1.2
124.07576	14.5
128.98631	1.2
129.10162	4.1
130.08636	0.7
131.00154	12.6
132.08026	0.7
134.99657	9.2
137.05888	0.8
138.09120	1.5
140.98561	8.1
143.00101	4.0
144.98108	2.1
146.99651	1.9
147.04379	2.8
149.01210	16.4
150.96913	1.6
153.00705	1.2
157.13356	2.6
158.01280	1.0
158.97461	2.0
158.99640	31.9
161.01201	12.5
162.99146	4.9
163.78934	0.9
165.00668	0.7
166.08636	1.1
167.02307	3.6
167.07007	0.8
173.01198	5.4
175.10735	2.0
175.11993	1.6
176.98283	2.6
177.00696	100.0
179.02263	2.9
181.99028	1.2
182.01128	0.8
184.02788	1.1
185.01151	1.2
185.12811	1.7
186.99138	1.6
191.02261	7.3
195.01752	26.3
200.00095	1.4
200.02275	3.9
200.98489	2.9
201.00664	20.6
205.00177	3.9
210.11235	1.3
214.03812	1.0
219.01733	45.7
222.11302	0.8
223.01241	3.0
224.00070	1.0
229.00269	1.4
237.02794	12.6
242.01122	0.9
242.03369	2.6
246.98848	0.8
247.01237	2.1
252.12262	1.0
265.02286	6.6
270.13535	0.8
282.04941	0.9
283.03342	46.9
288.05951	2.2
288.20331	4.2
301.04425	19.1
306.04913	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	287.2368
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
53.03926	1.6
55.01843	1.0
55.05503	7.1
56.96565	7.6
57.03441	1.0
57.07052	2.1
59.04983	1.2
65.03916	1.1
67.05505	9.2
68.99780	2.6
69.03401	2.5
69.07062	10.4
69.28439	2.4
69.28856	5.5
70.06582	1.0
71.04980	8.7
71.08623	1.4
72.93765	0.9
73.06547	0.9
79.05482	10.1
81.03409	1.2
81.07050	28.1
83.04955	1.8
83.08607	3.4
85.06541	0.9
86.09705	1.1
87.34155	0.7
91.05482	9.6
93.07031	17.2
95.04954	3.4
95.08597	20.6
97.02870	2.0
97.06508	6.2
97.10128	2.2
98.06844	1.1
98.97564	2.2
99.08072	1.8
103.05460	1.5
105.07026	28.8
107.04926	2.5
107.08581	20.1
109.02877	1.1
109.06501	1.7
109.10147	12.8
111.00771	1.9
111.04439	0.9
111.08076	1.2
111.11702	1.6
113.09669	1.1
115.05441	1.5
116.98611	1.0
117.06998	4.8
119.08572	31.1
121.02841	7.6
121.10130	16.6
123.08045	1.5
123.11690	6.2
125.09603	2.6
126.80533	0.7
127.11176	7.2
129.06996	3.1
130.07780	2.2
131.08557	10.8
133.02812	0.8
133.10109	13.5
134.99648	0.9
135.08031	1.2
135.11642	5.8
137.02303	1.0
137.09645	1.7
137.13232	0.9
141.07018	0.8
142.07785	1.7
143.00124	1.1
143.08553	5.7
144.09288	1.4
145.06485	1.0
145.10101	24.4
146.10583	0.9
147.04346	1.4
147.11674	15.0
149.09570	1.6
149.13228	5.9
151.11156	1.4
153.01801	12.1
156.09366	1.0
157.06433	1.8
157.10114	9.6
158.97359	2.1
159.08066	0.8
159.11674	19.2
161.01186	2.2
161.06058	0.8
161.09633	1.2
161.13257	9.8
163.03903	2.5
163.11211	1.0
163.14841	1.4
164.04160	0.9
165.01880	4.0
165.12672	1.6
169.10085	0.8
171.11661	7.1
173.02335	1.3
173.13239	9.8
175.11185	0.9
175.14777	4.3
176.98471	2.2
177.12791	1.2
177.16345	0.9
179.14279	1.3
181.70506	0.8
181.98959	0.9
183.02875	1.0
184.98907	1.0
185.13243	6.3
187.11139	1.0
187.14774	3.3
189.12877	1.0
189.16365	4.4
191.07014	2.2
191.14227	1.1
193.15910	0.8
197.06024	1.0
197.13188	0.8
199.14842	6.8
200.98497	1.7
201.16362	40.2
202.16757	1.0
203.14238	1.0
203.17923	1.0
207.01692	0.9
213.05460	2.5
213.16397	7.0
215.07047	1.5
215.17928	3.2
217.15897	0.9
219.01668	1.8
227.17946	1.4
229.19514	1.6
231.06639	0.9
231.17433	1.7
241.05014	2.2
242.01196	1.3
245.11887	0.9
258.05127	2.0
259.09671	2.2
260.09952	2.3
267.03751	0.8
269.22589	14.3
273.13513	0.9
285.04877	1.1
287.05472	100.0
287.13251	3.8
287.16586	1.7
287.20187	2.1
287.23651	37.8
288.05817	9.6
288.24036	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	287.2003
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
50.18363	1.4
52.65659	1.3
55.01860	2.4
55.05495	7.0
56.96552	3.7
57.03429	3.3
57.07061	4.5
57.59912	1.7
59.04984	2.4
65.03930	1.8
67.05504	12.1
68.99777	2.9
69.03412	2.9
69.07078	8.9
71.04980	3.1
71.60551	2.6
79.05477	9.6
79.34706	1.5
81.03399	2.0
81.07050	13.4
83.04966	3.4
83.08607	3.6
85.06538	2.3
91.05475	13.6
93.07041	18.8
95.04964	12.5
95.08602	12.7
97.06538	9.2
104.10738	1.6
105.07021	20.3
107.04951	3.2
107.08585	19.6
109.06500	7.1
109.10154	10.6
115.05406	2.0
116.98631	2.2
117.07006	7.1
119.08600	19.6
121.02856	6.8
121.06483	4.0
121.10137	18.8
123.08049	6.0
123.11714	3.2
125.09583	2.8
128.06210	4.5
129.07008	5.7
130.07809	1.8
131.08580	17.1
133.10138	14.5
134.99612	2.1
135.08041	7.2
135.11693	4.6
142.07779	6.8
143.08546	11.4
144.09320	2.6
145.06503	2.0
145.10129	16.3
147.08011	4.2
147.11708	7.6
149.09615	10.5
149.13248	3.5
151.11121	3.0
153.01813	11.2
155.08498	4.3
156.09343	6.4
157.10130	15.4
158.10904	4.9
158.97488	1.7
159.08081	2.5
159.11679	16.1
161.09586	4.4
161.13268	3.7
163.11131	2.5
165.01860	2.2
169.10156	5.3
170.10887	7.4
171.11688	14.8
172.12469	4.1
173.09595	4.2
173.13228	24.2
175.11185	3.5
175.14899	2.7
177.12727	1.9
181.10239	2.1
183.02930	1.7
183.11676	4.1
185.13264	10.1
186.14023	4.0
187.11166	5.1
187.14804	6.9
189.12714	3.9
190.95412	2.3
191.07103	2.9
191.10635	1.6
191.14328	4.8
194.10951	1.5
195.11676	5.6
197.13193	2.4
199.11237	2.4
199.14854	4.1
201.16438	4.1
203.14334	5.4
208.96478	2.9
211.14830	3.9
213.05481	3.1
213.12801	9.7
213.16212	1.7
225.16342	2.0
227.14305	4.3
227.17950	3.0
229.15933	4.1
231.13704	8.8
241.05017	2.2
241.19437	3.8
251.17914	4.3
253.56699	1.6
269.18988	29.4
287.05493	100.0
287.13504	2.4
287.16730	2.6
287.20084	55.3
287.23584	6.5
288.05872	8.8
294.73453	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	287.0548
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03934	0.2
55.01856	0.5
55.05495	0.3
57.03465	0.1
59.46835	0.1
65.03925	0.2
67.01855	0.3
67.05488	0.3
68.99421	0.2
68.99783	2.0
69.03406	0.3
70.11679	0.2
70.12087	0.3
71.01321	0.1
71.04977	0.4
72.20119	0.1
79.05483	0.7
80.45393	0.1
81.03402	0.4
81.07036	0.3
83.08586	0.1
87.04447	0.1
91.05452	0.3
93.07027	0.1
95.04961	0.3
95.08587	0.2
97.06527	2.2
97.10146	0.2
103.05451	0.2
105.03392	0.6
105.07019	0.2
107.04943	1.0
107.08545	0.1
109.02865	0.6
109.10147	0.2
111.00797	1.2
111.04445	0.5
111.77163	0.1
115.05457	0.2
117.06988	0.3
119.04907	0.2
121.02859	6.2
121.03828	0.2
121.06454	0.1
127.03929	0.2
129.07011	0.5
131.04871	0.1
133.02843	0.7
133.10126	0.1
135.04413	0.4
135.08043	0.2
137.02325	1.9
141.06958	0.3
145.06537	0.5
147.04393	1.4
153.01813	9.1
157.06494	1.4
161.05986	0.4
163.03847	0.2
165.01823	3.1
166.02563	0.1
169.06410	0.1
171.03072	0.1
171.04384	0.6
175.03859	0.1
177.12708	0.1
179.03467	0.1
183.02878	1.6
184.05316	0.1
185.05954	1.1
189.05429	0.3
194.02107	0.2
195.13829	0.9
197.05992	0.3
201.05490	0.2
203.03479	0.2
203.07007	0.3
212.04469	0.1
213.05437	2.6
213.14850	0.3
216.04330	0.1
217.04898	0.1
229.04893	0.5
231.06511	1.4
241.04929	1.3
243.06514	0.2
245.04431	0.2
258.05240	2.0
259.05963	0.7
263.05035	0.1
269.04453	0.3
269.17371	0.2
286.04611	0.1
287.05472	100.0
288.05835	2.1
302.18710	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	287.0547
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03927	0.2
55.01873	0.2
56.96556	0.5
62.52422	0.2
65.03933	0.5
67.01849	0.5
68.99437	0.2
68.99783	2.3
69.03423	0.3
69.69287	0.2
70.07904	0.4
70.08321	0.7
71.48611	0.2
79.05471	0.8
81.03407	0.4
81.07052	0.3
85.02897	0.2
91.05469	0.3
95.04942	0.6
105.03399	0.9
105.07027	0.4
107.04956	1.1
107.08608	0.2
109.02864	0.6
109.10101	0.2
111.00784	1.6
111.04458	0.5
115.05405	0.2
117.06979	0.2
121.01986	0.4
121.02859	7.1
127.03960	0.3
128.06242	0.2
129.06985	0.4
131.08517	0.3
133.02855	1.0
133.10075	0.2
135.04333	0.2
135.08070	0.2
137.02336	2.1
141.06992	0.4
145.06430	0.5
147.04401	1.4
151.68506	0.2
153.01819	10.8
155.01906	0.2
156.01994	0.3
157.01578	1.3
157.06447	1.4
161.05974	0.5
165.01817	4.4
171.01355	0.7
171.02934	0.3
171.04434	0.8
172.01335	0.9
173.01062	6.5
173.13123	0.2
173.91641	0.2
174.99033	0.3
180.03238	0.2
183.02823	1.7
185.05939	1.2
196.02707	0.4
197.05927	0.3
213.05464	3.0
223.09929	0.6
229.04958	0.6
231.06505	1.3
238.09964	0.3
239.09427	1.6
241.00232	0.3
241.04930	1.5
245.04477	0.3
258.05243	2.2
259.06055	0.7
269.04349	0.5
272.93500	0.2
286.05011	0.2
287.05475	100.0
287.20099	0.7
288.05817	2.2
305.17838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34657	0.3
55.05505	0.4
63.41661	0.3
63.51954	0.3
63.73607	0.3
65.03918	0.6
67.01868	0.4
68.99780	2.5
69.03405	0.5
69.07038	0.5
70.73141	0.6
70.73515	0.6
71.86714	0.3
79.05466	1.0
81.03410	0.4
81.07029	0.6
86.09616	0.4
95.04944	0.3
95.08599	0.4
95.14951	0.4
105.03319	0.8
107.04930	1.3
109.02876	0.7
111.00816	1.6
111.04440	0.5
119.04951	0.4
121.02856	6.9
127.03838	0.5
128.06140	0.4
129.06961	0.4
133.02843	1.1
135.04442	0.4
136.07521	0.8
137.02316	1.9
141.06990	0.7
145.06517	0.5
147.04408	1.5
153.01823	11.0
155.44106	0.3
157.06432	1.5
165.01828	3.8
167.38025	0.3
171.04401	1.1
183.02919	1.6
185.06009	1.1
201.05446	0.4
213.05476	3.7
231.06592	1.5
241.04971	2.0
258.05243	2.3
259.05975	0.6
275.27197	0.3
287.05478	100.0
288.05722	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03951	0.2
53.06908	0.1
55.01864	0.2
55.50766	0.1
58.68173	0.1
65.03931	0.5
67.01860	0.5
68.99785	2.9
69.00164	0.2
69.03410	0.3
69.40388	0.6
71.01324	0.1
77.03961	0.1
79.05488	0.7
81.03410	0.4
81.77306	0.1
85.02880	0.1
91.05465	0.1
93.03394	0.1
95.01331	0.1
95.04974	0.5
97.02895	0.3
103.05460	0.3
105.03370	1.0
105.07030	0.1
107.04269	0.1
107.04946	1.4
109.02873	0.9
111.00796	1.6
111.04431	0.6
115.05433	0.3
117.07011	0.2
119.04939	0.3
121.02859	7.9
127.03913	0.3
128.06209	0.2
129.07013	0.5
131.04932	0.1
133.02838	1.1
135.04411	0.4
135.08105	0.1
137.02332	2.5
139.05432	0.1
141.06979	0.3
145.02802	0.1
145.06480	0.6
147.04388	1.5
149.02333	0.1
151.03848	0.1
153.01817	12.9
154.02145	0.1
155.04941	0.1
157.06468	1.8
161.02351	0.1
161.05962	0.5
163.03850	0.1
165.01826	3.8
166.02504	0.1
169.06438	0.2
171.02962	0.1
171.04356	0.7
173.05945	0.2
175.03899	0.2
175.07533	0.2
179.03383	0.1
183.02887	2.1
184.05199	0.1
185.05951	1.3
189.05455	0.3
193.01079	0.1
194.02135	0.2
197.05937	0.5
199.03845	0.1
201.05539	0.1
203.03401	0.2
203.07025	0.3
212.04536	0.1
213.05441	3.9
216.04271	0.2
217.04895	0.2
223.00296	0.1
223.03979	0.1
229.04909	0.6
230.05682	0.1
231.06479	1.5
240.04175	0.1
241.04935	1.9
242.05510	0.1
243.06512	0.2
245.04442	0.1
257.04456	0.1
258.05234	2.6
259.05988	1.0
263.05609	0.1
269.04388	0.4
286.04645	0.1
287.05469	100.0
288.05804	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	287.0547
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03933	0.2
55.01851	0.3
55.05493	0.3
56.96553	0.2
57.03416	0.1
61.32430	0.1
65.03917	0.4
67.01842	0.4
67.05485	0.2
68.99429	0.2
68.99780	2.5
69.03419	0.3
69.07040	0.4
69.50833	0.1
70.06586	1.0
71.04971	0.2
71.58134	0.1
71.58459	0.2
72.08133	0.3
79.05487	0.8
79.41562	0.1
81.03394	0.5
81.07043	0.5
82.77382	0.1
83.04974	0.2
83.08598	0.4
84.08109	0.5
85.06528	0.3
86.06063	0.2
86.09695	0.6
91.05445	0.4
93.07037	0.3
95.04966	0.7
95.08592	0.3
97.02827	0.2
97.06502	0.3
101.06017	0.1
103.05449	0.3
105.03377	1.4
105.06992	0.2
107.04950	1.4
109.02876	0.6
111.00804	1.6
111.04417	0.6
112.08684	0.2
115.05440	0.4
117.06948	0.2
119.04942	0.1
119.08607	0.1
120.08087	0.2
121.02854	7.7
122.03233	0.1
122.06023	0.2
123.04416	0.2
123.08014	0.2
127.03919	0.6
128.06189	0.2
129.07008	0.7
133.02821	0.9
133.10135	0.3
135.04372	0.4
136.07536	0.2
137.02316	2.3
141.06940	0.3
144.08124	0.1
145.02806	0.2
145.06456	0.5
145.10092	0.2
147.04388	1.5
153.01811	11.0
157.06482	1.6
158.99632	0.2
161.05995	0.6
163.03900	0.1
165.01823	3.5
166.02585	0.2
169.06485	0.2
171.02943	0.2
171.04424	0.8
175.03795	0.2
177.00711	0.2
177.05487	0.3
177.27881	0.1
183.02870	1.5
185.05952	1.1
189.05527	0.3
189.12621	0.2
197.06009	0.2
201.05545	0.2
203.07042	0.3
212.09464	0.2
213.05435	3.0
217.04979	0.2
226.12231	0.2
229.05002	0.5
231.06528	1.2
233.33708	0.1
241.04889	1.6
243.06396	0.2
258.02518	0.2
258.05200	2.2
259.05951	0.7
263.05695	0.1
269.04425	0.3
269.12796	0.2
283.03574	0.2
287.05463	100.0
288.05780	2.4
309.27927	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15652	0.1
53.03950	0.1
53.49279	0.1
55.01855	0.2
61.24289	0.1
65.03908	0.4
67.01853	0.4
68.99425	0.2
68.99776	3.0
69.03403	0.3
70.01820	0.7
79.05463	0.5
81.03396	0.4
85.02869	0.2
93.03367	0.1
94.04169	0.1
95.04947	0.5
97.02828	0.2
100.53353	0.1
103.05428	0.3
105.03377	1.1
107.04938	1.2
109.02179	0.1
109.02841	0.8
111.00777	1.4
111.04419	0.5
115.05416	0.2
117.06949	0.2
119.04912	0.2
121.02848	6.8
121.03857	0.3
121.04044	0.3
127.03920	0.3
128.06184	0.2
129.07063	0.3
133.02823	0.8
135.04381	0.4
137.02309	2.5
141.06949	0.4
145.03014	0.1
145.06482	0.9
147.04390	1.6
151.03841	0.2
153.01804	12.4
154.02098	0.2
157.06480	1.5
161.05956	0.3
165.01811	3.9
171.02951	0.3
171.04393	0.7
175.03867	0.2
175.07541	0.2
183.02872	1.9
184.03355	0.1
185.05946	1.3
189.05403	0.2
191.03651	0.1
197.05957	0.3
199.03827	0.2
201.05481	0.2
203.03375	0.2
203.06998	0.5
207.25629	0.1
213.05421	3.5
216.04280	0.2
217.05003	0.2
229.04938	0.6
231.06451	1.4
240.14162	0.1
241.04903	1.8
242.05605	0.2
243.06529	0.3
245.04314	0.1
258.05200	2.2
259.06027	0.7
269.04333	0.4
287.05444	100.0
288.05798	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.2
55.01855	0.6
55.05505	0.2
65.03934	0.5
67.01849	0.4
67.05493	0.2
68.99783	2.4
69.38287	0.2
69.38588	1.6
71.01351	0.2
71.04993	0.2
79.05478	0.7
79.10483	0.2
81.03396	0.5
81.07025	0.2
91.05458	0.2
93.07024	0.2
95.04946	0.6
97.06519	2.1
97.38166	0.2
98.13210	0.2
98.21497	0.3
103.05460	0.2
105.03382	0.7
107.04936	1.4
107.08537	0.2
109.02853	0.7
109.10139	0.3
111.00794	1.8
111.04420	0.6
115.05438	0.2
117.07011	0.2
119.04934	0.2
120.81950	0.2
121.02858	7.0
121.03844	0.3
127.03897	0.2
129.06969	0.5
133.02844	0.9
135.04381	0.5
137.02332	2.4
141.06978	0.5
145.06467	0.5
147.04405	1.6
153.01819	12.1
154.02122	0.2
157.06485	1.8
161.05937	0.5
165.01820	3.6
171.03033	0.2
171.04333	0.9
175.03813	0.2
183.02867	2.1
185.05948	1.5
189.05365	0.3
195.13950	0.8
197.05997	0.3
199.03976	0.3
203.06970	0.2
213.05449	3.9
213.14870	0.2
229.04982	0.5
231.06511	1.5
241.04897	1.5
252.92415	0.2
258.05206	2.5
259.06082	0.8
269.04352	0.3
287.05469	100.0
288.05798	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.1
54.23957	0.1
55.78008	0.1
56.23816	0.1
65.03918	0.3
68.99785	1.8
69.03415	0.2
69.35863	0.1
70.60252	0.5
79.05470	0.5
91.05434	0.1
95.04969	0.3
100.13698	0.1
103.05439	0.2
105.03353	0.6
107.04921	0.8
109.02879	0.7
111.00789	1.3
111.04420	0.4
113.29594	0.1
117.06900	0.1
119.04910	0.1
121.01982	0.3
121.02862	6.0
121.03854	0.3
127.03859	0.2
129.06964	0.4
133.02824	0.9
135.04433	0.2
137.02319	2.0
139.05389	0.1
141.06940	0.2
145.06416	0.3
147.04387	1.1
153.01811	9.0
157.06508	1.1
161.02213	0.1
161.05998	0.3
165.01819	3.3
169.06477	0.3
171.04413	0.5
183.02876	1.5
185.05995	0.9
189.05496	0.2
197.05963	0.4
203.03680	0.2
213.05432	3.0
229.04903	0.3
231.06458	1.3
241.04884	1.6
242.05386	0.2
246.74544	0.1
258.05225	2.1
259.06042	0.8
269.04419	0.2
287.05466	100.0
288.05780	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
53.84009	0.1
55.01873	0.1
55.05505	0.1
56.96563	0.1
65.00259	0.1
65.03925	0.3
67.01843	0.4
67.05495	0.1
68.99780	2.1
69.03426	0.3
70.00635	0.3
71.01329	0.1
76.66875	0.1
79.05488	0.8
81.03414	0.4
81.07027	0.1
85.02864	0.1
87.02430	0.1
89.03926	0.1
91.05449	0.2
93.03381	0.1
93.07052	0.1
94.04134	0.1
95.04949	0.5
95.08591	0.1
97.02872	0.2
97.06530	0.2
98.97581	0.1
103.05447	0.2
105.03374	0.8
105.07000	0.1
106.04147	0.1
107.04939	1.2
107.05611	0.1
109.02877	0.8
109.10143	0.2
111.00787	1.5
111.04413	0.6
115.05446	0.2
117.07005	0.2
119.04904	0.1
119.08539	0.1
121.02853	6.8
121.03883	0.2
121.06449	0.1
122.03167	0.1
125.09558	0.1
126.03025	0.1
127.03892	0.4
128.06216	0.2
129.07002	0.4
131.04877	0.1
133.02821	0.9
135.04393	0.3
135.11731	0.1
136.01579	0.1
136.07552	0.6
137.02327	2.3
137.03395	0.1
139.05457	0.1
141.06949	0.3
145.06487	0.6
147.04381	1.4
147.08055	0.1
147.11613	0.1
149.02272	0.1
151.03871	0.2
152.07079	0.1
153.01808	11.2
154.02211	0.1
155.05968	0.1
157.06456	1.5
158.99770	0.1
161.05969	0.5
163.03908	0.1
164.07037	0.5
165.01820	3.7
169.06445	0.2
171.02945	0.1
171.04372	0.8
172.58902	0.1
173.05942	0.1
175.03851	0.2
175.07561	0.1
183.02869	1.9
184.05176	0.1
185.05948	1.2
189.05444	0.3
193.15976	0.1
194.02071	0.1
197.05956	0.2
199.03868	0.1
201.05481	0.2
203.03336	0.2
203.06975	0.3
212.04529	0.1
213.05435	3.4
214.05917	0.1
216.04247	0.2
217.04909	0.2
229.04875	0.6
230.05547	0.1
231.06494	1.4
237.02773	0.1
240.04161	0.1
241.04900	1.7
242.05606	0.1
243.06569	0.2
245.04501	0.1
258.02448	0.1
258.05228	2.3
259.05963	0.8
263.05597	0.1
269.04437	0.3
270.05099	0.1
286.04706	0.1
287.05460	100.0
288.05792	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03938	0.2
62.29392	0.2
63.88470	0.2
65.03934	0.3
67.01859	0.4
67.31516	0.2
68.99783	2.3
69.03390	0.2
70.02879	0.7
78.97118	0.1
79.05486	0.8
81.03404	0.3
84.82810	0.1
95.04959	0.3
98.20827	0.2
103.05470	0.4
105.03373	1.1
107.04929	1.1
109.02852	0.7
111.00784	1.4
111.04427	0.5
115.05440	0.2
121.02856	6.9
121.03858	0.3
129.07060	0.3
131.04959	0.2
133.02815	1.0
133.06450	0.2
135.04425	0.3
137.02325	2.1
141.07021	0.2
145.06490	0.6
147.04395	1.4
153.01816	10.5
157.06470	1.4
161.02359	0.2
161.05995	0.4
162.68257	0.1
165.00510	0.3
165.01816	3.6
169.06454	0.2
171.02965	0.3
171.04321	0.8
175.03963	0.1
183.02890	1.9
185.05952	1.2
189.05399	0.3
194.02075	0.2
197.05965	0.3
203.06999	0.4
213.05461	3.3
229.04910	0.4
231.06496	1.5
241.04929	1.8
242.05447	0.2
258.05261	2.2
259.06015	0.8
269.04391	0.3
286.04608	0.1
287.05466	100.0
288.05820	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	286.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
55.05515	1.1
56.05024	1.3
56.96559	1.5
57.03419	0.7
59.04991	1.1
60.21077	0.5
61.02927	3.1
68.05034	0.8
69.03431	1.0
69.77783	3.0
70.06586	100.0
71.04976	3.4
72.08152	1.6
73.02885	0.4
79.05477	1.6
80.05026	0.7
81.03423	0.6
81.04560	0.6
81.07050	6.3
82.05315	1.0
83.06107	6.7
84.04505	1.3
84.08144	1.6
85.02907	1.8
86.09707	1.2
87.08096	0.8
93.04527	4.0
95.06075	8.7
96.04500	0.5
97.02903	1.1
98.97581	0.6
101.07201	0.6
104.07106	1.0
106.02905	1.1
107.06056	1.0
109.05094	1.4
110.07156	54.5
111.05544	1.1
112.07595	87.4
113.07917	0.9
116.07050	0.7
116.63519	0.5
116.98667	0.5
121.07612	1.3
124.03945	21.2
125.07109	0.6
126.07790	2.4
127.03977	0.5
127.06232	0.6
129.10257	0.8
130.04965	0.9
134.99594	0.6
136.00279	0.5
136.06131	1.2
137.04594	3.1
140.07053	52.8
141.07396	0.6
147.07573	1.1
150.05463	0.5
154.07220	9.1
156.07658	7.8
157.09691	4.0
163.12292	32.2
166.06114	1.4
169.13326	2.0
180.39061	0.5
190.13412	3.5
193.13333	0.6
197.12843	1.3
201.00699	0.6
208.14435	6.8
208.96555	0.5
210.16057	0.6
219.11238	1.0
236.13918	4.6
237.02893	0.6
240.13351	1.0
240.17024	5.8
241.15456	0.7
254.14972	13.5
268.12827	0.5
286.09061	3.8
286.14261	2.8
286.17563	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74300	0.7
52.69558	0.7
53.03956	0.7
55.05514	1.8
56.05022	2.0
56.96559	2.1
57.03423	1.4
58.12203	0.6
59.04993	2.7
61.02921	5.5
68.04996	0.9
69.03417	1.5
70.06586	94.8
71.04984	5.6
71.06911	1.4
71.32186	0.9
71.32525	0.9
72.08153	2.7
72.45601	0.7
78.10970	0.6
79.05492	2.3
80.05014	1.4
81.04512	0.9
81.07057	11.0
81.56193	0.7
82.05317	2.0
82.06584	0.7
83.06097	11.6
84.04500	1.3
84.08128	2.2
85.02902	2.9
86.09723	1.3
87.08092	0.9
90.94838	1.0
93.04524	6.9
95.06083	16.7
96.04475	0.8
96.51237	0.7
96.84039	0.9
97.02898	1.5
98.97581	0.9
101.07128	0.9
104.07071	0.8
107.06062	2.7
109.05109	2.4
110.03554	1.2
110.07155	100.0
111.05576	2.2
111.07462	1.0
112.07598	76.1
112.08789	2.6
113.07925	1.6
121.05102	0.8
121.07643	1.4
122.58704	0.8
124.03947	19.6
124.07552	1.2
126.07751	5.2
127.03881	0.9
127.06204	1.1
129.10284	0.7
136.06165	3.0
136.11307	0.8
137.04553	6.8
138.07736	1.4
140.07051	45.2
143.03442	0.7
146.09624	0.9
147.07654	1.3
154.07225	18.2
156.07672	12.6
157.09731	4.5
163.12296	50.5
164.12782	0.8
166.06065	1.9
166.07341	0.9
181.13249	0.7
188.07680	0.7
190.13388	7.3
193.13443	1.2
196.08209	0.7
201.00601	0.9
204.05411	1.1
208.14442	11.6
210.16081	1.0
212.15034	1.2
219.11288	2.2
221.35100	0.7
236.13901	8.5
240.13411	0.8
240.17026	7.7
241.15431	0.8
254.14961	19.5
286.09021	2.9
286.11472	2.8
286.17587	61.7
287.11002	2.2
287.18002	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	285.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84022	5.8
55.01868	9.2
55.05503	38.6
55.65541	5.0
57.03429	38.8
57.07051	16.4
65.37281	5.2
67.05161	9.7
67.05496	68.9
69.03416	11.1
69.07077	37.5
69.45805	16.9
69.46224	34.4
70.06578	7.8
71.04984	15.1
72.93773	13.3
77.52269	4.9
79.05482	57.0
81.03409	97.0
81.07043	79.6
83.04960	20.0
83.08606	50.7
85.02892	62.2
85.06522	8.1
86.51147	5.1
87.04438	4.8
88.07629	7.8
90.94839	5.3
91.05463	67.0
93.07030	59.6
95.04964	62.3
95.08599	66.3
97.02902	10.2
97.06506	9.8
97.10149	6.6
105.07020	76.5
107.04925	11.4
107.08582	46.4
109.06496	15.5
109.10137	34.0
111.04418	8.5
111.08068	19.1
117.06983	15.3
119.08561	65.7
119.66383	5.5
121.10138	68.0
123.08060	11.0
128.06213	6.6
129.06984	29.3
131.08539	43.1
133.10138	32.2
135.08047	9.6
135.11671	9.6
141.07005	6.5
142.07784	9.5
143.08592	38.7
144.09340	10.7
145.10100	43.0
146.97411	9.5
147.08044	7.5
147.11670	30.2
149.09569	9.0
150.38245	6.0
155.08559	12.8
156.09309	9.2
157.10120	60.1
158.97472	5.9
159.08034	11.5
159.11636	29.1
161.09586	11.4
163.11156	9.3
164.98424	19.0
165.12704	7.8
169.10129	13.4
171.11676	30.7
173.09607	13.5
173.13232	23.6
175.11163	31.5
177.09096	8.5
179.08630	7.3
183.11626	14.1
185.13248	12.5
187.11133	10.9
187.14740	10.6
191.10547	7.0
193.12219	87.0
195.11682	6.3
197.09500	11.4
197.13261	15.0
199.14821	31.3
201.12851	6.2
209.13229	9.4
211.11365	10.6
211.13193	58.7
211.14751	5.9
214.17215	7.7
215.10652	8.0
225.16379	17.5
227.14172	8.7
229.12201	11.4
239.17917	16.7
243.17595	13.8
257.18994	10.8
267.17328	20.8
285.18875	100.0
285.29773	55.8
286.31030	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	286.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
55.05500	0.8
56.05030	1.3
56.96558	0.6
57.03431	3.0
57.04550	0.8
59.04985	1.1
61.02920	5.0
68.05025	1.0
69.03412	2.3
69.07065	0.5
69.08875	0.5
70.06585	44.1
71.01344	1.0
71.04989	3.1
71.43560	0.8
72.08146	1.8
73.02908	2.1
79.05466	1.9
80.05014	1.1
81.04529	1.3
81.07050	8.0
82.04044	1.6
82.05315	1.1
83.06097	7.6
84.04507	1.0
84.05624	1.4
84.08141	2.5
85.02905	3.2
86.09715	0.7
87.08099	0.6
93.04525	4.9
94.04043	1.6
95.06082	10.1
96.04455	1.2
96.05608	0.6
97.02882	2.1
98.03565	0.5
98.06039	0.6
98.97562	0.5
99.06680	0.6
100.02110	0.5
104.07116	0.8
106.02898	0.9
106.06548	1.5
107.06068	2.0
109.05120	13.9
110.03536	3.1
110.07156	62.9
111.05560	1.7
111.06676	1.3
112.05086	2.8
112.07594	32.5
112.08691	2.5
114.05450	0.6
115.03918	0.9
116.07114	1.1
116.98593	0.7
119.03532	2.2
121.05093	2.9
121.07586	1.1
123.06680	0.6
124.03947	28.2
124.07579	1.8
125.04559	1.4
125.07002	1.9
126.05386	0.8
126.07753	29.7
127.06176	5.7
128.04535	1.2
129.10191	0.6
133.05009	0.8
136.06171	13.0
137.04575	37.6
137.06857	1.5
137.11496	0.5
138.04903	0.7
138.07733	7.4
140.07047	18.0
146.09659	0.6
148.06183	0.7
149.06950	0.5
150.07730	1.6
151.06120	0.6
152.05666	0.8
154.07222	100.0
155.05637	1.8
155.07613	1.3
156.07669	7.6
156.08800	0.5
157.09718	1.8
162.07796	1.2
163.06139	0.7
163.12292	33.2
166.06052	1.0
166.07243	1.5
168.08818	1.2
176.07587	0.6
178.07220	1.1
185.09186	0.6
186.07677	0.8
190.13390	4.9
193.13361	0.5
196.08272	2.2
204.05487	0.6
204.08806	2.4
208.14421	6.5
210.15988	0.8
212.15228	0.6
219.11316	1.1
220.08258	0.6
226.09273	2.1
232.08305	1.1
236.13867	4.6
240.13382	0.5
240.17018	5.7
250.09236	1.9
254.14989	12.2
258.11871	1.4
268.10452	4.2
268.16553	0.6
269.08563	0.8
286.09134	2.6
286.11584	18.8
286.17575	37.3
287.05450	0.8
303.77066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01856	4.9
55.05505	36.4
57.03188	4.1
57.03436	58.4
57.07059	2.9
59.93093	2.8
61.74739	2.6
65.03920	3.9
65.39841	3.2
67.05175	3.9
67.05502	52.5
68.87639	3.7
69.03416	7.0
69.07082	14.8
71.04992	14.4
74.99787	3.0
75.54331	3.1
79.05489	41.9
81.03413	95.9
81.07052	63.2
83.04971	25.6
83.08614	37.9
85.02900	91.5
91.04958	5.1
91.05481	64.4
93.07057	31.0
95.04974	48.7
95.08597	24.8
97.02866	4.8
97.06512	9.4
97.10157	7.3
103.65454	2.7
105.07028	46.0
107.04933	9.1
107.08590	16.6
109.06520	7.8
109.10137	9.0
111.04426	4.9
111.08075	27.7
113.06008	10.4
119.08584	33.7
121.06502	3.5
121.10133	23.9
123.08057	5.9
123.11652	3.9
129.06990	18.8
131.08578	22.4
133.06461	5.3
133.10149	22.6
135.11664	2.9
137.09645	3.1
142.07773	4.9
145.10109	4.9
147.08011	3.5
147.11687	30.9
149.09583	12.3
155.08392	2.8
157.10161	25.2
165.12698	6.0
175.11172	36.5
193.12234	100.0
194.12541	2.8
211.13264	66.1
285.16919	53.4
285.29953	5.3
285.33249	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	285.1694
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03934	3.6
55.01853	4.4
55.05269	1.6
55.05508	20.8
56.96562	2.2
57.03432	37.9
59.04974	1.6
61.02885	1.5
63.00025	1.4
65.03947	1.8
67.05176	2.3
67.05499	31.4
68.61802	1.2
69.03423	6.4
69.07063	15.6
69.27393	10.1
69.27829	4.7
71.01353	1.5
71.04983	6.7
77.16085	1.4
79.05066	1.8
79.05491	30.5
81.03413	100.0
81.06589	2.0
81.07051	36.4
82.07355	1.3
83.04974	13.3
83.08150	2.1
83.08614	37.3
85.02898	64.2
85.06496	2.6
91.05475	40.3
93.06486	1.5
93.07038	22.4
95.04370	2.1
95.04961	41.0
95.08155	1.1
95.08596	14.5
96.60532	1.3
97.02887	7.8
97.06529	8.9
97.10124	5.3
98.20763	3.1
99.08080	1.7
103.05454	2.1
105.06378	2.3
105.07020	29.7
107.04935	6.7
107.08590	10.9
109.06544	6.8
109.10118	4.2
111.04409	4.5
111.08083	20.0
113.05983	4.5
113.60775	1.3
115.05388	1.7
116.53272	1.3
116.98480	1.7
117.06978	2.7
119.01849	1.6
119.08561	25.9
121.06520	1.8
121.10138	12.1
123.08022	4.5
123.11688	4.3
125.09562	1.9
129.07010	14.2
131.08568	12.8
133.03419	1.9
133.06445	3.3
133.10112	10.0
135.11530	1.5
137.09604	2.6
142.07751	4.8
145.10066	3.8
147.07942	3.0
147.10654	1.9
147.11685	22.9
149.09593	8.7
157.10110	18.9
161.02901	1.7
165.12715	7.9
175.09755	2.2
175.11172	23.5
193.12238	86.5
194.12418	2.1
203.60951	2.1
211.13284	54.8
229.14374	3.0
267.15891	8.2
270.12482	2.3
285.16879	46.6
285.21915	3.0
285.29572	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01865	2.4
55.05503	8.6
57.03435	13.2
65.03943	0.9
67.05500	16.7
69.03421	3.4
69.07068	5.4
70.21423	3.4
71.01344	1.0
71.04979	3.8
79.05486	17.4
81.03410	100.0
81.07044	18.7
83.04970	7.5
83.08613	21.3
85.02898	15.1
85.06540	1.4
91.05469	22.3
92.05803	1.4
93.07037	13.3
94.07352	1.5
95.04963	30.3
95.08600	4.9
97.02900	2.6
97.06532	2.3
97.10136	2.2
103.05440	1.4
105.07018	17.4
107.04948	6.1
107.08566	5.2
109.06500	3.3
109.10145	2.7
111.04428	3.2
111.08076	13.2
113.06023	2.2
115.05395	1.4
117.07034	1.1
119.04919	4.3
119.08567	13.6
120.05289	2.5
121.06470	7.1
121.10120	7.4
122.06799	4.8
123.08017	1.7
123.11725	1.8
125.09682	1.1
128.06218	1.8
129.07002	10.4
131.08554	8.5
133.06514	3.9
133.10138	6.3
137.09608	1.3
142.07782	3.4
145.10152	2.1
147.04382	11.6
147.08034	2.8
147.11687	12.1
148.04739	13.0
149.09610	5.8
157.10115	12.6
165.12730	4.4
165.67792	1.0
175.11183	13.2
193.12227	53.4
211.13306	16.2
229.14313	1.3
243.11397	2.8
253.08595	1.5
267.15881	11.2
285.12692	4.7
285.16849	12.8
285.22067	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49220	1.0
53.03931	3.3
55.01854	2.6
55.05508	10.9
56.96554	1.6
57.03184	1.2
57.03432	14.7
60.67889	1.2
65.10162	0.9
67.05494	19.4
69.03419	6.7
69.07043	4.4
71.04974	4.3
71.50288	1.6
72.29236	1.1
79.05067	1.3
79.05484	17.5
81.03409	100.0
81.07047	20.0
83.04982	7.4
83.08611	22.1
83.40932	1.0
85.02415	1.7
85.02895	22.8
85.06557	1.3
91.04954	1.7
91.05472	19.4
93.07031	12.2
95.04955	30.2
95.08607	7.9
97.02879	3.0
97.06516	3.1
97.10144	1.5
98.71159	0.9
105.07021	17.5
107.04951	6.3
107.08584	7.0
109.06490	3.2
109.10146	2.8
111.04414	2.2
111.08080	11.0
113.05987	1.6
115.05448	1.4
117.07003	2.5
117.74937	0.9
119.08569	14.4
121.06494	2.4
121.10137	6.7
123.08040	3.5
123.11706	1.1
125.09563	2.0
129.06989	9.9
131.08571	7.0
133.06438	3.3
133.10118	5.4
142.07797	2.5
145.10092	2.8
147.08041	2.9
147.11678	9.6
149.09647	7.0
155.08543	1.4
156.71426	0.9
157.10112	12.2
165.12724	2.9
173.47359	1.0
175.11148	12.9
193.12230	48.8
197.90111	1.0
199.14847	2.2
211.13249	13.9
214.67682	1.0
225.09238	1.2
234.36067	1.1
253.08594	2.7
267.15878	11.2
285.04224	1.3
285.11951	2.0
285.16904	11.4
285.22006	2.7
303.04993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
54.47649	1.2
55.01860	3.6
55.05306	1.3
55.05512	15.1
57.03435	22.1
67.05498	22.2
69.03431	2.9
69.07062	5.5
69.47795	8.0
69.48220	5.7
71.01357	1.8
71.04977	4.4
79.05489	23.0
81.03411	100.0
81.07047	23.1
83.04994	9.2
83.08607	23.6
85.02898	32.2
91.05474	24.5
93.07033	13.5
93.94242	1.4
95.04961	29.6
95.08593	6.9
97.02895	3.2
97.06513	4.6
97.10162	1.5
105.07024	17.1
107.04953	7.2
107.08572	5.7
109.06506	3.5
109.10115	2.3
111.04417	2.5
111.08077	16.5
113.05972	1.6
113.58621	1.4
115.05463	2.0
117.07011	1.7
119.08576	17.6
121.10143	8.1
129.06990	10.8
131.08559	11.2
133.06453	4.2
133.10106	7.6
137.09570	2.1
142.07800	2.4
147.08022	3.2
147.11691	13.0
149.09612	7.5
151.56485	1.4
157.10121	13.3
165.12788	2.7
174.98669	1.5
175.11176	16.3
193.12228	54.4
211.13264	23.7
229.14345	1.9
235.52869	1.6
260.30890	1.7
267.15881	6.3
285.16980	18.6
290.72198	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	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01865	3.0
55.05509	8.6
57.03430	9.9
61.30622	1.2
65.05725	1.2
66.78855	1.2
67.05502	17.4
69.03407	2.1
69.07052	4.3
71.04992	2.5
79.05492	17.7
80.95504	1.2
81.03413	100.0
81.07059	15.6
83.04967	6.9
83.08616	19.5
85.02900	16.7
91.05476	16.7
93.07048	9.7
95.04961	28.7
95.08611	7.3
97.02903	2.6
97.06524	2.3
99.08079	1.5
105.07028	16.4
107.04951	5.6
107.08603	4.2
109.06483	2.8
109.10201	1.5
111.04501	1.7
111.08083	11.4
113.05989	2.0
115.05434	1.8
117.06995	1.9
119.08569	14.7
121.06506	2.3
121.10137	6.0
123.08075	2.2
123.11689	2.0
124.85342	1.7
129.06996	7.0
131.08560	8.1
133.06461	3.0
133.10132	5.1
137.09615	1.9
142.07767	2.7
147.08041	3.0
147.11685	12.2
149.09601	5.6
157.10149	14.4
165.12767	4.6
175.11186	15.4
193.12224	50.8
211.13297	16.2
243.11131	1.2
267.15845	10.1
285.03894	2.0
285.17001	11.6
307.45178	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	Hysterone D
Peak:m/z	Relative Intensity
53.03930	5.1
54.96156	0.8
55.01859	4.8
55.05261	1.7
55.05508	25.2
56.37695	0.8
57.03435	39.0
57.07072	1.2
65.03935	2.3
67.05499	42.0
69.03423	5.4
69.07064	9.9
70.01949	0.9
71.04983	9.5
79.05486	37.9
81.03412	100.0
81.07053	47.4
83.04970	19.8
83.08614	31.7
85.02898	66.9
85.06519	4.3
86.09689	1.1
91.05475	47.9
92.50346	0.8
93.07040	28.4
95.04963	41.5
95.08598	22.7
97.02876	4.1
97.06537	6.5
97.10162	3.8
99.04462	1.0
99.08099	1.8
101.06062	1.2
105.07027	32.8
106.50379	0.9
107.04943	8.4
107.08585	11.5
109.06493	8.2
109.10155	6.0
111.04423	4.2
111.08077	19.0
113.06001	5.5
115.05426	2.6
117.07001	2.3
119.04958	1.6
119.08571	28.5
121.06489	2.7
121.10142	17.8
121.85601	0.9
123.08042	4.3
123.11702	3.5
125.09579	2.0
128.06221	1.3
129.06990	14.6
131.08562	15.2
133.06499	2.8
133.09230	1.3
133.10136	15.2
135.07994	1.1
135.11667	1.4
137.09610	2.1
137.13243	1.1
142.07748	3.7
145.10115	3.0
147.08038	3.4
147.11673	24.1
149.09619	10.0
151.11163	1.3
157.08916	1.8
157.10126	20.5
161.87788	1.1
163.11192	1.5
165.12708	6.1
175.11162	24.8
191.90781	0.9
193.12230	76.4
203.17874	0.9
211.13271	45.2
212.13620	1.1
229.14284	2.1
229.93463	1.1
253.08556	3.5
259.08539	3.2
267.15958	6.3
285.04114	1.3
285.12018	2.0
285.16949	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
55.01877	5.8
55.05255	2.1
55.05506	27.5
57.03434	47.4
65.03928	2.3
67.05501	39.5
69.03427	8.2
69.07062	10.2
70.06570	1.3
71.04985	11.8
71.47254	1.7
79.05488	43.6
81.03413	100.0
81.07053	56.4
83.04974	21.3
83.08137	2.2
83.08614	37.0
85.02900	73.8
85.06525	8.8
87.04472	1.5
90.56361	1.1
91.05476	54.7
92.05770	2.1
93.07037	36.6
95.04967	43.3
95.07968	1.3
95.08595	21.5
97.02866	3.7
97.06494	6.9
97.10149	3.4
99.08087	2.8
103.05487	2.1
104.05813	1.7
105.07014	36.1
107.04946	6.1
107.08575	12.9
109.06496	7.8
109.10181	6.3
111.04424	3.8
111.08070	24.0
113.05994	5.5
115.05420	2.2
117.06995	2.4
119.04939	4.8
119.08562	31.5
120.05225	2.6
121.06500	8.5
121.10135	17.3
122.06832	4.7
123.08062	4.0
123.11714	5.1
125.09635	2.7
127.07563	3.9
129.07001	15.2
129.09093	2.5
131.08548	17.6
133.06487	4.6
133.10121	18.0
135.08051	1.8
135.11685	1.2
137.09615	3.2
139.11180	2.1
142.07777	4.4
143.08514	1.5
145.10112	2.9
147.04401	17.1
147.08041	4.5
147.11664	27.8
148.04756	17.0
149.09604	11.2
157.10115	24.4
163.11130	1.4
165.12735	6.2
175.11166	32.8
181.06796	1.2
193.12230	97.9
194.12566	1.4
201.16640	1.3
211.13275	61.2
229.14346	2.8
239.02116	1.6
249.18411	2.1
253.08495	1.3
257.03452	1.5
267.15881	7.2
285.13156	3.6
285.16940	57.2
285.20181	2.7
286.17307	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	284.128
Annotation	N-P-Coumaroyltyramine
Peak:m/z	Relative Intensity
50.77063	0.2
51.02382	0.2
53.03938	0.8
55.01866	0.3
55.05493	0.2
64.68601	0.2
65.03928	0.5
67.05492	0.3
69.02898	0.2
69.83452	1.3
79.05499	0.4
81.03416	1.4
81.07021	0.4
81.94262	0.2
83.08581	0.4
91.05473	12.7
93.07036	8.6
95.04968	2.4
95.08566	0.3
103.05467	6.5
105.04515	0.6
105.07041	0.3
119.04931	19.7
119.08678	0.3
120.05264	0.3
121.06493	46.6
122.06852	0.7
128.68263	0.2
131.08563	0.2
147.04395	100.0
148.04707	1.4
157.88330	0.2
159.23361	0.2
164.07080	1.5
190.08592	0.2
193.12318	0.3
199.34998	0.3
284.12781	14.5
284.29413	0.3
285.13086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01865	2.0
55.05507	8.0
57.03432	6.4
65.03933	1.0
67.05494	13.3
67.51011	0.8
69.03426	3.3
69.07059	3.0
69.41090	3.7
69.41517	3.2
71.04984	2.7
79.05494	12.3
81.03411	100.0
81.07046	11.5
83.04973	5.6
83.08609	20.2
85.02900	6.0
85.06525	0.9
91.04958	1.3
91.05480	13.1
93.07034	6.7
94.14480	0.7
95.04358	1.3
95.04962	23.4
95.08604	4.6
95.09155	0.7
97.02878	2.3
97.06560	1.2
97.10169	1.5
105.07018	12.0
107.04954	4.9
107.08590	2.8
109.06503	2.1
109.10178	0.9
111.04447	1.3
111.08065	9.3
114.16673	0.8
115.05440	1.4
117.06980	0.9
119.08575	11.0
121.06505	1.7
121.10130	5.6
123.08070	1.0
129.07007	7.2
131.08560	8.2
133.06499	2.3
133.10114	4.8
137.09567	1.3
142.07732	1.5
145.00510	0.8
147.08055	3.1
147.11652	8.0
149.09630	4.1
149.35353	0.9
157.10147	9.9
165.12761	1.6
175.11174	10.0
193.12228	40.2
211.13300	7.9
267.15933	9.1
285.12161	1.0
285.16956	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	284.128
Annotation	N-P-Coumaroyltyramine
Peak:m/z	Relative Intensity
53.03937	1.0
55.01867	0.4
55.05499	0.6
55.07503	0.2
56.96552	0.7
57.03439	0.4
59.35220	0.2
65.03947	0.6
67.05490	0.9
69.03429	0.6
69.07057	0.5
69.63695	1.3
70.06590	0.4
72.08146	0.4
77.03929	0.4
79.05486	0.7
81.03419	1.4
81.07037	1.0
83.04974	0.4
84.04470	0.2
84.08109	0.2
85.02891	0.3
86.09716	0.9
91.05476	13.9
92.05808	0.4
93.07039	10.1
94.07346	0.4
95.04967	3.2
95.08607	0.5
97.02860	0.3
103.05461	7.3
105.04510	0.4
105.07021	0.5
107.04974	0.4
107.08578	0.7
108.08109	0.2
110.07163	0.3
111.04439	0.2
111.08092	0.2
111.12875	0.2
116.98595	0.3
119.04937	20.9
119.08537	0.4
120.05256	0.3
120.89988	0.2
121.06497	41.9
122.03218	0.4
122.06852	0.6
122.09726	0.2
123.08060	0.2
129.06989	0.2
130.06459	0.3
131.08548	0.2
135.08058	0.3
135.11688	0.2
138.09094	0.3
147.04399	100.0
148.04730	1.4
150.12762	0.3
151.13567	0.3
164.07027	1.5
181.56068	0.2
190.08707	0.3
193.12247	0.6
201.08028	0.2
209.11697	0.2
210.11977	0.6
211.13344	0.3
239.02217	0.5
240.15918	4.0
242.17596	0.3
257.03238	0.4
277.07352	0.2
284.12793	14.1
284.18228	2.7
284.29446	0.9
285.13126	0.3
295.08447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0986
Annotation	38819-10-2
Peak:m/z	Relative Intensity
55.02995	1.3
55.05490	0.9
57.03437	3.4
61.02917	1.2
67.96461	0.6
68.05016	2.5
69.07053	1.3
70.06582	3.2
71.01347	3.2
71.04988	2.1
71.58173	1.5
72.08142	3.1
73.02898	1.1
81.07052	4.3
82.04068	2.5
84.08148	1.5
85.02892	1.8
95.06087	29.5
96.04500	1.0
97.02866	1.1
97.07642	1.5
98.03539	0.9
107.03561	0.8
109.05119	5.1
110.03516	4.1
110.07143	1.5
113.02343	0.9
119.69733	0.8
121.05129	1.2
122.09624	1.0
124.03935	1.2
124.06182	1.8
125.04575	5.1
125.06966	2.3
126.07768	5.8
127.06150	12.4
128.04558	3.4
133.04965	0.9
133.15475	0.7
135.03023	2.5
135.05415	1.4
135.06601	1.0
136.06178	100.0
137.04576	10.4
138.05499	0.9
138.07741	1.3
139.06224	1.1
145.58894	0.8
150.07759	1.5
151.06114	1.6
151.12297	4.5
152.05664	98.2
152.09206	1.7
153.06367	0.8
153.37714	0.7
154.07225	12.2
155.05630	1.5
164.05661	2.0
164.09273	0.9
166.07187	1.2
167.11823	0.8
178.07249	2.7
179.05675	1.3
180.05124	0.9
182.06786	0.9
193.13319	5.3
194.06744	1.2
196.08299	1.9
204.05505	0.9
220.08351	1.1
224.07716	1.3
225.15970	24.0
239.07870	0.9
248.07753	1.8
252.20619	1.9
256.10406	1.8
266.08688	3.8
267.07220	1.5
284.09891	22.6
284.16330	0.9
284.23300	24.1
284.29514	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	284.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
56.96562	1.0
57.03423	0.4
61.02921	0.4
69.03429	0.5
70.06586	1.9
70.81590	0.4
72.08147	0.2
74.06068	0.2
84.04481	0.4
84.08141	0.9
84.96030	0.2
85.02885	0.5
86.09670	0.3
86.15935	0.2
97.02924	0.2
107.04942	0.2
109.05108	0.5
110.03522	2.1
110.07153	0.5
115.32349	0.2
116.98651	0.2
118.08691	0.2
120.78013	0.2
128.04538	1.7
129.10313	0.2
134.04587	0.3
134.99663	0.3
135.03009	3.1
136.01366	0.2
136.06178	1.9
141.10213	0.3
151.26343	0.2
152.05667	100.0
153.04070	10.4
153.05960	0.4
154.02458	0.3
167.11707	0.3
169.09660	0.3
172.03076	0.2
174.00858	0.2
183.08266	0.2
224.08145	0.3
247.53459	0.2
261.03107	0.3
284.10434	0.2
284.19827	0.3
284.29388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39149	0.2
56.96544	0.6
57.10483	0.3
69.94872	1.7
73.79173	0.3
74.95583	0.3
83.08605	0.3
87.26116	0.2
98.97570	1.4
101.00912	0.7
116.98617	1.7
119.01907	7.2
134.99719	1.4
137.02948	3.5
153.00890	0.6
158.99855	0.5
175.09660	0.3
177.00940	15.6
178.01035	0.7
179.00745	1.1
182.43947	0.3
182.99826	0.3
195.02057	0.7
200.02611	0.4
201.00902	0.8
208.95860	0.6
216.05757	0.3
217.04088	2.2
218.03656	0.8
219.01996	22.9
220.02071	1.3
221.01759	4.1
222.01770	0.4
225.00850	2.1
234.99803	0.3
235.99983	0.5
237.98958	0.3
240.05621	0.6
242.03705	0.5
242.51953	0.3
243.01930	4.6
260.00052	0.7
260.04626	0.8
261.03043	100.0
262.03131	4.5
263.03506	0.4
266.03738	0.5
278.01074	0.6
278.97705	0.3
279.00665	1.2
284.00012	0.6
284.04691	4.4
284.29306	1.0
285.04767	0.3
291.88681	0.3
302.00937	1.9
302.03616	0.6
302.05682	1.1
303.01028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07320	1.8
52.96736	1.8
53.03932	3.0
54.13143	1.8
55.01849	5.6
55.05506	16.0
56.83261	1.8
57.03421	5.8
57.07060	5.0
58.99212	1.9
59.04985	2.7
67.05501	26.0
69.03419	7.4
69.07072	17.0
71.04990	9.6
71.21723	5.1
79.05485	30.3
81.03394	3.4
81.07055	42.8
83.01340	3.1
83.04971	6.3
83.08607	7.3
84.12245	2.0
85.06535	3.5
91.05477	33.6
93.07037	37.4
95.04972	16.4
95.08601	26.8
95.09172	3.3
97.02863	2.4
97.06509	7.4
103.05457	3.6
105.07022	51.1
107.04942	4.7
107.08595	34.2
109.06514	10.7
109.10156	19.8
111.04433	3.3
111.08096	1.9
115.05386	2.3
117.07034	10.0
119.07787	3.1
119.08574	44.2
121.06475	11.1
121.10136	87.5
123.08055	7.9
123.11707	9.3
128.06174	4.5
129.07002	5.6
130.07787	4.2
131.08563	27.0
132.94914	2.0
133.01387	2.0
133.10115	27.1
134.99673	2.5
135.08018	7.9
135.11681	17.8
137.09702	1.9
141.07001	2.5
142.07787	6.2
143.08568	17.6
144.09354	3.7
145.06483	2.4
145.10114	44.1
146.07272	3.0
146.61176	1.9
147.08022	3.7
147.11665	8.9
149.09541	2.8
149.13246	2.6
151.11302	1.9
153.12669	3.5
155.08521	4.3
155.19020	1.9
156.09328	6.3
157.06490	2.1
157.10103	22.1
158.10886	8.1
158.45146	1.9
159.08061	4.4
159.11710	17.0
161.09631	26.0
161.10948	2.8
161.13216	5.7
163.11188	16.2
164.98508	3.8
168.09354	3.6
169.10159	6.5
170.10941	3.5
171.11662	17.0
173.09624	5.3
173.13248	53.0
175.11180	5.3
175.14839	8.1
179.08521	4.3
181.10089	6.5
181.12202	5.7
183.11665	8.4
185.09598	3.4
185.13243	8.3
187.14806	5.8
193.10150	2.5
194.10869	6.2
195.11673	11.3
197.09644	2.4
197.13268	6.1
199.11261	3.3
199.14833	9.2
201.16440	4.8
208.12494	4.7
209.11528	3.1
209.13397	12.2
210.13945	2.4
211.14816	2.3
213.12727	7.6
213.16319	2.4
223.14749	10.6
225.16371	5.2
227.12421	9.8
227.14442	5.9
235.14716	3.1
237.16107	2.5
239.17932	5.2
241.15895	5.2
255.21097	5.5
265.19534	25.4
283.15811	9.4
283.20541	100.0
284.10944	3.0
284.20770	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	283.2053
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03928	2.0
55.01854	6.6
55.05507	10.8
57.03415	5.3
57.07067	3.3
67.05228	1.3
67.05502	17.5
69.03434	7.9
69.07070	13.7
69.32292	10.2
69.32715	6.9
71.04980	11.0
79.05479	21.9
81.03398	2.6
81.07050	29.6
83.01275	1.9
83.04964	12.6
83.08609	6.8
85.06522	1.8
91.05464	19.4
93.07035	33.0
95.04959	12.6
95.08590	22.1
97.06522	7.8
98.21465	2.6
103.05435	3.6
105.07020	50.3
107.04945	2.7
107.08588	27.6
109.06493	8.9
109.09434	2.3
109.10136	19.3
111.04420	7.1
111.08028	3.0
115.05499	3.5
116.98625	2.5
117.07006	12.4
119.08563	37.4
120.08908	2.0
121.06508	8.6
121.10130	100.0
123.08064	7.9
123.11684	8.9
128.06177	4.8
129.07004	5.9
130.07774	3.9
131.08556	26.0
133.10118	25.2
135.08066	9.6
135.11696	15.0
141.06909	2.9
142.07782	4.7
143.08542	17.9
144.09343	3.0
145.06467	2.5
145.10109	40.0
146.07199	2.0
147.08081	2.4
147.11655	7.6
149.09610	3.7
153.12732	10.2
155.08525	5.6
156.09297	4.3
157.10118	17.3
158.10832	7.7
159.08044	2.2
159.11668	12.7
161.09601	24.8
161.13210	4.8
163.11157	15.0
165.06927	2.5
167.08591	2.3
169.10086	6.8
170.10930	3.1
171.08061	1.8
171.11674	13.1
173.09618	6.5
173.13240	40.6
175.11163	4.3
175.14786	6.4
177.12648	1.8
179.08525	4.0
180.09189	1.8
181.10129	4.6
181.12212	5.4
183.11688	5.9
184.50281	1.6
185.09695	3.8
185.13217	9.3
187.11243	2.0
187.13260	1.5
187.14772	9.8
189.12688	3.7
191.10652	2.9
192.09235	1.7
193.10037	3.7
194.10930	3.8
195.11649	7.3
197.13191	6.1
199.11093	3.5
199.14783	7.3
201.16362	2.1
209.13312	9.5
211.14760	2.8
213.12666	5.3
213.16394	4.0
223.14729	7.9
225.16254	3.1
227.12526	10.5
227.14589	3.5
241.15892	2.6
255.21083	6.0
265.19492	20.8
269.12326	1.8
278.00885	1.7
283.06360	2.2
283.15747	11.9
283.20517	85.0
284.20978	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	283.2051
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03933	3.9
55.01854	4.3
55.05500	10.1
55.80943	1.3
57.03428	6.0
57.07061	2.8
59.04982	1.7
65.03926	1.8
67.05502	21.1
69.03413	6.6
69.07066	10.5
71.04983	7.1
77.03904	1.5
79.05489	21.8
79.87541	1.2
81.03424	1.9
81.07052	28.1
83.01326	1.4
83.04980	8.8
83.08606	8.1
91.04948	2.4
91.05466	22.8
93.06461	2.7
93.07028	37.1
95.04963	13.8
95.08598	22.5
97.06517	5.4
103.05434	2.1
105.07018	57.7
107.04932	2.4
107.08584	30.9
109.06506	10.3
109.10135	18.9
110.33529	1.5
111.08072	2.9
116.06197	2.5
117.06989	10.0
119.08571	38.3
121.06513	8.4
121.07223	1.5
121.10129	80.5
123.08069	11.8
123.11693	8.9
125.09550	1.5
128.06184	3.4
129.07005	6.6
130.07761	3.0
131.08553	28.2
133.06558	2.4
133.07573	1.9
133.10109	25.3
135.08063	8.3
135.11693	12.0
137.09570	1.8
141.06987	1.9
142.07756	6.4
143.08553	19.4
144.09338	3.1
145.06483	1.9
145.10107	39.1
146.07269	2.9
147.08034	4.4
147.11653	10.6
149.09590	3.5
149.13306	2.0
153.12738	3.3
155.08557	4.9
156.09319	4.6
157.10123	22.3
158.10919	6.9
159.07985	2.4
159.11674	15.4
161.09590	23.3
161.13231	8.2
162.09984	1.8
163.11172	12.5
163.14842	1.7
165.06862	1.6
166.07852	1.5
167.08566	2.8
169.10069	6.3
170.10956	3.3
171.08026	2.1
171.11661	13.2
173.09651	4.9
173.13235	47.2
175.11165	4.7
175.14822	5.5
177.12720	1.3
179.08539	4.8
180.09290	2.3
181.10114	4.4
181.12218	1.8
183.11673	6.1
185.09601	3.1
185.13249	10.9
187.11206	1.8
187.14780	10.4
189.12642	2.9
191.14374	2.6
193.10062	2.4
194.10902	3.7
195.11728	8.8
197.13187	5.2
199.11177	2.4
199.14772	9.3
201.12741	2.5
201.16393	3.4
207.11600	2.8
208.12598	1.4
209.11687	2.0
209.13297	13.3
211.14848	2.2
213.12761	4.4
213.16347	3.6
223.14729	7.8
225.16370	3.6
227.12431	3.0
227.14328	5.9
237.16455	1.9
239.17807	1.5
255.21062	12.4
265.19528	22.7
283.15393	6.3
283.20529	100.0
284.20938	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	283.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25443	2.4
53.03944	5.0
54.56506	2.0
55.01867	22.2
55.05510	27.8
56.96563	11.0
57.03426	9.1
57.07064	5.3
60.71764	2.4
62.06054	2.4
65.03930	2.9
67.05496	49.6
69.03432	4.6
69.06714	4.5
69.07066	57.9
69.35042	14.9
69.35465	6.4
70.06591	12.1
71.05000	15.7
72.08150	21.3
72.93797	4.1
73.06547	5.1
79.05492	78.0
81.03416	12.5
81.07055	64.3
83.04971	20.2
83.08616	18.0
84.08148	3.8
85.02896	4.0
85.06541	3.5
86.06083	2.6
87.04465	44.3
89.02386	46.2
89.06037	3.5
89.15713	2.5
90.94861	4.0
91.05471	48.4
93.07043	48.7
93.07619	3.3
95.04958	12.0
95.08607	40.4
96.08129	3.0
97.02885	5.4
97.06528	22.0
97.10186	5.4
98.06061	2.5
98.09679	4.5
98.21528	4.8
98.97595	3.5
99.04453	2.4
99.08070	3.9
103.82786	2.2
105.07021	28.3
107.04953	8.2
107.08588	100.0
108.08131	2.7
108.08981	2.8
109.06531	23.0
109.10169	17.3
110.06081	3.0
111.04436	10.7
111.08053	11.3
112.65257	2.9
113.02322	4.8
113.06003	4.7
116.98599	4.3
117.07018	15.7
119.08571	24.6
121.01950	2.2
121.02872	7.1
121.06521	6.5
121.10126	32.9
123.08070	6.6
123.11700	7.3
124.07584	5.3
125.05991	3.8
125.09621	32.6
126.09167	6.1
129.07027	6.7
131.03429	26.2
131.08557	53.6
131.09508	3.5
133.10159	18.7
134.09697	4.3
135.08046	6.8
135.11690	18.3
136.07687	2.3
137.06012	6.8
137.08350	3.0
137.09608	7.0
137.13144	2.7
139.11185	8.3
140.09702	2.3
141.06987	2.5
141.32323	2.2
143.07065	15.1
143.08617	4.5
145.10135	26.7
147.04396	4.9
147.08037	3.1
147.11714	5.0
149.09619	17.6
151.11209	4.1
152.10713	15.2
153.09119	15.1
153.12708	2.9
154.08640	13.8
155.08586	4.8
157.10129	5.1
159.11742	8.1
161.08112	5.0
161.09584	2.5
161.13248	2.7
163.03860	5.0
163.11192	18.2
164.14375	3.3
165.07002	3.6
165.09097	3.4
165.14680	11.3
167.10667	8.1
169.10068	4.6
171.11699	3.7
173.09610	7.3
173.13286	8.8
177.09001	3.4
180.10182	14.4
181.12256	4.9
183.11784	2.9
185.13260	3.8
187.11078	2.6
191.10687	7.9
195.10152	5.7
196.99065	2.3
197.13219	6.2
198.11310	16.8
199.11227	2.6
201.16371	28.1
209.11885	5.0
211.14728	2.6
217.03181	2.4
219.17427	11.0
227.12807	10.2
229.15932	5.3
237.20290	3.2
240.12317	29.0
241.15828	2.4
247.17000	10.7
265.04999	2.8
265.18011	8.1
266.21259	10.3
283.06393	20.6
283.09134	3.9
283.15561	12.3
283.20575	15.3
283.23459	2.8
284.11282	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01868	6.3
55.05505	12.0
55.08303	0.9
57.03428	11.5
65.03926	1.6
67.05499	19.7
69.03402	1.4
69.07060	9.3
70.33216	3.3
71.04991	4.1
72.08146	1.0
73.02902	1.9
76.97932	0.8
79.05484	32.1
81.03416	5.2
81.07047	21.1
83.01319	1.0
83.04968	7.1
83.08615	8.4
84.82087	0.8
85.02888	1.6
91.05460	10.4
93.07036	44.7
95.04964	10.6
95.08595	41.3
97.02879	5.2
97.06510	4.5
98.20799	1.1
99.04456	5.0
102.02126	0.9
103.05466	1.3
105.07018	9.4
107.04942	13.4
107.08583	30.3
109.06497	3.4
109.10124	3.5
111.04446	3.2
113.06009	0.9
115.16557	0.9
117.07008	11.0
119.08577	11.9
120.87719	0.9
121.02853	6.7
121.06506	6.2
121.10129	13.2
125.05967	3.1
129.06996	1.2
130.07768	3.3
131.08560	2.1
133.10126	3.3
135.08029	2.7
135.11678	54.1
136.11963	1.0
139.07561	1.1
142.97812	0.9
143.08510	1.4
145.10110	32.7
145.11266	1.8
149.09515	1.4
153.12801	2.1
163.11162	71.3
164.11502	1.2
173.09605	2.4
181.12212	15.8
191.10576	0.9
199.98466	0.8
209.11708	2.8
227.12755	100.0
228.13051	1.2
241.05234	6.0
251.59378	0.8
283.06146	1.1
283.10336	1.1
283.15363	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19054	2.7
53.03934	5.3
55.01869	16.2
55.05503	31.1
56.96563	14.2
57.03433	22.2
57.07055	8.3
61.02902	2.4
63.10215	2.2
67.05501	30.5
69.03416	7.1
69.07072	21.8
69.51122	20.9
70.95855	2.8
71.04976	11.2
71.71945	2.3
72.08136	4.3
72.93755	3.4
79.05486	50.9
80.05825	2.8
81.03402	23.0
81.07053	42.3
83.04978	27.1
83.08607	13.8
85.02890	7.9
85.06519	4.1
91.05469	22.6
93.07031	59.9
95.04964	13.3
95.08601	50.7
96.08910	4.1
97.02871	11.7
97.06517	16.2
97.10126	3.7
98.97574	7.1
99.04452	5.8
99.43384	2.4
103.05482	3.7
103.12236	2.9
105.07012	13.8
107.04934	25.8
107.08597	37.7
109.06501	6.9
109.10141	10.8
111.04436	13.1
111.08065	6.3
116.98625	6.1
117.07008	15.2
119.04955	3.3
119.08576	18.5
121.02884	13.9
121.03779	2.1
121.06490	11.6
121.10122	18.5
121.26318	2.7
123.08085	4.1
125.05982	4.6
127.03876	2.3
130.07762	3.8
131.08533	8.0
132.06119	3.1
133.10103	5.1
134.99658	3.3
135.08022	4.3
135.11685	57.8
137.13377	3.0
143.08511	3.1
145.10086	37.3
147.04399	10.9
147.08073	4.5
147.11685	3.3
153.12732	19.7
155.08504	3.6
157.10057	4.7
163.04034	2.7
163.11171	75.9
173.09598	7.5
177.62384	2.8
181.12236	24.6
186.12804	3.0
186.62872	9.4
191.10649	11.3
192.62904	4.2
195.07944	3.4
201.63379	12.4
209.11682	6.9
209.13477	2.9
222.13676	2.8
225.16736	2.8
227.10510	6.3
227.12749	100.0
258.65002	18.1
264.65030	2.6
265.05093	2.9
266.12598	3.7
269.12314	2.7
282.65994	5.2
283.06186	18.5
283.09506	9.9
283.15320	63.0
283.20639	7.7
301.07303	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	283.1539
Annotation	[1S-[1alpha(E),5beta,6beta]]-5-hydroxy-3-(hydroxymethyl)-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester
Peak:m/z	Relative Intensity
50.88481	0.3
51.02383	0.6
53.03938	1.6
55.01861	2.1
55.05506	22.7
56.96563	2.5
57.03428	2.7
57.07072	0.8
65.03928	1.1
67.05497	15.2
69.03413	1.6
69.07063	4.1
70.06587	3.6
71.04989	1.5
71.06879	0.6
71.61075	0.6
72.08155	3.8
72.93780	0.7
79.05488	7.8
80.48681	0.4
81.03401	3.2
81.07047	12.6
81.07520	0.9
82.07427	0.4
83.04972	100.0
83.08615	2.0
84.05307	0.8
84.08151	0.7
85.02905	1.7
85.06541	0.8
86.09679	0.5
89.06018	0.5
89.55450	0.4
91.05452	4.4
91.07539	0.4
93.07032	10.5
95.04954	4.6
95.08598	10.1
97.02863	1.3
97.06516	2.7
97.10127	0.5
98.97596	0.7
99.04456	1.7
99.08065	0.9
101.06011	1.1
105.07018	2.6
107.04934	2.7
107.08585	7.5
108.95876	0.5
109.02865	1.2
109.06509	1.7
109.10141	22.0
109.96951	0.4
110.07081	0.5
110.10503	0.4
111.04436	2.0
111.08095	1.4
113.05976	0.5
117.07035	1.9
119.08551	4.1
121.02853	11.1
121.06497	1.5
121.10136	6.0
123.08031	0.6
123.11661	0.5
125.06004	1.1
125.09637	0.4
127.03917	0.6
127.07629	0.6
128.06274	0.5
129.06992	0.6
131.08559	1.8
133.10104	0.7
135.08032	1.2
135.11668	7.2
137.09599	32.4
138.09985	0.7
139.03874	1.1
140.13081	0.5
143.08603	0.5
145.06488	0.7
145.10095	5.5
147.04370	0.5
147.11641	0.8
149.09615	1.7
153.12686	1.1
155.08534	0.7
155.10617	2.1
157.10065	0.4
159.11719	0.4
162.22430	0.4
163.11169	10.8
165.09094	21.2
167.10701	0.8
169.10085	0.6
173.09619	1.3
173.13278	0.4
181.12183	2.0
183.10162	1.5
187.00539	0.4
190.96269	0.4
191.10631	1.4
195.11812	0.5
201.11237	1.4
209.11658	1.0
223.07925	0.5
225.01866	0.5
227.10538	0.9
227.12746	13.0
228.13142	0.5
239.09521	0.5
245.95767	0.4
251.12567	0.4
255.11336	0.5
257.10547	0.7
258.10696	0.4
261.04184	3.5
265.07080	1.0
266.21109	0.4
283.10031	1.6
283.15396	24.5
283.20584	2.2
284.15811	0.7
301.09622	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	283.1536
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03927	6.9
55.01623	3.6
55.01868	40.8
55.05504	61.8
57.03432	63.9
57.07067	5.9
59.04988	8.6
62.87549	3.1
67.05500	47.5
69.07050	22.1
71.01329	4.5
71.04985	11.5
71.52213	4.6
79.05489	68.7
79.05949	4.2
81.03409	27.5
81.07047	56.2
83.01343	30.7
83.04981	40.5
83.08615	38.6
84.62313	3.4
85.02893	10.4
89.06006	6.0
89.26070	3.4
91.05467	41.4
93.07035	78.3
95.04958	21.5
95.08601	38.9
97.02887	7.4
97.06512	16.3
97.10157	6.4
99.04447	10.5
105.07029	26.7
107.04947	25.5
107.08585	40.9
108.32159	2.8
109.06502	21.6
109.10152	6.4
111.04441	10.7
111.08105	7.1
117.07020	23.4
119.08556	22.6
121.06496	12.7
121.10136	23.9
123.08064	25.0
125.05972	4.3
129.07002	6.2
130.07788	5.4
131.08554	11.5
133.10129	7.1
135.08051	7.9
135.11678	55.9
137.09593	4.3
139.07472	4.5
145.10118	56.5
147.08034	6.5
149.09622	5.3
153.12746	11.6
155.08591	3.8
163.11162	100.0
173.09618	15.1
181.12201	24.8
191.10623	9.2
201.51959	3.4
209.11749	17.1
227.12737	51.7
255.15846	3.3
283.15356	89.3
283.20218	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01868	6.5
55.05507	16.6
57.03185	1.4
57.03437	16.6
57.07066	2.8
57.27311	0.9
60.38894	0.8
62.70198	0.9
65.03943	1.9
67.05503	25.9
69.03424	2.1
69.07063	12.0
70.21208	4.5
71.04977	4.2
71.08634	1.7
71.71239	0.9
73.02911	1.9
79.05489	37.1
79.05956	1.9
81.03410	5.3
81.07051	26.8
83.04980	7.6
83.08630	12.3
85.02907	1.5
85.06530	1.2
89.06035	1.1
91.05476	14.8
93.07039	54.0
95.04964	12.1
95.08602	46.4
97.02879	5.3
97.06524	5.6
97.10162	2.4
99.04453	5.3
103.05447	1.1
105.07020	11.6
107.04945	11.9
107.07858	1.7
107.08588	35.9
109.06521	2.7
109.10140	3.9
111.04411	5.0
111.08070	2.3
113.06015	1.9
113.09628	1.3
117.07017	12.3
119.08577	12.1
121.06492	8.3
121.10145	16.4
123.08102	1.1
125.05970	4.9
129.06924	1.1
130.07774	3.6
131.08565	3.1
133.10133	4.7
135.08031	3.4
135.11688	60.7
139.07587	1.3
142.07747	1.1
143.08582	2.1
145.10115	36.7
149.09613	1.5
153.12750	2.9
155.08438	1.0
163.11172	75.0
172.95332	1.1
173.09634	3.2
181.12224	19.5
190.96364	2.1
191.10645	1.8
194.10959	1.2
209.11603	4.8
227.12764	100.0
228.13161	2.0
246.98824	1.1
283.06274	2.0
283.15341	28.0
283.20541	3.1
303.01257	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01870	6.5
55.05505	16.3
57.03436	15.1
57.07063	2.5
67.05501	24.0
69.03422	3.4
69.07064	11.7
70.03031	6.4
71.04996	3.6
73.02930	2.3
79.05491	36.4
81.03403	3.7
81.07059	26.3
83.04987	6.2
83.08598	7.5
91.05478	13.6
93.07041	46.3
95.04951	9.2
95.08604	45.4
97.02857	5.9
97.06543	5.7
97.10165	1.7
98.21453	2.5
99.04456	6.1
105.07026	12.3
107.04943	11.5
107.08596	30.7
109.06496	2.6
109.10159	3.9
109.31741	1.2
111.04417	2.3
113.05990	1.6
117.07009	10.8
119.08558	12.3
121.06524	7.8
121.10130	16.5
125.05971	4.4
130.07779	3.9
130.37939	1.2
133.10132	5.6
135.08099	3.0
135.11685	53.4
136.05240	1.3
136.12074	1.5
139.07550	2.9
145.10110	34.8
153.12741	2.6
163.11179	71.8
164.11597	1.2
173.09552	1.7
181.12212	16.8
209.11690	2.5
227.12772	100.0
283.15353	22.2
283.20590	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	283.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03355	0.6
55.01870	1.8
55.05518	3.5
57.03435	4.1
67.05502	7.8
69.03419	1.0
69.07063	3.1
69.34537	6.5
71.04987	1.2
73.02940	0.8
79.05494	8.6
81.03400	1.9
81.07055	7.0
83.01371	0.9
83.04971	2.4
83.08610	3.1
86.54606	0.7
91.05476	3.2
93.07046	11.0
95.04952	2.5
95.08605	11.2
97.02894	2.3
97.06499	2.1
98.30602	0.6
99.04459	1.1
105.07015	3.4
107.04948	3.8
107.08588	7.1
109.06480	1.1
109.10158	1.7
111.04407	1.3
111.08073	0.8
117.07024	2.9
119.08612	3.5
121.06494	1.8
121.10168	4.0
123.08066	1.1
125.05984	0.9
129.06995	1.3
130.07751	0.9
131.08533	0.7
135.08049	1.1
135.11688	12.2
145.06493	0.9
145.10118	7.6
153.12718	2.1
155.08685	0.8
163.11172	16.9
181.12224	5.0
187.08093	1.2
191.10635	1.2
209.11688	1.2
227.12790	23.9
233.11525	5.0
251.11290	1.6
265.14166	1.2
269.12338	9.8
270.12646	0.7
283.06244	2.7
283.15182	100.0
284.15540	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	283.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
53.40615	0.7
55.01861	2.0
55.05497	1.8
55.68671	0.6
56.05030	0.9
56.96567	1.8
57.03417	1.6
57.07051	0.8
65.03931	3.0
67.05501	4.7
69.03433	4.9
69.07056	1.2
70.06596	3.5
71.04993	0.7
71.59345	1.1
72.08129	1.8
79.05493	1.0
81.03412	9.3
81.07042	2.2
83.05019	1.0
83.08606	0.8
84.04525	0.9
84.08123	1.7
85.02908	5.4
86.09686	1.5
89.06020	1.4
91.05454	1.4
93.07027	1.0
95.04980	6.2
95.08586	1.3
97.02879	1.4
99.04440	1.8
105.06989	1.0
107.08611	1.0
109.02881	4.2
109.10149	3.0
110.07180	1.4
111.04424	3.9
119.08627	0.9
120.08102	1.3
121.02862	100.0
122.03173	1.2
127.03934	2.1
133.10175	0.8
134.99603	0.8
136.07533	1.0
139.03897	7.1
140.07060	0.8
265.06989	5.2
265.11075	0.7
283.08340	1.4
283.11203	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	282.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
56.96551	0.4
57.03418	0.5
57.07073	0.3
59.05006	1.4
61.02921	1.8
65.03963	0.2
67.05477	0.3
69.03423	0.4
69.62068	0.5
69.62479	0.9
70.06579	0.7
71.04990	3.2
72.08167	0.4
79.05476	1.3
81.03403	0.2
81.07055	5.9
83.04960	0.2
84.08151	0.3
86.09691	0.3
87.08113	0.4
87.92515	0.2
91.05456	0.5
93.07019	0.4
93.77520	0.2
95.04924	0.2
96.23788	0.2
97.06506	0.3
99.08105	0.4
105.07024	0.5
107.05029	0.2
108.08113	0.2
109.05119	0.8
110.03520	2.8
113.09682	0.9
116.98599	0.2
119.04891	0.3
120.08095	0.8
121.02872	0.6
121.10186	0.2
123.08020	0.2
128.04556	2.4
129.10332	0.2
133.10136	0.2
134.04590	0.4
135.03021	3.7
152.05672	100.0
153.04073	13.6
153.06046	0.8
154.02444	0.3
166.07242	2.4
167.05595	0.3
174.12781	1.1
177.00426	0.2
220.13322	1.4
232.11893	0.7
250.13008	2.4
281.27032	0.2
282.15588	22.8
283.15710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01870	1.0
55.05505	2.5
56.05021	0.8
56.96555	0.5
57.03424	1.5
62.49902	0.4
65.03942	0.4
67.05505	2.8
69.03410	1.4
69.07045	1.7
70.06587	1.9
71.04986	0.7
71.60623	0.6
72.08134	1.0
72.29350	0.4
76.84628	0.4
79.05492	2.9
80.05010	2.3
81.03412	2.1
81.07050	4.2
81.99465	0.4
82.06559	0.8
82.73188	0.4
83.04975	3.3
83.08585	1.0
83.17191	0.4
84.04489	0.7
84.08129	1.3
85.02888	1.4
86.06055	1.2
86.09698	0.9
87.04459	17.0
88.04839	0.5
91.05472	2.3
93.07033	5.4
95.04945	1.7
95.08605	2.7
96.08122	0.8
97.02863	1.2
97.06500	1.2
98.06036	1.7
101.06042	0.4
105.07007	1.3
107.04938	1.0
107.08573	3.1
108.08118	2.1
109.08878	0.6
109.10133	1.9
110.09653	1.9
111.04424	1.2
117.06986	0.9
117.77982	0.4
119.08591	0.8
120.04432	0.5
120.08099	2.1
121.02876	4.2
121.06468	0.5
121.10127	1.6
122.09647	2.1
123.10446	0.8
123.11711	0.6
124.11167	0.8
129.05479	0.5
131.08568	0.7
133.10120	0.9
133.56487	0.4
134.09624	0.7
135.11687	3.9
136.07578	1.2
136.11180	1.3
137.09590	1.4
139.24866	0.4
145.06447	0.5
145.10138	0.8
146.02272	0.4
150.12764	2.7
151.13528	0.8
152.13142	0.8
152.14323	14.4
153.14655	0.5
161.05956	1.1
163.11142	1.9
165.09059	0.9
166.07251	1.1
166.08618	3.4
177.05443	0.6
178.12163	0.6
180.10176	1.2
181.12216	0.9
184.09694	1.1
184.13336	1.3
191.10640	0.6
194.11734	3.2
195.12653	0.4
196.13289	2.2
200.10667	1.3
205.04930	4.4
206.05347	0.4
208.13297	3.8
209.11696	3.9
209.14027	1.5
210.14894	0.7
222.07722	1.0
222.14758	0.5
223.06018	0.7
227.12778	0.8
238.17990	100.0
239.18335	3.0
240.19511	0.8
264.12277	0.9
264.19366	0.4
265.06961	0.6
282.20599	72.2
283.10400	0.9
283.15479	2.5
283.20929	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	282.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.7
55.93525	9.2
56.96563	31.5
61.31109	9.9
67.17402	9.2
69.03426	26.2
70.06574	50.7
71.04983	11.4
71.58924	17.4
72.08150	43.1
72.93781	11.3
73.02920	14.9
74.06051	10.3
79.05486	9.8
81.03425	13.4
81.07024	14.0
84.08140	33.1
84.30452	9.3
85.02917	71.8
85.06550	18.2
85.08504	8.7
86.09702	14.5
87.05604	8.8
91.05473	33.0
92.05811	19.1
97.02898	29.9
98.97569	10.9
102.05520	12.6
105.01942	10.3
110.07200	10.7
116.98617	13.0
119.04917	15.8
120.08083	13.1
121.02899	21.8
127.03986	16.0
133.05083	15.2
134.09651	14.4
134.99583	12.3
136.06203	30.6
136.07567	66.7
137.07947	61.3
145.04955	29.0
150.07745	100.0
151.05913	13.9
163.06062	11.3
193.03258	10.5
195.11250	24.6
222.06326	15.8
264.05984	12.7
282.14413	14.7
282.19318	14.1
282.22061	18.4
291.15100	10.7
300.06104	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	282.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
55.03004	0.2
55.05500	0.8
56.05026	0.2
56.05841	0.2
56.96561	0.3
57.03437	0.3
57.07051	0.2
59.05014	0.5
61.02937	0.6
65.03933	0.1
67.05509	0.5
69.03431	0.4
69.07079	0.2
69.43303	0.8
69.43733	0.6
70.06593	0.8
71.04988	8.6
72.08158	0.5
79.05500	0.7
81.03416	0.3
81.07054	3.0
83.04972	0.2
83.08614	0.2
84.04516	0.4
84.08141	0.6
85.02903	0.4
85.06533	0.3
86.09714	0.4
91.05469	0.5
93.07043	0.3
95.04972	0.3
97.02851	0.3
98.21484	0.3
98.97561	0.2
99.08117	0.2
103.05479	0.2
104.01259	0.2
107.04967	0.3
107.08578	0.2
108.08134	0.2
109.02940	0.3
109.05139	0.8
110.03518	3.2
110.07110	0.1
113.09644	3.7
118.01233	0.3
119.04897	0.2
119.08554	0.2
120.08085	1.4
121.02876	1.1
128.04543	3.3
129.10234	0.2
131.08514	0.2
134.04594	0.3
134.09630	0.5
135.02998	1.5
136.07533	0.4
138.05528	0.2
147.04385	0.3
147.09135	0.3
148.09483	0.4
152.05664	100.0
153.04065	11.6
153.05115	0.2
153.06027	0.6
154.02448	0.3
164.01663	0.2
166.07182	0.2
167.05670	0.3
232.11829	0.7
245.86615	0.2
250.12885	0.7
265.10699	0.2
282.15509	7.5
282.27863	0.2
283.11475	0.3
283.15485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1488
Annotation	Bharatamine
Peak:m/z	Relative Intensity
52.42332	0.2
53.03941	0.6
55.01862	0.6
55.05502	1.5
55.93516	0.8
56.96368	0.2
56.96565	2.4
57.03434	0.5
57.07080	0.3
59.33581	0.3
65.55981	0.3
67.05496	1.7
69.03407	0.9
69.07063	2.2
70.06586	0.7
71.04988	0.5
72.08136	0.4
72.25920	0.2
72.93778	1.2
73.02888	0.2
77.03930	0.4
79.05486	29.0
81.03423	1.5
81.07047	3.1
83.04955	0.6
83.08623	0.6
85.02905	0.5
86.06062	0.6
87.04449	0.7
90.94830	0.7
91.05483	3.0
92.93288	0.3
93.07043	3.5
95.04955	1.9
95.08599	2.3
97.02898	0.4
97.06526	0.6
98.09684	0.3
98.97588	1.4
103.05459	68.1
104.05777	0.6
104.07104	1.1
105.04560	0.4
105.07018	4.2
107.04945	32.7
107.08575	4.0
108.05266	0.3
109.06526	0.3
109.10152	1.3
110.09641	0.3
115.05438	0.5
116.98594	1.5
117.06986	1.0
118.06534	2.9
119.04913	0.9
119.06579	0.3
119.07340	3.5
119.08575	1.2
121.02864	1.0
121.06495	1.7
121.10138	0.7
123.08045	0.4
123.11642	0.3
125.37917	0.3
127.03987	0.3
128.98558	0.3
131.04915	25.0
132.05205	0.3
133.10091	0.7
134.09641	58.0
134.99629	1.1
135.09987	0.6
135.11671	0.6
137.09676	0.3
142.97946	0.4
146.97392	0.3
147.04396	2.9
148.98883	0.3
149.05975	2.3
149.13232	2.6
151.14862	0.6
153.12744	0.4
161.01204	0.3
161.13240	0.7
163.11169	1.1
177.00662	0.8
177.12215	0.8
179.14250	0.7
184.13362	1.4
186.12709	0.7
189.00600	0.4
191.08490	0.4
201.02156	0.3
201.13164	0.9
203.63190	0.3
207.08113	0.4
218.07298	0.3
219.08038	0.5
221.09665	0.4
227.12718	1.1
234.10437	1.9
235.07486	2.0
236.07944	0.4
249.02733	0.3
250.09900	2.8
257.03210	0.3
257.64362	0.3
258.14792	1.2
264.14777	0.8
265.05219	0.9
265.12219	6.8
273.15305	1.6
273.65506	0.4
282.14856	100.0
283.06262	5.0
283.09323	0.3
283.15259	3.2
301.07101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.68863	1.7
53.03941	11.4
55.01871	6.1
55.05505	39.5
56.96561	6.7
57.03433	30.4
57.07071	4.5
59.04994	2.3
65.03931	3.8
67.05498	91.2
69.03409	4.7
69.07064	22.6
71.04983	6.1
73.06544	4.0
79.05486	100.0
81.03407	18.5
81.07053	74.4
83.04973	38.7
83.08614	13.0
85.02906	2.8
85.06533	4.0
91.05472	71.9
93.07037	85.9
95.04960	32.2
95.08598	45.8
97.02883	6.8
97.06517	8.8
97.10168	8.4
98.21615	3.3
98.97591	5.7
99.08047	2.1
105.07023	56.2
106.07369	2.1
107.04956	13.1
107.08588	27.6
109.06498	12.9
109.10165	12.5
111.08120	2.8
116.98635	5.5
117.07024	11.0
119.04952	5.9
119.08572	34.9
121.06539	3.6
121.10133	8.3
123.08085	11.7
123.11690	2.6
125.09595	2.1
127.07542	2.0
128.06189	4.6
129.06995	18.2
131.08617	5.0
133.10126	18.0
134.99667	2.5
135.11671	4.6
143.08539	12.8
145.10118	13.0
147.08047	5.1
147.11684	41.9
151.11310	2.0
156.09325	2.7
161.09628	8.2
161.13226	20.1
163.11237	2.6
171.11676	32.8
189.12776	9.0
207.13817	12.0
239.04630	2.5
263.16486	4.1
281.08719	2.2
281.11679	2.5
281.17429	40.1
281.22168	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	282.1195
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
52.85604	0.5
54.73966	0.5
55.54024	0.5
56.05059	0.6
56.96558	1.1
57.03425	0.9
57.29366	0.5
69.03419	1.8
70.00907	3.0
70.06577	3.8
72.08126	0.9
73.02064	0.5
82.41831	0.5
83.70029	0.5
84.04491	0.7
84.08141	1.4
85.02883	1.4
85.49834	0.6
85.93969	0.5
86.09665	0.6
87.04448	0.6
97.02847	0.7
98.06065	1.1
98.20831	0.6
101.06017	0.8
102.12533	0.5
115.03902	0.6
116.98601	0.9
119.03560	1.1
121.02865	1.5
123.07945	2.9
124.08295	2.1
134.09564	0.7
134.99606	0.8
136.06172	100.0
137.04608	1.2
137.06572	0.9
168.75117	0.7
175.35651	0.6
195.11270	0.9
233.94437	0.6
238.16541	0.5
247.19621	0.6
248.14125	0.7
250.73164	0.5
260.09747	0.6
282.11868	3.8
282.19330	1.1
282.22131	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.60444	1.2
51.02388	1.4
53.03944	9.3
55.01877	7.5
55.05505	36.6
56.96566	2.6
57.03181	2.5
57.03436	28.1
57.03720	0.9
57.07055	1.8
59.04985	1.3
61.27926	1.2
62.02141	1.2
65.03928	5.9
67.05499	87.2
69.03420	2.7
69.07066	20.3
70.41246	4.6
71.04986	3.8
72.08164	9.7
73.06556	3.0
79.05486	100.0
80.05023	1.5
80.05816	1.3
81.03408	18.9
81.07051	68.9
83.04975	41.7
83.08616	9.9
85.02907	2.0
85.06539	5.1
91.05473	74.0
93.07036	75.5
95.04959	37.4
95.08602	46.3
97.02864	3.0
97.06506	7.5
97.10165	5.8
98.20889	1.7
98.97566	2.3
99.04401	1.4
99.08083	2.7
101.06039	2.1
103.05443	2.2
105.04486	2.0
105.07024	53.8
107.04933	8.8
107.08585	26.1
109.06513	10.5
109.10126	9.3
111.08089	1.9
113.09676	1.8
116.39094	1.1
117.07015	10.6
119.08575	29.5
121.06479	2.9
121.10138	4.9
123.08047	7.4
123.11694	2.7
127.07567	1.8
128.06215	4.4
129.07002	18.5
130.06505	1.7
130.07838	1.5
131.08572	3.6
133.06471	2.0
133.10138	16.5
135.08038	1.7
135.11664	4.8
141.07010	1.4
143.08562	11.0
145.10086	11.7
147.08028	4.0
147.11674	41.7
156.09244	1.7
161.09639	4.5
161.13242	15.4
165.09091	1.8
171.11665	29.1
175.11137	1.6
189.12695	9.0
190.07974	1.6
191.12088	2.0
192.13759	1.7
207.13768	10.8
264.19608	3.7
281.07806	1.6
281.14639	2.4
281.17438	30.3
281.22287	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	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03938	9.2
55.01856	6.1
55.05259	2.5
55.05509	29.8
57.03431	25.6
57.07053	1.9
65.03930	2.9
67.05499	80.1
69.07063	13.4
69.28327	12.3
69.28761	7.5
71.04981	4.1
72.59063	1.8
73.06560	2.1
77.03913	1.8
79.05486	100.0
81.03409	14.6
81.06569	3.6
81.07049	60.6
81.07517	3.6
83.04976	37.0
83.08624	9.4
85.06514	4.2
91.05471	72.0
93.07034	60.5
95.04962	34.1
95.08597	34.8
97.06544	7.2
97.10178	5.2
102.19805	1.8
103.05437	2.1
104.69718	1.8
105.04482	2.8
105.07020	44.4
107.04949	7.7
107.08589	23.8
109.06518	7.5
109.10146	6.4
111.08038	2.3
117.07000	10.1
117.92529	1.9
119.08576	27.6
121.06520	2.8
121.10118	5.3
123.08051	6.5
128.06264	2.8
129.06979	17.6
131.08511	2.9
133.10123	13.0
134.00861	2.0
135.11696	2.4
143.08546	10.8
145.10069	11.2
147.07985	4.1
147.11671	33.2
152.73274	2.0
156.09177	2.3
159.11693	1.9
161.09627	5.8
161.13245	16.0
169.10391	1.9
171.11659	33.0
189.12704	10.5
200.00356	1.9
201.81505	1.8
207.13792	10.4
269.38364	2.1
281.17416	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.5
55.01854	5.5
55.05257	2.7
55.05508	35.8
56.96552	4.5
57.03436	28.5
57.07060	2.2
65.03939	8.4
67.05502	83.5
67.97051	1.8
68.72040	1.8
69.03422	3.8
69.07066	22.4
70.06586	2.6
71.04973	4.6
79.05489	100.0
81.03406	16.6
81.07053	67.5
83.04980	41.6
83.08608	8.3
85.06531	4.9
91.05477	76.5
93.07042	74.9
95.04968	34.8
95.08605	48.1
97.02853	2.5
97.06522	7.3
97.10163	5.5
98.20683	3.2
98.97578	5.1
101.42530	1.8
105.07025	59.8
107.04977	9.5
107.08594	27.1
109.02859	1.8
109.06527	11.4
109.10151	8.6
111.08102	3.9
116.98605	3.7
117.06995	14.3
119.08575	41.2
121.06493	5.2
121.10126	8.5
123.08076	9.5
127.07513	3.5
128.06218	2.8
129.07008	20.6
131.08559	6.1
133.10130	15.8
134.99641	5.2
135.11699	4.0
138.06143	2.0
142.07794	2.1
143.08545	9.8
145.10143	13.9
147.08040	7.3
147.11687	42.7
159.11569	2.4
161.09637	7.4
161.13260	13.5
163.11217	1.8
165.09138	2.7
169.10114	2.5
171.11699	30.5
172.28831	1.8
180.79684	2.1
189.12737	10.3
207.11983	2.9
207.13695	12.3
212.81842	1.8
230.01796	2.0
255.84100	1.8
277.00861	2.7
281.05502	2.0
281.17209	30.8
291.72064	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.99087	1.1
52.49432	1.3
53.03951	10.1
53.20504	1.2
55.01855	4.6
55.05509	35.9
56.91629	1.2
56.96554	2.0
57.03184	1.9
57.03435	27.5
57.07064	1.4
65.03920	4.9
67.05502	88.5
69.03407	2.4
69.07065	17.7
71.04967	4.3
73.06538	2.2
77.03915	1.6
79.05489	100.0
81.03418	14.9
81.07050	66.5
82.07349	1.8
83.04977	35.4
83.08611	9.3
85.02856	1.4
85.06518	3.1
91.05476	71.5
93.07039	69.1
93.07574	1.5
95.04964	29.5
95.08601	40.9
97.02899	1.9
97.06503	7.6
97.10150	4.8
98.97531	1.4
99.08061	2.2
103.05460	3.1
105.04487	2.8
105.07026	50.9
107.04940	9.1
107.08594	22.5
109.06512	9.0
109.10150	9.4
111.08054	2.4
115.05404	1.9
116.98620	2.7
117.07002	9.7
119.08569	32.5
121.06477	5.5
121.10121	4.7
123.08067	9.5
123.11667	1.4
128.06206	4.5
129.06999	20.4
131.08540	3.6
133.06474	3.0
133.10143	15.6
134.99684	1.4
135.11673	3.1
137.09483	1.5
139.16701	1.5
141.95808	1.3
142.07828	1.2
143.08539	8.9
145.10117	11.9
147.08061	3.5
147.11678	38.8
159.11647	2.0
161.09612	3.7
161.13258	17.4
165.09166	2.0
171.11671	28.5
189.12717	8.6
207.13789	11.5
229.24098	1.1
242.49760	1.2
269.39001	1.4
281.14023	2.3
281.17407	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	281.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.1
56.05024	0.8
56.96547	0.2
57.03434	0.2
65.63229	0.1
67.02982	0.2
67.05501	0.1
69.77615	0.3
69.78019	0.2
70.06590	0.6
72.08146	0.3
74.06072	2.0
75.51659	0.1
79.05491	0.1
81.07056	0.1
83.04982	0.1
84.04517	0.2
84.08119	0.6
85.02873	0.2
86.09702	0.4
91.05484	0.3
92.02454	0.2
93.07014	0.1
94.04015	0.3
95.04964	0.2
102.05531	1.0
103.50203	0.1
109.05126	0.1
109.10116	0.1
110.07155	0.1
119.03540	4.8
119.08559	0.3
120.06569	5.7
120.08079	0.6
129.10274	0.1
134.99660	0.1
135.15657	0.1
136.06171	100.0
137.04570	4.0
137.06580	0.7
152.05580	0.1
162.04091	53.1
163.04387	0.4
189.00975	0.1
210.90175	0.1
220.87503	0.1
241.74748	0.1
263.08939	0.1
281.09906	8.1
299.06119	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	281.1131
Annotation	Asp-Phe
Peak:m/z	Relative Intensity
51.76538	0.8
53.03938	0.8
55.01839	0.7
56.96548	2.6
60.04522	0.9
60.22145	0.7
65.03176	0.8
65.13401	0.7
66.15378	0.8
69.03403	1.1
69.07063	1.2
70.02948	7.9
70.06589	4.3
70.82412	1.5
70.82787	1.5
70.95845	0.7
72.08141	2.9
74.02423	3.1
79.05488	1.9
81.07031	1.4
83.04961	0.8
84.04494	1.7
84.08137	5.4
85.02885	1.7
86.09693	1.7
86.78371	0.8
88.03984	22.2
88.04531	1.1
91.05466	11.2
93.07024	1.0
93.28247	0.8
95.04941	1.3
95.06031	0.8
95.08597	1.3
97.02879	1.6
98.97578	2.0
99.75258	0.8
103.05464	8.6
105.07006	1.6
107.04939	2.4
109.02850	1.0
109.10077	0.7
116.13744	0.8
116.98604	1.9
118.04906	1.0
119.08595	0.8
119.56441	0.8
120.08093	100.0
121.08414	1.8
129.06998	1.4
129.10255	1.5
130.06532	6.0
130.28752	0.8
131.04926	4.4
134.99684	2.2
136.06161	7.6
136.07126	1.0
136.07494	0.8
144.08073	2.2
145.06500	1.2
146.05972	1.4
149.05971	2.1
157.06537	1.0
162.04132	4.9
166.08621	32.6
172.07565	3.2
175.08643	9.7
182.06007	2.8
189.10199	0.9
190.08569	1.0
200.07051	12.7
217.09706	2.3
218.08060	1.4
221.09245	6.8
228.06635	1.1
235.10728	18.7
239.04344	1.0
245.09128	1.0
246.07576	7.6
263.07315	0.8
263.10294	2.0
281.11172	5.7
281.14694	1.4
299.06076	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	280.1291
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
56.05019	4.3
56.96552	5.7
57.07064	2.7
64.30629	2.4
67.05502	2.6
70.02944	15.6
70.06586	13.1
70.53168	7.6
72.08141	5.8
72.93747	2.7
79.05481	4.2
82.33296	2.1
84.04467	2.7
84.08147	13.5
85.02863	3.7
86.09701	5.4
87.05585	60.2
88.03969	4.3
90.94794	3.5
91.05476	91.0
98.02334	2.9
98.20750	2.4
98.97592	2.9
103.05453	34.6
107.04943	7.5
116.98557	3.2
119.04967	3.2
120.08099	89.5
120.47129	2.1
123.07922	8.8
129.07013	5.6
129.10246	6.0
130.06512	17.9
131.04953	16.7
132.26807	2.5
133.07660	2.7
134.99553	3.2
144.08098	6.3
146.97229	2.2
147.04396	3.5
147.09149	6.1
149.02332	9.3
149.05957	5.8
150.02676	6.8
154.06482	5.9
157.06467	9.9
161.01212	2.4
165.04802	6.9
166.08618	34.2
172.07544	21.7
175.07137	3.9
175.08656	66.7
177.00462	2.4
182.06012	22.4
193.04305	31.5
200.05197	5.2
200.07054	100.0
203.08136	3.4
217.09737	7.7
221.07103	3.8
221.09212	53.0
228.06514	5.5
234.12396	13.0
245.09241	11.6
246.07611	72.5
263.10263	20.8
272.00183	2.3
272.12418	2.4
280.12769	3.0
280.15527	2.9
281.10806	8.2
298.08804	2.1
299.06189	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	280.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12580	1.2
55.05507	1.9
55.93522	2.4
56.05032	1.6
56.94289	1.8
56.96560	5.2
57.07029	1.5
57.97739	1.2
60.04493	2.1
61.01095	1.3
61.02891	1.6
65.15806	1.2
69.07051	2.0
70.06596	9.8
70.95856	1.8
71.59244	1.7
72.08152	5.6
72.93781	5.5
74.02434	5.4
74.06096	2.3
81.03426	2.3
84.04501	3.0
84.08138	13.7
85.02901	2.3
85.08472	1.7
86.09718	6.4
88.03982	1.5
90.94842	1.9
91.05457	10.3
93.07038	3.5
95.04978	1.3
95.06083	1.6
95.08624	1.4
97.02901	1.5
98.97591	2.6
103.05450	13.0
104.72261	1.3
108.95818	2.2
110.07175	3.2
116.98650	1.4
118.06544	2.7
119.04963	1.9
120.08099	100.0
128.98544	1.5
129.10271	3.8
130.06537	5.3
131.04919	1.8
131.07333	1.6
132.08041	1.4
132.95815	2.6
134.99686	4.2
136.07562	2.9
144.08081	1.5
146.99664	2.3
147.04399	2.8
149.02335	5.0
150.02689	5.1
150.96890	13.8
157.07608	4.0
164.99965	2.8
166.97929	1.5
176.01584	16.2
176.98901	1.4
190.03142	2.8
192.01137	2.3
192.99438	1.5
193.04282	3.1
195.03435	1.7
205.09610	1.4
210.99261	1.3
211.35677	1.2
216.11334	3.1
219.01012	2.0
220.00758	1.7
227.10666	1.2
233.98521	1.5
234.02116	15.3
234.12221	2.4
235.00545	3.9
235.17975	1.6
238.01608	13.7
238.03781	2.2
249.03209	2.2
256.04584	1.8
262.01599	3.4
262.11884	3.0
266.92957	1.3
268.90137	1.4
280.02628	21.1
280.05295	2.0
280.12793	4.9
280.15494	7.5
280.20233	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03934	0.9
53.16759	0.6
55.01853	0.5
55.05508	8.0
57.07077	2.1
65.03940	2.8
67.05501	100.0
68.05840	1.5
69.07067	7.7
69.51980	4.1
71.05025	0.6
74.70617	0.5
79.05486	12.7
81.07051	93.9
82.07375	1.2
83.04962	0.8
83.08616	3.7
85.06501	0.7
91.05486	2.7
93.07037	8.7
95.04969	1.1
95.08600	64.0
96.08920	0.9
97.06512	1.3
97.10159	1.9
98.21471	0.9
101.05992	0.6
105.07017	1.9
107.08610	4.9
109.10149	33.5
117.06989	0.8
119.08575	1.6
121.06515	0.7
121.10141	4.3
123.08070	0.7
123.11699	19.5
125.09467	0.7
127.07551	1.0
131.08566	2.1
133.10146	1.7
135.11679	3.3
137.09596	0.7
137.12259	1.0
137.13240	7.2
139.11128	0.5
145.10123	1.5
145.25584	0.5
147.11685	1.8
149.02293	4.9
149.09622	0.7
149.13257	2.0
151.14813	1.3
153.09184	0.9
159.11694	0.7
161.13272	0.8
163.11221	1.1
163.14767	1.1
169.60011	0.7
173.13254	2.2
177.12776	1.1
183.39774	0.6
187.14738	0.8
191.14380	1.2
195.13750	0.8
205.15910	0.8
209.15430	1.8
223.16872	1.5
223.91226	0.5
243.20940	1.0
261.22156	1.8
265.34564	0.6
279.23175	19.9
279.26273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03933	1.3
53.96706	0.5
55.01864	0.5
55.05507	9.2
57.07066	3.1
65.03942	2.7
66.64164	0.4
67.05499	100.0
68.05827	0.9
69.07062	10.4
71.04982	1.3
79.05487	15.6
81.07049	98.6
82.07384	1.1
83.04972	1.1
83.08613	5.1
84.91486	0.5
85.06535	1.3
91.05463	4.8
93.07037	13.9
95.04945	1.2
95.08599	79.7
96.08947	1.1
97.06525	2.4
97.10153	3.6
98.21475	1.8
99.08074	0.9
103.16384	0.5
105.07037	3.4
107.07870	0.7
107.08589	10.1
108.15928	0.5
109.06489	1.2
109.10146	46.7
111.08051	1.1
117.07007	1.5
119.08570	3.7
121.02818	1.2
121.10138	8.2
123.08085	1.4
123.11699	23.6
127.07557	0.6
131.08530	4.3
133.10118	3.4
135.08054	1.0
135.11668	5.4
137.09592	1.7
137.13234	8.6
141.09039	0.7
145.10097	2.6
147.11658	2.3
149.02347	6.6
149.09589	1.7
149.13264	2.6
151.11218	1.0
151.14830	2.6
153.09108	0.5
159.11664	2.9
161.13254	1.8
163.11179	1.3
163.14795	2.0
165.12761	1.3
165.16377	0.7
167.10623	1.0
173.13237	3.8
177.12733	1.1
177.16388	1.1
179.14278	0.9
181.12239	1.5
187.14784	2.8
191.14284	1.4
195.13779	3.3
201.04521	0.5
201.16319	0.7
205.15916	1.3
209.15286	2.7
219.20969	1.2
223.16927	3.0
228.77203	0.5
235.14795	0.6
237.18492	1.4
243.21074	2.8
261.22128	5.0
279.09213	0.8
279.19965	1.6
279.23169	36.9
280.23441	0.9
280.26260	1.1
299.84390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1701
Annotation	Leu Phe
Peak:m/z	Relative Intensity
55.05495	0.4
56.05009	0.3
57.05810	0.5
57.07069	0.4
58.06590	0.4
65.03934	1.5
67.05497	1.0
69.03397	0.3
69.07063	12.3
69.20806	0.2
69.76141	1.2
70.06568	0.6
72.08155	0.6
78.71634	0.2
79.05482	0.3
81.07037	0.7
83.04963	0.4
84.08140	0.3
86.09696	100.0
87.10019	1.1
91.05444	1.1
93.03395	1.3
93.07036	0.9
95.04955	0.9
95.08591	2.3
98.20629	0.2
103.05491	0.4
105.07037	0.6
107.04966	0.3
107.08517	0.4
109.06535	0.3
109.10127	0.4
109.68986	0.2
111.04443	0.7
117.07006	0.5
119.04945	0.6
119.08549	1.4
120.08089	7.9
121.02852	1.8
121.06467	0.3
123.04420	0.3
123.08067	0.4
128.06224	0.2
131.08607	0.3
135.08020	0.3
135.65477	0.2
137.05960	0.3
138.06335	0.4
139.03897	2.2
145.10152	0.4
147.04405	1.3
147.07982	0.4
149.02330	3.8
149.09610	0.2
156.09311	0.5
162.02151	0.3
164.07005	0.2
166.08636	5.3
166.09926	0.4
175.07582	0.9
176.04646	0.2
177.09109	0.2
187.11194	0.3
193.08603	0.6
197.09621	0.3
199.11220	0.6
210.19347	0.2
215.10703	0.4
217.12186	0.3
218.89221	0.2
219.05807	0.3
219.08139	0.5
233.11731	0.8
233.16374	0.4
251.10744	0.3
261.12177	0.3
279.12305	1.2
279.16953	2.0
299.63168	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	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03939	1.3
55.05505	7.8
57.07062	2.2
60.27988	1.4
60.99293	1.3
62.04556	1.1
65.03926	2.2
67.05500	100.0
68.05827	1.5
69.07065	8.9
70.03831	2.8
70.04240	4.0
70.51172	1.2
71.04987	2.0
79.05501	13.0
79.38128	1.2
81.07051	98.4
83.08617	6.8
85.06535	3.1
91.05464	4.5
93.06538	1.6
93.07043	16.7
95.08600	80.6
97.06550	2.2
97.10162	2.5
101.32636	1.3
105.07015	3.8
107.08591	9.6
109.10144	24.6
111.23134	1.3
117.06975	2.2
119.08544	4.4
121.10136	10.6
123.11705	13.6
129.19460	1.2
131.08560	7.3
133.10107	4.2
135.08035	1.9
135.11671	9.3
137.13240	9.1
145.10091	3.6
147.11673	2.9
149.09650	3.4
149.13235	4.8
151.14806	5.0
159.11670	6.9
161.13240	2.3
163.11121	3.9
163.14795	2.0
165.16389	2.2
167.10619	1.6
171.90448	1.3
173.13232	7.6
177.12686	4.0
181.12215	2.7
187.14772	3.1
191.14265	2.9
195.13759	4.3
209.15308	4.1
223.17014	1.7
243.21089	2.0
261.22141	2.2
279.23172	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1701
Annotation	Phe Leu
Peak:m/z	Relative Intensity
52.10222	0.1
53.03927	0.2
55.01106	0.1
55.01825	0.1
55.05484	0.2
56.96552	0.3
57.07057	0.3
65.03922	0.1
65.63232	0.1
67.05511	0.2
69.03418	0.1
69.07054	0.2
69.26993	0.2
69.27338	1.5
70.06603	0.2
72.04519	0.1
77.03880	0.1
79.05483	0.3
81.03413	0.2
81.07048	0.2
82.20621	0.1
86.09697	5.5
91.05464	0.9
91.47070	0.1
93.07034	2.0
95.04957	0.5
98.97572	0.2
103.05453	6.1
105.06996	0.2
107.08551	0.2
109.10153	0.2
116.98611	0.1
119.07342	0.2
119.91381	0.1
120.08090	100.0
121.02879	0.3
121.07644	0.2
121.08427	1.6
132.10185	2.1
142.36163	0.1
149.02333	1.3
167.21336	0.2
180.36484	0.1
213.22516	0.1
231.04185	0.1
232.97629	0.1
233.09315	0.1
233.16483	1.1
279.17032	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	279.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16687	0.3
53.03941	0.5
55.01866	0.6
55.05508	33.3
56.05038	0.4
56.96558	0.7
57.07065	1.4
57.98803	0.4
58.99580	17.3
59.70548	0.3
60.22846	0.3
61.01151	0.6
67.05504	0.7
69.03418	0.4
69.07067	0.7
70.06593	1.8
70.89591	0.8
72.08144	0.8
73.01130	1.1
74.02462	0.3
75.02706	0.3
75.27380	0.3
76.02225	6.8
76.03991	3.7
79.05491	1.1
81.03413	0.5
81.07055	1.4
83.08614	28.8
84.04508	0.5
84.08135	1.8
85.01110	0.5
86.09697	1.3
86.99046	15.0
88.02216	4.7
91.05501	0.9
93.07024	0.5
95.04976	0.3
95.08583	0.7
97.06562	0.5
98.97574	0.6
99.02679	0.4
101.09644	1.6
105.07027	0.8
107.04969	0.3
107.08587	1.2
109.06554	0.3
109.10176	0.3
115.05748	0.6
116.01669	60.3
116.07038	0.3
116.98588	0.7
117.01969	0.5
119.04894	0.4
120.08076	1.0
121.10102	0.4
122.39120	0.3
129.07303	0.7
129.10223	0.7
130.04974	0.8
134.99603	0.5
137.05963	1.5
138.06355	1.2
144.01135	27.3
147.04385	1.4
148.05835	0.3
149.02333	6.7
159.08376	8.7
162.02190	100.0
163.02538	0.8
167.03362	0.4
168.01357	0.3
177.00739	0.4
177.05428	0.4
179.04834	0.5
191.06946	0.8
193.14145	0.5
204.05685	0.3
219.05873	0.3
244.09959	1.5
255.03976	0.7
262.11075	18.9
279.13678	2.8
279.17673	1.2
287.71341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	40.8
58.99584	18.8
69.79941	5.1
71.25265	0.9
73.01133	1.6
76.02217	7.3
76.03990	3.7
81.07033	0.9
83.08611	34.5
83.09110	1.9
86.98591	1.4
86.99049	15.8
88.02213	4.8
101.09635	1.4
113.04136	1.0
116.01665	62.4
124.18102	0.9
129.07317	1.1
137.52875	0.9
144.01131	28.6
149.02257	1.5
159.08398	8.7
162.02188	100.0
163.02496	1.1
179.04895	1.1
232.05380	0.9
244.10043	1.3
262.11053	18.6
279.13745	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	279.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05506	33.2
55.55903	0.7
57.24672	0.7
57.28878	0.6
58.99578	16.0
61.01138	1.0
61.33284	0.6
71.12375	1.8
73.01122	2.6
73.61731	0.6
75.73105	0.7
76.02225	5.1
76.03992	3.4
83.08614	26.4
83.09106	1.5
85.01125	0.6
86.99047	12.7
88.02195	3.6
90.30347	0.6
101.09612	1.3
115.05782	1.2
116.01663	54.3
144.01125	26.2
159.08392	9.2
162.02185	100.0
163.02519	0.6
244.10078	0.9
262.11050	16.4
270.35519	0.7
279.13623	2.1
283.46988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
56.05043	2.4
56.96555	5.8
57.07066	6.9
60.38579	1.1
65.03927	1.4
67.05501	12.5
69.03426	1.1
69.07052	2.7
70.06589	44.8
71.10974	2.4
72.08158	2.2
72.93783	1.1
74.06068	2.8
77.65156	1.0
79.05485	1.7
81.07059	9.9
84.04472	2.1
84.08127	5.3
85.02892	1.6
86.09681	2.9
87.56163	1.0
91.05476	28.3
93.07024	2.1
95.08591	8.3
97.02903	1.2
97.06528	1.2
98.97570	10.5
105.07033	1.2
107.04967	1.9
107.08603	1.3
109.10143	5.1
110.07144	2.0
114.05502	3.8
116.07087	94.1
116.98627	11.0
119.04938	20.9
121.02847	3.0
121.06505	2.8
123.11698	2.9
128.98596	3.6
129.10225	2.4
134.99666	9.4
136.07570	100.0
137.13229	1.4
141.10289	1.8
142.03497	1.0
143.00154	2.0
145.06473	2.4
146.99622	5.6
147.04402	11.2
149.02335	51.8
152.07025	1.3
153.00677	2.5
158.06267	1.1
158.99675	3.6
161.01210	2.6
167.03387	1.5
177.00693	11.2
181.34494	1.1
189.00696	5.3
195.01726	2.4
207.01764	4.4
215.13957	4.0
237.02632	5.8
255.03738	5.5
261.12473	1.3
262.10730	3.5
279.03918	1.7
279.09308	3.6
279.13382	13.7
279.23102	3.6
280.63275	1.1
297.04907	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	279.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.96563	0.6
57.07065	0.2
58.06595	4.4
60.53471	0.2
67.05497	0.4
69.77764	1.2
71.04964	0.2
72.08154	1.0
75.96107	0.2
81.07061	0.6
86.09698	0.5
91.05493	0.2
93.07035	0.5
94.04033	0.6
95.04940	0.3
95.08617	0.4
97.02869	0.6
98.21478	0.3
98.97565	0.6
105.07020	0.3
112.31931	0.2
116.07096	0.6
116.98610	0.5
118.08646	8.0
119.03534	3.6
120.08108	0.8
121.00594	0.2
121.02831	0.2
121.10092	0.3
128.98618	0.3
134.99664	0.6
136.06171	100.0
137.04568	3.3
137.06554	0.5
137.09564	0.3
143.08615	0.2
149.02324	2.8
162.04095	30.1
163.04446	0.3
188.00435	0.4
191.08582	0.2
214.96300	0.2
219.09938	0.5
235.47568	0.3
243.02362	0.4
247.22896	0.2
279.12082	3.8
287.05463	0.3
302.04163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03939	4.9
55.01857	4.5
55.05506	23.2
55.42481	1.3
56.96555	2.1
57.07066	7.5
62.13834	1.2
62.41348	1.1
65.03921	1.5
67.05501	44.9
69.03409	1.4
69.07063	19.7
69.41244	2.9
69.41661	8.7
70.21777	1.1
71.04980	3.6
71.08614	3.1
71.99546	1.2
79.05488	74.0
81.03413	2.3
81.07053	48.3
83.04977	3.1
83.08616	12.8
85.06530	2.9
91.05479	33.2
93.07037	100.0
95.04967	10.6
95.08601	34.7
97.06532	4.3
97.10146	4.8
99.08069	1.5
105.04496	1.3
105.06380	1.7
105.07032	22.4
107.04954	2.3
107.08583	57.6
109.06493	4.0
109.10141	16.6
111.08083	3.9
117.06997	5.9
119.08563	18.6
121.06498	2.9
121.10131	44.7
123.08031	3.1
123.11692	4.9
125.09605	3.0
129.06990	2.7
131.08548	7.0
133.06403	1.7
133.10127	17.2
135.08015	3.5
135.10663	2.8
135.11687	46.5
137.09587	2.8
143.08534	4.1
145.10129	5.9
147.08107	1.8
147.11699	10.7
149.09613	1.9
149.13246	27.8
151.11118	2.3
157.10075	2.6
159.11681	4.3
161.09537	3.4
161.13235	9.4
163.11191	3.0
163.14833	7.0
165.12798	2.6
171.11690	3.9
173.13251	3.3
175.11172	2.9
175.14842	4.1
177.12662	2.0
177.16373	1.5
179.10616	3.6
181.12054	1.9
185.13191	3.3
189.12796	2.2
193.12314	1.3
195.13911	2.7
199.14766	2.3
203.14307	2.2
207.13742	3.0
213.16273	2.2
217.19388	1.6
221.15282	6.0
231.20917	2.0
235.16980	7.9
241.19432	3.3
259.20511	7.3
277.18216	7.1
277.21609	95.8
278.21954	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	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.89508	1.2
53.03931	5.6
54.72048	1.1
55.01861	2.0
55.05510	18.9
57.07062	2.1
58.21006	1.1
65.03944	1.2
67.05501	38.8
69.07064	13.2
69.56847	3.7
69.57266	5.7
71.04981	2.3
71.08270	2.0
71.08629	23.3
77.53826	1.2
79.05489	67.5
79.05956	3.3
81.03394	4.3
81.07053	50.0
83.04968	5.0
83.08606	8.7
85.06537	1.5
91.05475	30.1
93.07039	100.0
95.04971	13.6
95.08598	36.2
97.06525	2.9
97.10149	2.8
99.08086	16.0
105.07016	20.3
107.04913	4.9
107.08589	63.3
109.06514	3.6
109.10130	10.3
117.06995	4.0
119.08573	17.5
121.06538	1.4
121.10134	44.5
123.08030	1.7
123.11708	2.5
129.06985	2.3
131.08557	6.3
133.10127	10.2
135.11679	56.6
137.09586	3.7
141.09035	2.3
142.14558	1.3
143.08524	1.9
145.10104	4.4
147.11661	6.8
149.09668	1.9
149.13246	18.2
151.11176	8.8
157.10185	1.4
159.11687	4.3
161.13228	7.5
163.11154	3.9
163.14841	2.2
163.94690	1.2
167.10638	3.6
169.00505	1.3
170.79932	1.4
171.11667	2.9
175.14815	1.9
177.12782	3.9
179.14299	24.7
185.13228	3.4
189.12724	1.5
193.12375	1.4
195.13802	3.1
199.14780	1.4
221.15271	4.2
231.17519	1.6
235.16914	4.0
241.19635	1.7
259.20557	5.4
277.21613	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02372	1.1
52.26937	0.9
53.03929	4.8
55.01874	1.1
55.05510	17.4
56.65856	0.9
57.07057	2.5
65.03934	1.7
67.05498	33.0
69.03416	1.0
69.07062	14.3
69.27771	9.9
71.04983	2.3
75.81681	0.8
77.03880	1.3
79.05487	75.5
80.34703	0.8
81.07050	37.8
83.04953	1.8
83.08630	7.5
85.06535	2.1
91.05471	27.6
93.07037	100.0
95.04972	9.2
95.08600	24.6
97.06516	2.1
97.10139	2.8
98.21514	1.7
99.08090	0.9
101.06000	1.4
105.04482	1.0
105.07016	13.7
107.08587	51.5
109.06501	2.1
109.10152	13.5
117.07007	3.5
118.32358	1.0
119.08578	11.2
121.06521	1.2
121.10132	45.3
123.08046	1.8
123.11703	2.4
125.09647	1.2
129.06973	1.6
131.08556	3.6
133.10132	12.2
135.08038	1.2
135.11679	53.6
139.11224	1.1
143.08591	1.9
145.10107	2.6
147.11664	7.0
149.09625	1.8
149.13249	24.6
151.11215	1.2
157.10086	1.7
159.11659	2.9
161.13248	3.7
163.14761	4.6
167.10614	1.1
171.11685	2.6
173.13287	2.4
175.11153	1.3
175.14775	2.0
179.10664	1.0
181.12183	2.0
185.13260	1.7
189.12689	1.1
195.13803	1.7
199.14780	1.7
207.13844	2.1
211.83751	0.9
213.16397	1.9
221.15367	3.2
235.16901	4.5
241.19524	2.0
259.20602	4.4
266.02591	0.8
273.31046	0.9
277.21600	65.9
278.21945	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
50.97300	1.1
53.03922	3.8
55.01867	1.9
55.05507	20.1
57.07055	2.6
67.05499	30.7
69.07068	15.3
69.91996	5.1
69.92404	2.1
71.04961	2.6
79.05484	82.2
81.07052	33.4
83.04978	2.2
83.08600	8.5
91.05473	34.6
93.07034	100.0
94.98273	1.1
95.04958	12.7
95.08599	25.5
97.06557	1.7
97.10154	2.6
105.04497	1.8
105.07012	16.8
107.08579	49.3
107.92142	1.4
109.06526	2.1
109.10147	12.0
117.06980	3.2
119.08561	11.4
121.10126	42.5
123.11698	3.0
131.08546	5.2
133.10115	12.7
135.11681	47.2
137.63393	1.2
143.08571	2.9
145.10062	2.7
147.11668	8.4
149.13249	24.2
155.89159	1.1
159.11653	1.8
161.13222	3.6
163.14757	6.1
171.11684	2.1
173.13206	3.5
175.14818	2.6
177.12740	1.4
185.13129	2.9
189.12729	1.3
199.14699	1.5
207.13792	1.9
213.16214	1.5
221.15372	3.3
235.16943	3.0
259.20450	4.2
277.21594	58.5
278.21646	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	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02374	0.7
53.03941	4.1
53.41648	0.6
55.01863	2.6
55.05254	1.4
55.05508	19.1
57.03431	1.7
57.06817	0.7
57.07067	4.0
64.90720	0.7
65.03937	2.5
67.05501	41.6
68.60420	0.7
69.03429	0.9
69.06712	1.2
69.07063	16.6
69.41344	6.3
70.72703	0.6
71.04984	2.1
71.08628	20.3
77.03905	1.0
79.05489	66.0
80.05804	0.9
81.03415	4.5
81.07053	50.7
83.04979	5.0
83.08625	8.4
85.06538	2.4
91.05475	32.2
93.07038	100.0
95.04970	13.3
95.08604	34.9
97.06530	3.4
97.10155	3.4
99.08089	16.0
105.04475	1.1
105.07022	19.3
107.04962	4.1
107.08589	57.3
109.06526	3.8
109.10149	10.7
111.08070	1.7
113.09657	1.1
115.05486	0.6
115.51952	0.6
117.06990	3.6
119.08570	12.6
121.06486	1.5
121.10137	43.3
122.52549	0.7
123.08085	1.2
123.11709	2.9
129.07005	1.7
131.08549	5.0
133.06479	0.8
133.10120	8.3
133.29179	0.6
135.08072	1.4
135.11690	52.7
137.09593	2.9
137.13199	0.9
139.11165	2.0
141.09103	2.7
143.08542	2.4
145.10092	4.4
147.07964	1.0
147.11676	7.5
149.09612	1.5
149.13242	16.9
149.22534	0.8
151.11180	10.0
157.10130	1.8
159.11697	3.5
161.09642	0.9
161.13235	7.2
163.11169	3.7
163.14824	4.1
165.12788	1.2
167.10663	2.4
171.11699	2.5
173.13181	0.9
175.11198	0.7
175.14798	1.9
177.12776	1.8
179.10675	2.0
179.14310	23.3
181.12180	1.3
185.13246	2.6
189.12746	1.8
195.13818	3.1
199.14899	1.0
203.14320	0.9
207.13832	1.9
209.15326	0.8
221.13419	0.8
221.15257	4.6
231.17404	1.0
231.21097	1.2
235.16896	6.0
241.19464	1.9
259.20541	5.2
277.18411	3.1
277.21606	77.2
278.21939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97607	1.1
53.03926	4.0
55.05501	20.8
57.07064	4.1
65.03914	2.2
66.36047	1.3
67.05496	30.4
69.07060	16.1
70.85896	2.1
71.04983	2.0
79.05482	74.7
81.07043	34.4
83.04955	1.6
83.08594	7.6
85.06544	1.5
91.05469	25.7
93.07032	100.0
95.04961	10.4
95.08588	24.3
97.06515	1.8
97.10162	3.4
105.04501	1.5
105.07023	14.6
107.08578	45.8
109.06495	3.1
109.10136	9.0
117.07001	2.1
119.08558	10.5
121.10126	46.1
123.08042	2.0
123.11686	1.8
125.09549	1.5
129.06937	2.6
131.08517	5.8
133.10121	10.3
135.08009	1.8
135.11667	41.4
143.08510	2.6
145.10104	4.3
147.11653	5.6
149.13246	20.4
157.10066	1.7
159.11688	2.3
161.13129	2.7
163.14803	4.1
165.12582	2.0
171.11638	2.2
171.37642	1.2
173.13257	2.1
179.70049	1.3
185.13164	1.7
189.22231	1.5
195.13777	2.4
221.15289	1.7
235.16887	4.4
235.42546	1.3
241.19452	2.1
259.20526	4.1
277.21594	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1069
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
53.03945	1.9
55.01862	3.7
55.05507	3.8
56.96550	1.5
57.03431	3.1
64.50166	1.0
66.61263	1.2
67.05502	7.3
69.03424	2.4
69.07063	20.9
70.06584	2.4
70.16032	4.7
71.04990	2.1
72.08158	2.5
73.06545	1.2
79.05488	16.0
81.07042	4.4
83.05000	1.4
85.02855	1.3
88.03982	3.2
89.03902	8.0
91.00863	1.4
91.05466	3.5
93.07035	5.2
95.04951	4.3
95.08588	4.4
97.06522	100.0
97.21607	1.0
98.21374	1.4
98.97614	1.3
105.07052	1.7
107.04959	4.7
107.08593	2.2
109.10139	2.6
117.03374	9.2
121.10178	2.2
129.06993	2.4
131.04947	1.4
131.08585	1.5
133.02791	5.6
133.10110	1.8
135.04411	15.7
135.11662	2.2
145.02827	9.8
147.04329	1.9
149.02335	1.8
149.76941	1.2
151.03946	1.3
157.10091	1.3
159.04387	7.1
161.02332	24.1
163.03889	60.5
164.04404	1.2
173.02333	51.5
185.06024	2.2
187.07489	1.1
189.05434	1.7
191.03363	15.2
197.06041	1.9
215.07011	67.1
217.04997	1.2
233.08076	7.3
235.16731	1.6
259.09644	34.1
267.09036	1.5
277.08197	1.4
277.10751	5.7
277.18185	1.2
277.21588	2.5
277.25211	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	277.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63546	20.4
70.63895	8.4
75.01448	5.9
77.44378	6.2
94.82060	5.7
109.89486	6.8
133.03474	18.7
256.56750	9.2
277.03131	26.0
277.06653	7.1
277.08984	100.0
285.83102	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	277.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44644	0.4
60.66254	0.4
71.58848	0.5
80.10049	0.3
92.95492	0.4
101.00881	0.8
103.02468	0.6
115.02423	0.5
119.01922	3.4
121.01655	1.0
125.01040	0.4
127.91093	0.4
131.01881	1.1
133.01668	1.0
133.03450	3.2
137.02922	0.9
143.01906	1.2
145.03464	1.4
147.03159	0.5
151.04504	1.3
155.01881	1.3
157.01581	0.5
157.03470	0.9
159.05122	0.4
161.02956	2.2
170.86873	0.4
173.02940	1.8
175.02744	1.5
175.04504	1.4
175.39418	0.4
176.57925	0.4
177.05981	0.4
180.10411	0.4
187.02779	0.6
187.04539	1.1
189.06122	0.5
201.06105	0.6
211.04578	0.7
217.05612	1.1
248.00072	0.4
257.28632	0.4
277.08936	100.0
278.09311	0.8
295.08591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75148	15.8
56.96569	89.9
57.03430	16.9
59.43297	14.7
60.04523	26.8
63.47681	12.5
69.03428	23.8
70.06586	89.1
70.31560	47.4
70.31956	23.5
72.08136	53.1
74.00630	16.9
80.04991	21.5
81.27081	13.4
84.04507	32.8
84.08141	94.2
84.96011	21.6
85.02893	22.6
86.06094	14.4
86.09684	18.8
89.03079	14.9
98.97559	100.0
110.97573	35.4
112.99112	15.2
116.98619	54.7
119.01917	33.9
121.01632	16.3
126.12891	16.8
128.98608	58.6
129.10229	17.5
131.00191	17.4
133.01778	14.2
133.03433	42.0
144.13858	25.6
146.99657	21.7
149.01157	24.2
158.99693	23.1
161.01237	19.5
161.02931	39.9
161.66002	13.9
163.04401	17.0
164.98907	13.9
170.99634	18.3
177.00713	24.0
177.06099	22.9
195.06947	12.9
219.01605	17.1
237.02846	81.2
245.04993	23.4
277.03146	69.5
277.06345	29.1
295.06949	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	277.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34632	2.5
52.01113	3.2
55.93512	3.5
56.96561	13.5
57.07069	2.8
61.53630	2.9
69.46677	24.4
70.46680	3.3
70.95864	4.4
79.05564	2.6
93.06995	3.8
98.97572	67.8
101.00874	5.8
104.79088	3.4
116.98609	68.5
119.01108	5.2
119.01911	47.4
120.02042	6.1
121.01672	14.0
131.01892	6.5
134.99664	64.8
135.11693	2.6
137.02965	26.5
138.03065	4.6
139.02681	11.8
142.03484	16.0
143.01848	5.0
143.03607	4.3
144.03185	7.2
145.03343	3.3
153.00739	8.8
157.03447	6.7
160.04596	8.2
161.02942	27.9
162.04315	3.1
163.03882	8.0
173.02881	4.7
175.04509	7.0
177.00850	20.9
178.01103	7.5
179.00682	14.8
185.02982	3.3
187.04449	3.8
203.04128	2.9
210.37299	2.8
210.95728	19.4
219.02008	34.3
220.02145	6.5
221.01802	11.1
230.48817	3.6
230.83995	2.9
234.95804	10.1
234.99709	3.8
235.16948	8.8
235.96193	2.8
236.99507	8.5
241.80151	2.8
250.49374	3.3
250.99234	63.6
251.49318	31.4
251.96716	3.9
251.99133	15.7
252.96877	15.6
256.96631	18.8
257.96799	11.6
258.96439	22.9
258.99777	38.5
259.06686	3.4
259.96411	3.8
261.03110	31.3
262.00638	3.2
262.03183	15.8
262.50052	12.7
263.00107	7.3
263.02863	26.6
263.49927	3.4
264.03030	6.8
265.02716	3.7
272.94205	4.5
274.97678	12.4
275.97964	7.6
276.97101	43.8
277.00812	100.0
277.05005	4.4
277.07632	20.1
277.17892	7.7
277.21469	3.1
277.97766	3.5
278.00949	4.8
279.00833	5.4
279.98163	3.3
281.98004	4.1
284.99814	4.9
290.95377	7.0
294.97711	19.2
295.08755	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	2.1
55.01863	3.8
55.05505	17.0
56.96537	1.0
57.03436	1.2
57.07058	3.2
65.03938	1.4
67.05501	18.6
69.03419	1.0
69.07065	10.4
69.64995	0.9
70.06573	3.9
71.04963	1.4
71.08615	1.2
71.42931	1.1
79.05486	20.0
80.05801	1.3
81.07053	20.1
83.04967	2.9
83.08613	5.9
85.06529	2.0
88.07605	3.3
89.07948	1.6
91.05474	36.3
93.07040	19.3
95.04968	5.2
95.08595	13.1
97.06506	2.8
97.10159	2.4
102.09177	1.3
105.07024	57.0
106.05212	1.0
106.08655	3.2
107.04952	4.2
107.08586	17.5
109.06494	3.0
109.10123	6.9
111.04472	1.0
111.08051	1.6
115.05433	1.3
117.07020	10.8
119.08572	30.3
121.06497	3.1
121.10136	8.5
123.08065	2.4
123.11655	2.2
125.09602	1.8
129.06973	2.1
131.08560	16.4
133.06490	1.5
133.10121	39.1
134.10536	0.9
135.08054	2.5
135.11667	3.3
137.09587	1.6
141.07014	1.1
143.08546	2.4
145.10109	17.3
147.08035	1.5
147.11679	22.6
149.09616	9.0
149.13240	2.1
151.11176	1.0
155.08521	2.0
157.10127	3.3
159.11674	8.4
159.74960	0.9
161.09644	1.8
161.13225	4.5
163.11134	5.4
169.10103	1.6
171.11656	2.3
173.11696	1.0
173.13193	3.6
177.12677	2.0
183.11676	2.7
185.13332	1.3
187.11154	2.3
191.14297	1.5
197.13268	2.3
198.53027	0.9
201.12694	1.6
205.12198	1.0
211.14796	1.9
229.19485	3.3
239.17867	4.3
257.18970	11.2
257.26642	2.2
275.20044	100.0
275.27734	40.8
276.20407	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	2.6
55.01873	3.1
55.05509	12.1
57.03413	3.5
57.07064	5.5
67.05500	17.0
69.07060	10.4
70.06588	3.0
70.77094	3.9
70.77439	3.0
71.04985	11.8
79.05482	20.7
81.07053	22.4
83.04962	8.2
83.08603	5.7
84.86224	1.7
85.06539	7.8
91.05474	39.1
93.07037	24.1
95.04961	4.8
95.08599	19.2
97.06515	6.2
105.07028	55.3
106.08652	2.4
107.04924	5.4
107.08574	22.6
109.06509	10.8
109.10162	6.4
111.08070	8.2
116.06216	2.4
117.06985	12.5
119.08578	36.6
121.06506	4.9
121.10123	16.9
123.08083	5.5
123.11692	3.4
123.23237	1.9
125.09591	2.3
129.06972	4.8
131.08557	30.8
133.10123	45.5
135.08023	16.4
135.11667	6.5
137.09595	6.7
139.11195	2.5
141.06927	2.1
142.07756	6.7
143.08539	14.6
144.09352	3.6
145.10114	24.2
146.97400	2.8
147.07991	3.6
147.11655	21.4
149.09619	5.8
155.08548	5.5
157.10123	21.5
158.10875	4.7
159.11696	38.6
161.09615	4.7
161.13271	4.9
163.11206	6.7
169.10141	5.1
171.11690	7.3
173.09599	2.2
173.13240	40.9
174.13968	4.2
175.11154	10.8
175.14784	4.7
177.12766	7.3
183.11650	10.0
187.11194	5.2
187.14825	8.8
189.12607	2.6
191.14333	7.4
196.12596	2.1
197.13268	7.5
199.14795	16.8
201.12727	6.7
206.32927	2.2
211.14825	2.3
213.16359	4.4
215.14377	4.6
215.17899	7.0
219.13722	2.1
229.15881	6.7
239.17976	8.4
257.16357	2.2
257.19012	20.1
275.16858	6.2
275.20053	100.0
275.23074	5.1
275.27728	22.5
286.53683	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03930	1.6
55.01873	3.7
55.05259	0.9
55.05507	12.9
56.96539	1.2
57.03436	1.8
57.07061	2.7
65.03922	1.0
67.05499	20.0
69.03427	1.2
69.06786	0.6
69.07066	8.4
69.41925	5.4
69.42332	1.1
70.06572	2.7
71.04980	2.3
79.05485	19.7
81.03403	1.1
81.07049	22.4
83.04967	3.7
83.08599	5.7
85.06543	1.4
86.49339	0.6
88.07616	2.5
89.07977	0.9
91.05475	44.7
93.07034	19.2
95.04975	5.4
95.08591	14.5
95.34711	0.7
97.06507	2.5
97.10168	2.0
98.21512	1.4
98.97581	0.9
99.08069	0.9
103.05428	1.7
105.07022	65.3
106.08667	1.5
107.04965	4.3
107.08578	12.9
109.06502	3.4
109.10159	5.3
111.08051	1.5
115.05472	1.0
116.06209	1.0
116.98629	0.8
117.07005	12.1
119.08575	33.8
120.08922	0.8
121.00448	1.9
121.06525	3.9
121.10130	6.6
123.08110	3.9
123.11646	1.2
125.09606	1.3
129.06995	2.3
130.00932	0.9
130.07811	1.1
131.08562	15.2
133.06505	1.5
133.10121	44.3
135.08038	3.4
135.11719	3.9
137.09583	2.1
141.07016	1.0
143.01794	1.4
143.08522	2.6
145.10114	15.6
147.08037	2.2
147.11682	22.8
149.09595	5.3
149.13240	1.8
151.11189	1.4
155.08592	1.6
155.99327	0.7
157.10098	2.1
159.08058	1.0
159.11687	9.5
161.09610	2.5
161.13239	5.5
163.11194	2.3
165.12724	0.9
167.10728	0.9
169.10107	2.2
169.98999	0.8
171.11646	3.4
173.09622	1.3
173.13173	4.7
175.11127	1.5
175.14799	0.8
177.00201	2.6
177.12747	2.5
183.11673	1.7
185.13235	1.2
187.11169	1.2
197.13263	2.2
200.43076	0.8
201.12733	2.1
211.14896	1.0
213.16499	1.1
215.14301	1.0
215.17853	1.7
217.02614	1.6
219.13947	1.0
229.15862	0.9
229.19485	1.7
239.17912	3.8
247.20592	3.0
257.18991	9.6
257.26791	1.0
275.20050	100.0
275.27728	24.9
276.20349	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03936	2.9
55.01874	5.6
55.05509	14.8
57.03433	11.3
57.07067	1.3
64.94695	1.1
65.03941	1.8
65.83082	1.1
67.05174	1.3
67.05508	23.1
68.88821	1.1
69.03433	1.6
69.07068	11.9
71.04981	2.6
71.61068	1.0
71.61508	1.3
71.81290	1.0
79.05492	30.0
80.53033	1.2
81.03413	1.5
81.07058	39.9
83.04973	3.4
83.08624	6.3
85.06530	2.9
91.05480	49.7
93.07043	25.7
94.80491	1.0
95.04971	6.0
95.08606	17.2
97.06527	4.8
97.10181	2.4
99.08098	1.7
103.05465	2.3
105.07030	70.1
107.04927	5.6
107.08591	15.5
109.06499	10.6
109.10161	8.7
111.08070	2.1
111.41389	1.1
117.07017	14.8
119.08576	43.7
121.06506	4.1
121.10133	11.3
123.08054	3.9
123.11705	1.6
124.01191	1.2
128.06252	1.4
129.07016	5.3
131.08569	18.1
133.10124	40.0
135.08066	4.4
135.11700	4.6
137.09578	3.5
143.08556	4.4
145.10106	15.2
147.11684	20.8
149.09598	8.4
149.13268	2.3
151.20784	1.3
157.10141	4.2
159.11694	13.9
161.09631	1.9
161.13249	5.5
163.11140	1.8
165.12706	1.4
169.10089	1.6
171.11795	2.8
173.13254	6.2
175.11075	1.8
175.14810	4.1
183.11714	2.6
185.13216	5.1
187.14832	1.3
191.14313	2.4
197.13208	1.8
201.16364	5.0
203.14337	7.1
215.17952	1.8
219.17444	38.7
229.19516	1.4
232.50940	1.3
239.17955	3.4
247.20589	3.4
257.19077	8.0
275.20065	100.0
275.27863	3.4
276.20389	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	275.2003
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
53.03935	1.2
55.05491	3.0
67.05493	4.6
69.03381	0.9
69.07054	11.2
69.35393	9.2
71.04986	2.4
79.05479	3.8
81.07037	5.1
83.08634	1.0
85.06523	2.6
91.05476	6.0
93.07030	9.8
95.04966	2.6
95.08606	6.9
97.06503	1.6
105.07033	9.9
107.08583	8.3
109.06509	3.5
109.10149	5.4
111.08067	17.8
111.11715	1.3
111.95569	0.9
113.09631	4.1
117.06981	2.1
119.08571	8.1
121.06490	3.5
121.10145	6.4
122.07291	4.9
123.08050	18.2
123.11687	2.1
127.09624	0.9
128.06157	1.0
129.06981	1.3
131.08533	9.8
133.10117	5.3
135.08047	21.6
135.11688	3.3
137.09567	2.1
139.11166	2.5
143.08507	2.7
144.09285	1.4
145.10173	6.1
147.11668	6.6
149.09607	4.7
149.13290	1.1
156.09355	1.7
157.10106	3.4
159.11662	8.1
161.09569	1.6
161.13306	0.9
163.11201	3.0
165.12703	1.8
171.11668	15.2
173.13248	4.6
175.11162	1.1
175.14836	1.7
176.11911	5.9
177.12691	1.3
181.12236	14.6
183.11708	1.5
183.45717	0.8
189.12759	2.6
191.14290	100.0
192.14595	2.1
197.13293	0.9
199.14807	5.7
201.12820	1.2
213.16435	1.4
215.17978	3.8
217.15793	5.4
233.19077	1.1
239.18011	1.5
257.19012	7.7
275.20044	38.1
275.27945	1.2
286.21088	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.24372	1.7
50.24652	1.5
53.03928	3.2
55.01869	13.0
55.05507	18.2
57.03426	1.9
67.05168	2.1
67.05499	27.0
67.54678	1.6
69.03396	2.0
69.07069	12.1
70.86288	5.4
71.04978	3.6
73.51723	1.6
73.82267	2.2
79.05060	2.9
79.05489	38.8
80.37812	1.9
81.03418	2.5
81.06637	2.4
81.07055	29.8
83.04959	4.1
83.08612	9.5
84.79191	1.6
85.06505	2.3
91.05473	38.0
93.07044	25.8
95.04950	7.9
95.08615	15.1
97.06525	18.1
97.10140	4.9
99.08080	2.6
105.07023	51.9
107.04955	16.9
107.08580	24.1
109.06500	7.7
109.10150	12.1
109.10783	2.3
110.34251	1.9
111.08067	2.5
112.18995	1.9
117.07001	10.7
119.08575	33.3
121.06510	3.7
121.10129	11.8
123.04424	1.9
123.08011	2.9
123.11716	4.6
125.09600	3.9
129.06938	1.9
131.08536	18.4
133.10129	24.7
135.08022	6.0
135.11674	2.4
137.09595	3.5
143.08531	3.5
145.10106	16.7
147.11682	21.3
149.09607	30.6
155.08502	2.0
157.10144	3.4
159.11716	8.5
161.13232	4.9
163.11156	5.5
165.09148	1.8
169.10060	2.4
171.11633	2.8
173.13220	4.9
177.12761	3.0
179.10747	2.1
183.11728	3.2
187.11122	2.0
197.13280	2.2
229.19554	6.4
233.15382	2.5
234.25693	1.8
239.17908	5.0
247.20512	4.5
257.18982	13.5
275.20038	100.0
276.20288	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03926	1.2
55.01854	3.5
55.05504	16.9
57.03418	2.5
57.07058	1.2
65.03922	1.3
67.05168	1.5
67.05502	21.7
69.03430	1.3
69.07060	11.0
70.40506	2.6
70.40899	1.8
71.04988	2.4
79.05058	1.8
79.05488	23.4
81.07056	27.2
83.04959	4.0
83.08622	6.5
85.06516	1.6
91.05479	42.0
93.07038	24.2
95.04984	5.4
95.08047	1.5
95.08602	17.6
96.56416	1.1
97.06503	4.0
97.10165	1.7
103.05464	2.1
105.07029	48.9
107.04964	7.1
107.08584	17.5
109.06548	5.6
109.10144	6.3
111.08075	1.7
117.07015	9.4
119.08579	34.1
121.06519	5.5
121.10125	10.9
123.08077	5.4
123.11699	1.6
125.09615	1.6
129.06978	3.8
131.08549	15.0
133.06543	1.9
133.10121	32.5
133.16351	0.9
135.08038	8.2
135.11664	3.4
137.09599	3.1
143.08522	2.7
145.06613	1.3
145.10091	15.1
147.07999	1.6
147.11679	22.3
149.09616	11.2
149.13222	1.8
151.11223	2.3
155.08479	1.8
157.10083	3.6
159.11667	10.8
161.09607	2.3
161.13229	5.5
163.11140	6.6
163.14664	1.1
169.10124	2.5
171.11678	3.3
173.13229	5.2
175.11189	2.6
175.14787	1.5
177.12735	2.2
179.10663	1.3
183.11671	2.6
185.13223	1.4
187.11208	1.8
187.14806	2.0
191.14227	2.0
193.12297	1.3
197.13292	2.0
201.12625	1.4
203.14302	1.1
210.70895	1.1
211.14746	1.2
219.17459	1.8
229.19545	3.5
239.17924	5.3
247.20526	3.7
257.18973	10.6
275.20047	100.0
276.20328	1.5
299.18372	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03942	2.5
55.01857	5.8
55.05502	15.9
57.03428	1.4
57.07063	1.5
60.72784	1.1
65.03946	1.7
67.05499	19.8
67.05849	0.7
69.07056	13.3
70.29810	1.0
71.04993	2.5
71.43157	2.3
79.05484	22.8
81.03402	2.4
81.07048	30.6
83.04977	4.2
83.08604	9.4
85.06559	1.7
91.05473	44.2
93.07039	25.3
95.04979	6.7
95.08601	15.8
97.06532	6.6
97.10139	1.9
100.24165	1.1
103.05453	2.0
105.07025	61.9
107.04948	7.3
107.08572	15.1
107.09209	1.8
109.06513	5.0
109.10152	5.9
111.08035	2.1
117.07003	11.0
119.08569	38.8
121.06494	4.5
121.10146	6.9
123.08078	2.4
123.11725	1.7
125.09589	2.4
129.07004	2.1
131.08562	16.2
133.10124	36.2
135.08034	4.4
135.11685	4.1
137.09607	2.9
141.06950	1.5
143.08575	3.0
145.06479	1.3
145.10118	12.9
147.07996	1.5
147.11665	21.7
149.09622	7.1
149.13268	2.2
151.11165	2.3
155.08466	1.7
157.10138	2.8
159.11670	10.9
161.09641	2.8
161.13257	4.2
163.11182	6.3
165.09097	1.2
165.12729	1.8
171.11664	3.2
173.13268	5.9
175.11176	2.0
177.12715	2.9
183.11674	2.2
185.13206	1.4
187.11295	2.1
187.14786	1.4
191.14218	1.4
197.13300	2.5
229.19490	4.8
233.18861	1.2
239.17923	2.5
247.20543	2.5
257.18994	9.6
275.20047	100.0
275.27713	3.5
276.20334	3.4
288.28351	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.79147	0.4
52.16370	0.4
53.03941	2.3
55.01621	0.5
55.01868	6.5
55.05507	12.8
57.03419	1.5
57.07049	1.9
63.14792	0.4
65.03926	1.8
67.05498	22.2
69.03434	2.7
69.07060	12.5
69.57284	1.2
69.57700	1.9
70.06578	0.4
71.04984	2.3
77.03902	0.8
79.05486	21.0
81.03397	1.9
81.07050	25.4
82.07381	0.4
83.04977	10.9
83.08609	4.8
85.06517	1.3
91.05474	25.8
92.05795	0.4
93.07038	24.9
95.04965	8.4
95.08598	17.4
97.06520	4.6
97.10144	1.6
103.05449	0.9
105.07024	33.7
107.04949	6.5
107.08585	15.9
109.06508	12.1
109.09452	0.6
109.10149	6.8
111.08105	2.4
115.05447	1.1
116.06262	0.6
117.07010	8.5
119.08568	17.8
121.06499	11.5
121.10133	8.6
123.08057	7.5
123.11653	2.0
125.09595	0.9
128.06245	0.6
129.07011	2.9
130.07751	1.0
131.08560	16.6
133.06505	3.4
133.10121	18.2
135.08035	5.8
135.11707	4.1
137.05925	0.5
137.09604	2.5
137.13251	0.6
137.14377	0.4
139.07538	0.6
141.06996	1.4
142.07745	0.7
143.08543	3.8
145.06491	2.1
145.10109	13.5
147.08040	3.4
147.11674	13.3
147.12590	0.4
149.09633	4.9
149.13260	3.3
151.11160	2.8
155.08531	1.9
157.10098	3.4
159.08028	2.4
159.11674	9.4
159.12993	0.5
161.09618	4.0
161.13235	2.7
163.11176	5.0
163.14801	0.9
165.12758	0.9
169.10126	1.8
171.11620	2.4
173.09625	2.9
173.13219	5.2
175.11145	3.5
175.14847	1.2
177.12758	2.2
179.14340	0.7
183.11687	2.5
185.13268	1.1
187.11134	2.4
187.14796	1.1
189.12726	1.2
189.16339	0.5
191.14282	2.8
193.12213	0.7
197.13211	1.6
199.14774	1.2
201.12762	3.7
201.16420	0.6
203.14261	0.7
205.12125	0.6
207.13802	1.5
213.16386	0.8
215.10719	0.4
215.14394	2.1
215.17966	2.5
217.15929	1.0
219.12027	0.4
219.13747	2.5
219.17416	0.6
221.15302	0.6
225.14871	0.5
229.15894	0.4
229.19458	3.1
231.17487	0.7
233.15340	0.7
233.18939	1.5
239.17979	4.2
247.20601	2.9
257.18973	13.4
257.81546	0.4
258.19290	0.6
275.20041	100.0
275.27771	3.4
276.20410	4.1
285.96490	0.5
286.93384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.69404	1.0
53.03931	2.7
54.23283	0.9
55.05509	12.5
57.03430	3.2
57.07068	1.6
65.03930	2.2
67.05499	24.3
69.03420	2.2
69.07063	11.8
70.77010	1.4
70.77321	2.2
71.04987	5.2
79.05062	1.6
79.05486	21.6
81.07051	27.5
83.04966	4.7
83.08590	4.6
85.06528	4.2
91.05473	36.8
93.07028	21.7
93.07603	1.1
95.04974	6.7
95.08595	15.7
97.06518	2.5
97.10138	1.7
99.08025	1.3
103.05455	2.5
105.07019	51.9
107.04948	4.8
107.08586	20.2
109.05937	0.9
109.06520	8.9
109.10143	7.1
111.08060	5.0
115.05467	1.5
117.07003	8.7
119.08567	38.8
121.06490	3.9
121.10129	13.1
123.08082	6.7
123.11666	2.9
128.06204	1.7
129.06958	3.3
131.08557	16.1
133.06427	1.8
133.10117	33.9
135.08031	7.4
135.11710	5.3
137.09589	4.0
141.07005	1.5
142.07745	2.0
143.08534	6.4
143.95355	1.1
144.09384	1.3
145.10101	18.9
147.07994	2.6
147.11671	19.0
149.09625	7.4
149.13263	2.3
151.11227	2.2
155.08533	2.5
156.09270	1.4
157.10075	8.9
158.10890	2.7
159.11691	17.5
161.09586	3.7
161.13254	5.2
162.40230	1.2
163.11169	3.0
169.10126	2.8
171.11652	4.1
173.13240	17.2
174.14018	1.7
175.11169	3.8
175.14784	3.2
177.12727	3.6
183.11688	6.7
185.13254	2.9
187.11098	1.4
187.14702	2.4
189.12753	1.4
191.14278	3.0
193.12407	1.3
197.13225	5.0
199.14798	5.0
201.12738	4.4
201.16426	1.2
203.14336	2.9
211.14890	1.3
213.16422	2.0
217.15816	1.6
219.17439	1.7
229.19466	2.3
233.15326	1.5
239.17941	6.2
247.20580	3.1
257.18976	13.8
275.20032	100.0
276.20319	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	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	1.5
55.01858	2.3
55.05504	11.2
57.03413	1.1
57.07052	1.2
65.03925	0.9
65.83305	0.7
67.05495	17.4
69.03403	0.9
69.07059	11.2
71.04976	1.7
71.41838	0.8
71.42182	1.1
72.87991	0.8
73.79749	0.8
75.50959	0.7
79.05051	1.4
79.05482	21.2
81.03402	1.0
81.07050	20.2
83.04956	2.1
83.08596	5.1
85.06525	1.8
88.07581	1.3
91.05468	39.7
93.06460	1.4
93.07031	19.0
95.04951	4.9
95.08593	12.0
97.06503	3.1
97.10155	2.4
101.06026	0.9
102.86889	0.9
103.05441	1.8
105.07017	61.5
107.04929	3.3
107.08586	12.1
109.06480	3.3
109.10140	6.9
111.08071	1.2
115.05433	1.3
117.06997	10.4
119.08563	34.5
121.06509	3.5
121.10120	6.1
123.08070	2.4
123.11616	0.9
125.09587	1.2
129.06982	2.9
131.08542	14.5
133.10117	31.4
135.08029	3.2
135.11685	3.3
137.09575	2.2
141.06958	1.6
143.08511	2.5
145.10103	15.6
146.97453	0.9
147.08051	0.8
147.10480	1.2
147.11664	22.7
149.09584	5.6
149.13263	1.1
155.08533	1.4
157.10101	2.8
159.11678	9.5
161.09621	1.6
161.13235	5.3
163.11208	3.5
169.10172	1.3
171.11668	3.1
173.09537	1.1
173.13263	5.9
175.11153	2.0
177.12653	1.9
179.14281	0.8
183.11633	2.6
185.13245	1.3
187.11136	1.8
189.12778	1.0
192.58719	0.8
197.13255	1.4
199.14717	0.7
201.12769	1.1
201.16464	0.9
203.14336	0.7
206.98285	0.7
211.14758	0.7
217.15778	0.9
219.13771	0.8
229.15875	1.6
229.19440	1.7
233.15341	1.2
239.17969	4.0
247.20497	1.8
257.18915	9.3
275.20026	100.0
276.20581	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
55.05499	2.3
55.93506	1.6
56.05013	1.7
56.96566	6.0
57.03429	2.1
60.04522	1.8
67.05462	1.3
68.05030	1.4
69.03413	3.5
69.07056	2.3
70.01998	1.9
70.02412	4.7
70.06587	8.1
72.08154	6.1
72.93753	2.1
73.02885	1.6
74.61721	1.3
76.02262	1.4
79.05499	1.8
81.07037	2.0
83.05030	1.5
84.04495	5.3
84.08139	9.8
85.02882	2.8
85.81618	1.3
86.09701	5.3
87.10015	2.0
90.94836	3.4
91.05485	1.6
95.06071	3.2
97.06536	6.7
98.06023	1.4
98.97578	1.8
109.02875	1.7
110.07156	2.2
111.05574	3.1
113.07113	3.5
116.07076	2.1
116.98603	2.5
119.01923	9.2
120.08082	1.7
123.05522	2.5
127.03854	1.6
129.10231	1.8
130.05008	1.4
130.06509	1.6
130.08604	2.9
131.00119	1.3
131.01901	1.6
132.95821	1.6
134.99643	2.3
137.02956	5.6
141.06610	4.2
145.03444	4.5
146.97472	2.0
149.01273	1.2
149.96126	1.4
150.96861	2.3
158.15410	1.9
161.02966	1.7
173.02966	1.9
177.06117	1.6
185.06468	1.4
187.04489	2.8
189.96628	1.4
203.03975	1.7
209.01137	1.3
215.01752	2.3
227.66933	1.6
237.02974	1.6
243.06497	1.2
257.02640	10.8
257.09500	2.1
257.15005	4.7
275.03818	10.2
275.10989	100.0
275.15952	2.9
275.19693	4.0
276.11209	1.9
289.97507	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	275.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.8
56.05034	0.6
56.96294	0.5
56.96560	10.2
58.06577	0.7
60.04497	0.7
60.05621	0.6
61.02894	0.5
67.05491	0.6
68.05026	0.5
69.03419	0.9
69.07048	1.0
70.06583	2.7
70.98105	1.9
71.04987	1.0
71.58765	0.8
72.08147	3.6
73.02888	0.5
73.08489	0.7
74.06071	0.6
79.05473	0.7
81.03411	0.6
81.07050	1.0
82.06531	0.6
83.04966	0.7
84.04490	1.0
84.08134	5.6
85.02898	1.6
86.09704	0.6
88.99137	1.8
89.04388	0.5
89.95776	0.4
91.05477	0.8
97.02901	0.5
98.97571	1.7
100.11251	0.5
101.00867	1.5
102.05526	3.4
103.02396	0.5
103.46130	0.5
105.07023	0.6
107.00214	0.5
108.04472	0.6
109.10211	0.5
111.05534	0.8
116.07061	0.7
116.98602	1.8
119.01915	9.4
119.02857	0.7
123.05542	0.9
125.07117	2.6
127.03915	1.7
128.98505	0.6
129.10226	1.9
130.08585	0.5
131.00143	1.0
131.01924	2.2
133.03468	0.9
133.10094	0.6
134.99652	1.4
135.04999	0.5
136.07590	0.6
137.02942	3.9
141.06599	1.1
143.01888	1.9
145.03462	2.7
146.99646	1.0
149.01201	1.2
150.33028	0.5
151.03955	0.5
155.01869	1.1
159.05003	2.1
161.01344	0.4
161.01752	0.5
161.02954	4.0
163.04501	1.2
165.00693	2.7
172.15289	0.5
172.97595	1.1
173.02928	1.4
173.06540	0.6
177.00687	0.7
177.06084	1.3
185.02899	0.5
185.06604	1.1
187.04530	0.9
187.08008	0.5
190.98636	7.4
201.00714	1.2
203.04010	1.4
203.07533	0.9
205.00058	0.9
208.99590	2.4
215.05894	0.5
218.98126	1.4
221.05162	1.5
223.01286	0.9
231.03529	1.1
232.99562	2.5
236.99089	1.0
251.00607	2.2
257.14987	1.5
275.10995	100.0
276.11267	1.0
293.03448	0.6
293.10913	0.8
294.88876	0.5
296.56628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	93.0
60.77436	2.1
69.03407	5.2
69.07072	2.8
69.76582	13.7
70.06577	13.9
70.98116	24.6
72.08138	10.7
73.02901	2.9
74.97643	2.6
79.51686	2.9
84.04499	4.8
84.08144	23.1
85.02907	7.1
86.09700	6.6
87.10042	2.5
88.99159	15.1
90.94825	2.5
95.06089	2.3
97.02901	4.2
98.97565	16.9
101.00880	4.5
102.05524	5.2
107.00185	6.2
108.04483	4.4
109.02879	2.8
110.07146	3.1
110.97549	4.3
112.11157	2.7
112.99191	2.8
116.07106	4.1
116.98616	14.9
119.01907	37.4
125.07122	28.9
125.16792	2.2
127.03901	8.3
128.97797	2.7
128.98570	12.5
129.10274	5.5
131.00166	5.5
131.01875	5.7
133.03455	4.4
134.99655	11.7
137.02927	16.1
145.03444	18.1
146.02689	4.0
146.99643	21.5
147.01329	2.9
149.01227	9.2
159.05020	10.8
161.02888	4.4
163.04503	3.6
165.00703	20.8
167.07259	2.3
169.03407	3.4
172.97574	17.4
173.02925	3.9
174.99142	7.0
177.06061	8.5
183.01784	4.4
184.97203	2.7
185.02910	4.3
187.04507	8.2
188.97038	3.2
189.02440	5.4
190.98625	100.0
193.00218	17.9
203.04050	8.7
205.00177	9.4
205.05649	3.2
207.03496	3.8
208.99677	34.1
213.02386	3.5
214.96532	2.6
214.98575	5.2
218.98138	20.6
219.01639	3.3
221.05040	4.8
223.01270	7.3
231.03522	6.7
232.99669	39.4
236.99150	7.9
237.02744	2.4
241.38010	2.8
251.00696	30.2
257.08789	2.8
257.11243	4.6
257.15018	3.8
269.01947	2.9
274.97537	4.2
275.06094	4.1
275.10669	15.3
292.98642	2.6
293.03696	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	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.70308	3.7
52.20491	4.7
55.05512	16.7
57.07074	13.8
67.05507	28.7
69.07072	31.8
70.92283	13.7
72.98509	4.2
79.05486	15.1
79.70754	4.1
81.07056	83.7
83.08618	14.4
91.05478	8.8
93.07020	34.5
95.08603	85.6
97.10174	8.4
105.07005	25.1
107.08584	56.0
109.10152	62.4
117.23006	4.1
119.08575	22.6
121.10133	53.2
123.11700	43.0
133.10118	20.2
135.11688	34.7
137.13268	17.2
147.11678	19.4
149.13271	48.3
151.14764	7.0
161.13228	35.2
163.14825	27.3
165.16446	6.0
175.14836	12.8
177.16393	15.4
189.16322	24.3
191.17970	12.3
203.17960	18.0
217.19551	30.3
231.20963	5.5
273.25732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03927	3.1
55.05520	10.7
56.96552	7.0
57.07075	4.9
59.04980	3.9
59.75790	2.0
65.03902	2.1
67.05503	17.5
68.94685	2.0
69.03409	3.9
69.07071	13.0
70.36108	7.6
71.04980	3.5
79.05484	13.7
80.35993	1.9
81.07051	20.0
83.04962	3.4
83.08600	4.0
84.08121	2.1
85.06523	3.8
91.05476	26.3
92.13343	2.1
93.07053	19.6
95.04946	9.4
95.08603	22.6
97.06510	5.7
97.10165	2.7
98.20742	2.1
98.97553	7.2
105.07024	38.4
107.08595	22.8
109.06508	19.0
109.10151	8.7
111.04415	2.7
111.08054	4.5
115.05453	2.1
116.06277	2.2
116.90240	2.0
116.98592	8.9
117.07047	11.4
119.08586	34.2
121.06524	4.3
121.10130	19.4
123.08067	4.6
123.11686	4.7
128.06209	10.3
128.96313	2.5
129.06990	13.3
130.07748	2.8
131.08563	17.0
133.06496	13.5
133.10136	21.4
134.99631	8.5
135.08057	10.3
135.11700	6.2
137.09589	4.3
141.06979	7.2
142.07756	12.0
143.08540	34.0
144.09322	3.4
145.06445	3.2
145.10120	33.1
146.97426	19.6
147.08017	4.5
147.11674	15.6
149.09593	6.2
149.13219	2.8
151.07571	2.7
153.00670	3.1
153.07005	4.3
154.07755	4.1
155.08524	17.6
156.09331	21.5
157.10126	35.6
158.10910	2.8
159.08052	5.6
159.11659	13.7
161.09621	7.8
161.13263	3.7
165.07016	3.6
166.07774	3.1
167.08580	8.8
167.10756	2.6
168.09288	2.6
169.10127	29.6
169.99023	15.3
170.10866	6.6
171.11682	34.9
173.09630	18.7
173.13243	14.2
174.10327	2.9
175.11177	13.6
179.08546	5.9
179.10883	2.3
180.09297	3.5
181.06474	2.5
181.10143	13.9
181.11522	2.0
182.10895	14.7
183.11774	13.9
184.12350	2.0
185.09608	7.0
185.13278	12.1
186.14067	2.6
187.11156	4.2
187.14796	6.4
189.12756	17.1
189.16536	2.2
193.10086	3.4
194.10913	2.7
195.11676	11.0
196.12463	9.9
197.13258	51.3
198.14009	4.5
199.11159	18.0
207.11671	5.8
208.12500	2.2
209.13235	2.6
211.11128	2.2
211.14810	35.7
212.15584	11.3
213.12791	5.7
213.16322	35.6
214.13550	2.6
215.14243	14.5
217.12225	4.9
222.14041	3.6
225.12769	8.5
227.14311	9.4
227.17819	2.9
229.15913	10.4
231.17451	7.2
237.16405	11.9
240.15050	5.7
247.96423	5.7
248.82124	2.1
255.17429	71.0
259.47235	5.1
273.03690	2.7
273.07391	3.5
273.11609	2.9
273.15411	3.6
273.18488	100.0
273.25677	13.5
289.91818	8.0
290.94699	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1844
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.24351	0.9
55.01857	3.0
55.05301	0.9
55.05506	9.6
56.96558	2.3
57.03436	1.9
65.03926	1.2
67.05493	16.4
69.03419	1.9
69.07055	8.2
71.04987	1.6
76.63578	1.0
77.36040	1.1
79.05488	13.5
81.03407	2.3
81.07052	13.0
83.04983	1.5
83.06960	0.9
83.08596	4.3
83.20703	0.9
85.06495	1.2
88.13630	1.0
89.04242	4.1
91.05466	23.3
93.07027	10.0
95.04945	3.8
95.08586	9.9
97.06538	2.0
97.10162	2.5
98.97565	3.0
103.05446	1.3
104.13551	1.0
105.03390	1.0
105.07010	20.3
107.04929	4.6
107.08572	5.5
109.06511	2.1
109.10107	3.9
115.05430	2.2
116.06214	3.2
116.98604	4.0
117.07000	15.1
119.04944	1.3
119.08560	14.7
121.06473	2.9
121.10127	3.2
123.08037	3.0
123.11731	1.3
125.00008	1.2
125.09624	1.2
128.06194	2.7
128.70445	0.9
129.06996	9.9
130.07755	4.1
131.08554	39.1
133.06465	4.2
133.10120	7.3
134.99622	8.3
135.08044	4.5
136.44208	1.1
137.09573	1.3
141.06918	2.1
142.07774	2.5
143.08557	10.3
145.06468	2.9
145.10114	28.5
146.97430	9.3
147.08049	11.2
147.11678	3.7
149.09612	1.3
151.11090	1.1
153.00710	1.8
155.08527	1.8
157.06424	1.1
157.10121	10.2
158.01292	1.2
159.07982	5.7
159.11690	8.2
161.09598	10.0
163.11168	1.3
165.06917	1.2
169.10097	2.2
169.99051	6.5
170.10826	1.0
171.11649	5.3
173.09610	3.6
173.13130	1.4
175.11160	6.6
177.09042	1.6
178.77316	1.0
181.10080	1.2
183.11653	1.3
185.09554	1.8
185.13260	2.6
187.11198	1.6
187.14934	1.3
189.12686	1.7
190.25446	1.0
195.11674	2.2
199.11192	3.5
209.61653	1.0
211.14961	1.0
213.12654	1.6
213.16228	1.7
215.14145	1.2
217.12117	2.2
217.15773	2.0
227.17963	3.9
231.17380	1.5
237.16374	4.1
245.18980	2.2
255.17397	11.4
259.47321	3.1
273.18472	100.0
273.29770	2.6
274.18698	1.9
289.91760	2.2
290.94702	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	273.1846
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05500	4.7
59.04987	2.3
67.05486	6.8
68.01089	1.7
69.07069	2.5
70.11929	7.6
70.12273	1.8
71.04979	5.6
79.05489	2.2
81.07047	6.8
83.04962	4.1
83.08636	1.9
84.62179	1.6
85.06515	4.1
88.63943	1.9
91.05463	7.8
93.07030	8.1
95.04968	22.9
95.08582	7.2
97.06518	2.3
98.62848	2.0
98.97611	2.1
105.07018	17.3
107.08565	11.0
109.06508	28.7
109.10132	11.3
111.08094	3.8
116.46809	1.9
116.98658	2.1
117.07022	6.6
119.08574	25.4
121.06487	3.0
121.10139	6.9
123.08063	26.6
128.06226	3.1
129.06992	3.7
130.07784	3.6
131.08557	16.4
133.10115	14.5
134.99692	2.0
135.08046	8.0
135.11670	2.5
137.09610	7.6
141.06932	4.1
142.07750	8.1
143.08571	11.5
144.09377	2.3
145.10114	37.9
146.97443	3.5
147.08090	4.7
147.11658	13.7
149.09637	2.2
151.07541	4.5
151.11203	5.8
155.08546	4.9
156.09271	9.7
157.10135	23.6
158.10873	6.8
159.08063	6.2
159.11642	10.0
159.86311	2.0
161.09584	6.1
161.13269	4.9
163.11124	4.2
167.08514	3.3
169.10130	6.5
170.10828	3.8
171.08026	2.2
171.11668	23.2
173.09633	10.0
173.13243	29.4
174.10448	3.4
175.11169	14.0
179.10661	2.4
180.09430	1.8
181.10132	3.7
182.10876	4.9
183.11655	3.3
185.09578	2.6
185.13213	9.6
186.10498	1.9
187.11174	14.5
187.14813	8.1
189.12740	24.2
195.11752	4.4
196.12537	2.4
197.13181	16.8
199.11183	13.9
200.11932	2.6
201.12756	4.6
203.14270	4.2
207.11690	3.2
211.11160	1.9
211.14812	3.1
213.12756	6.8
213.16362	12.4
215.14305	39.4
217.12222	10.8
222.13972	2.0
225.12746	4.4
229.15999	3.3
231.17400	17.4
237.16307	5.2
240.15201	1.9
243.13792	2.9
255.17410	36.2
273.18472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.22387	1.2
53.03915	1.7
55.01865	2.0
55.05516	7.4
56.96557	1.8
57.07056	3.3
65.03952	2.2
67.05502	11.6
69.03412	2.8
69.07057	9.1
70.06550	1.7
71.04977	3.1
71.28052	2.8
72.48455	1.5
79.05486	13.0
81.07048	15.3
83.04944	1.8
83.08601	4.0
85.02914	1.7
85.06544	2.7
91.05473	20.4
93.07044	16.4
95.04949	6.7
95.08611	9.9
97.06537	4.0
98.97556	3.2
103.05477	1.7
105.07027	27.8
107.04962	1.9
107.08593	18.8
109.05791	1.6
109.06526	25.4
109.10156	6.3
111.08073	3.5
115.05457	4.3
116.98608	3.5
117.07000	9.7
119.04886	1.7
119.08573	27.1
121.06474	2.0
121.10122	13.7
123.08053	4.0
128.06200	7.4
129.06976	12.5
130.07765	4.7
131.08562	20.9
133.06493	14.0
133.10117	17.0
134.99602	3.4
135.08040	11.0
135.11682	2.2
137.09604	2.4
141.06966	6.9
142.07741	12.2
143.08575	23.9
144.09332	5.4
145.06483	3.1
145.10109	29.3
146.10904	1.8
146.97432	5.7
147.04414	2.7
147.08060	6.4
147.11670	14.4
149.09596	7.4
153.06938	2.0
154.07800	1.7
155.08551	16.4
156.09329	18.8
157.10130	34.2
158.10944	2.0
159.08054	5.7
159.11691	12.6
161.09601	7.6
161.13258	2.4
163.14662	1.9
165.06993	4.7
166.07719	2.0
167.08551	6.6
167.10666	1.8
168.09320	3.2
169.06543	1.7
169.10114	21.9
169.99062	3.9
170.10921	6.2
171.08072	1.6
171.11685	32.9
172.12392	4.3
173.09622	20.0
173.13266	9.8
174.10312	3.1
175.11198	10.8
175.14755	1.6
179.08551	1.8
180.09308	3.8
181.10117	10.7
182.10901	13.0
183.11682	9.8
184.08868	1.8
184.12471	3.0
185.09636	3.6
185.13205	10.0
186.14098	2.2
187.11162	5.2
187.14844	4.1
189.12717	18.7
193.10091	4.3
194.10925	2.5
195.11696	9.0
196.12511	6.7
197.09639	2.4
197.13246	47.1
198.13956	4.9
199.11188	20.1
199.14807	1.9
205.51923	1.6
207.11646	5.6
208.12471	1.7
209.13219	4.4
211.14812	19.2
212.11894	1.5
212.15575	12.1
213.12761	6.4
213.16370	29.1
214.13554	2.7
215.14311	13.5
217.12262	4.7
222.13942	5.0
225.12805	6.6
226.13554	3.1
227.14323	12.6
227.17978	4.1
229.15855	11.1
230.16617	2.9
231.17455	4.9
237.13802	1.4
237.16299	8.1
240.15083	8.6
255.17426	59.4
262.62106	1.7
273.07578	2.9
273.15384	4.3
273.18478	100.0
273.21597	3.8
273.25809	2.7
289.91962	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	273.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01867	6.2
55.05505	10.7
56.96561	11.9
57.03431	3.9
67.05504	17.2
68.99762	3.1
69.03436	12.0
69.07069	15.2
70.06615	2.2
70.07243	4.4
70.07659	6.7
71.04993	21.1
72.08121	2.5
72.93807	2.5
77.03938	2.2
79.05057	3.1
79.05493	53.1
80.06261	4.3
81.03407	3.6
81.07048	27.2
83.04979	10.1
83.08611	6.1
84.08134	5.1
85.02901	6.2
89.03910	6.5
91.05481	16.5
93.07050	16.7
95.04958	14.4
95.08606	15.8
97.02892	2.8
97.06527	56.8
97.07141	4.4
97.10224	2.9
98.21381	2.6
98.97584	5.6
103.05490	4.0
105.03394	3.2
105.07019	19.9
107.04926	2.1
107.08595	12.2
109.06484	2.4
109.10141	11.5
111.04462	6.4
111.08082	10.5
112.08855	7.0
115.05482	4.3
116.98616	8.5
117.03470	2.6
117.07028	10.6
119.04943	5.1
119.08558	17.3
121.06493	2.2
121.10124	10.2
121.10913	2.2
123.04497	2.9
123.11704	4.3
128.06213	5.1
129.07021	6.6
130.04129	3.3
131.04929	5.9
131.08566	9.3
133.02858	15.4
133.10106	11.2
134.03639	3.2
134.99657	8.0
135.04425	4.3
135.11682	5.4
137.13165	2.5
141.06958	5.2
142.07784	2.7
143.08566	5.9
145.02829	2.4
145.06502	5.8
145.10139	16.5
146.97472	11.4
147.04431	14.4
147.08009	4.0
147.11670	8.4
149.01114	2.3
149.05986	4.4
149.09596	3.5
149.13258	3.7
151.03949	5.7
151.11229	3.4
152.06203	6.6
153.01825	3.4
153.06999	4.9
155.08604	4.2
157.06509	8.7
157.10123	10.0
158.07144	2.3
159.04437	5.6
159.08086	2.5
159.11739	5.6
160.03452	2.2
161.02385	4.6
161.06020	3.4
161.09665	3.5
161.13239	4.2
162.01678	3.2
162.03125	23.6
163.03902	24.7
163.07561	2.8
167.08594	8.1
169.06430	4.0
169.99055	7.4
171.04468	3.1
171.08046	2.3
171.11665	8.0
173.02333	100.0
173.09731	2.1
173.13316	4.5
173.28741	2.3
175.03963	5.1
175.14877	2.8
176.04776	2.7
177.05447	35.0
181.06487	7.8
183.08229	3.3
184.99200	2.4
185.05977	7.2
185.09610	3.4
185.13275	4.1
187.03920	10.5
187.14844	6.9
189.05405	12.9
195.08038	11.4
197.05977	5.9
197.13242	2.5
198.06796	2.4
199.03860	9.7
199.07507	5.7
199.14767	3.1
201.05492	5.3
213.05466	5.0
213.09161	9.3
213.16373	4.0
215.07021	54.6
217.04922	2.9
217.19594	3.6
223.07535	7.2
227.07054	4.2
241.08585	54.2
247.96545	5.0
250.03355	3.3
255.17401	7.0
255.21272	2.3
259.09753	6.4
261.98422	2.3
273.04837	3.5
273.07675	16.4
273.11246	62.0
273.14633	15.7
273.18527	23.2
273.22195	8.9
273.25842	5.8
289.91711	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	273.112
Annotation	2,4-Dihydroxy-6-phenethyl-benzoic acid methyl ester
Peak:m/z	Relative Intensity
53.03938	6.1
55.01854	5.0
55.05507	7.6
56.96564	7.3
57.03416	3.3
58.25558	1.1
65.03925	2.9
66.92893	1.0
67.05502	12.7
69.03423	8.2
69.07064	10.6
70.06567	1.4
71.04647	1.4
71.04991	18.4
72.08135	1.7
72.93801	1.1
73.06551	1.1
76.14037	1.2
77.03925	2.3
79.05490	59.9
80.06253	5.0
81.03417	2.3
81.06592	1.7
81.07053	20.3
83.04949	5.0
83.08592	2.1
84.08109	3.8
84.96017	1.2
85.02889	2.2
85.06519	1.7
86.09705	1.5
89.03890	2.8
91.05487	10.4
93.07046	9.9
95.04420	1.6
95.04967	15.8
95.08601	9.1
97.02867	2.4
97.06529	42.8
98.97556	3.2
99.04443	1.2
102.04654	1.6
103.05431	2.2
105.03363	4.9
105.04484	2.7
105.07032	9.7
107.04908	1.4
107.08598	8.3
109.06537	1.3
109.10123	5.1
111.04407	5.1
111.08081	16.8
112.08835	8.2
115.05445	6.4
116.98595	4.2
117.03355	3.0
117.07003	5.9
119.04901	2.5
119.08566	8.8
121.06506	2.7
121.10090	5.1
123.08051	1.5
123.11659	2.1
128.06160	4.8
129.06975	6.8
131.04904	3.9
131.08507	3.5
133.02835	19.7
133.06532	1.9
133.10144	5.3
134.03694	1.6
134.99599	4.0
135.04382	3.7
135.07973	1.4
135.11708	1.6
137.06010	1.1
137.09511	1.3
139.03879	1.9
141.06929	3.6
142.07744	2.9
143.04884	1.4
143.08548	3.4
144.05682	1.5
145.02797	5.1
145.06435	4.1
145.10100	4.8
146.97385	4.3
147.04404	13.3
147.11642	3.3
148.05113	1.8
149.05943	3.3
149.13206	3.2
151.03879	5.2
151.07504	1.5
152.06198	6.9
153.01822	2.9
153.06932	3.3
157.03838	1.4
157.06451	4.9
157.10077	4.8
159.04443	6.7
159.08049	2.5
159.11646	4.5
161.01155	2.9
161.02289	8.3
161.05948	1.6
161.09564	2.0
161.13263	2.8
162.03134	18.5
163.03911	27.9
163.07570	1.3
163.14893	2.4
165.06952	3.6
167.08569	8.6
169.06416	2.2
169.98938	3.4
170.07173	1.6
171.04367	3.5
171.08099	1.8
171.11639	4.1
173.02339	100.0
173.13222	2.2
174.02798	1.1
175.03828	3.3
175.11166	2.4
175.14786	1.4
177.00571	1.4
177.04036	1.9
177.05472	26.8
177.06941	1.3
181.06438	5.8
182.07077	1.9
183.04582	2.2
184.05124	1.9
185.05994	8.5
185.09592	2.8
185.13210	2.0
187.03903	15.7
187.14751	4.1
189.05479	8.4
195.08101	12.9
197.05885	4.9
198.06737	2.8
199.03882	11.3
199.07486	5.1
201.05431	6.1
207.06334	1.3
212.04510	2.6
213.05530	7.5
213.09129	11.8
213.16281	3.0
215.07016	47.1
217.19545	2.3
223.07629	7.3
241.08592	71.3
242.09036	1.8
243.10097	1.4
245.08069	2.6
255.11177	2.0
255.17325	2.2
255.20918	2.2
259.09549	3.5
259.47144	1.6
268.04254	2.6
273.04236	3.0
273.07620	7.0
273.11139	49.2
273.14606	2.3
273.15527	2.0
273.18454	10.3
273.22107	7.1
273.25687	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	272.1128
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
53.03949	0.7
55.01859	0.7
55.05492	0.6
56.96558	8.6
57.03424	2.5
60.05648	0.9
61.02935	3.5
65.03931	4.2
67.05475	0.7
69.03429	7.0
69.90643	2.0
69.91051	1.6
70.06581	6.8
71.04985	1.0
72.08141	1.8
73.02916	3.0
73.61722	0.5
80.04997	1.2
81.03401	2.2
81.07034	0.9
84.04520	0.7
84.08121	2.2
84.95998	0.8
85.02414	1.1
85.02892	12.1
86.09708	0.8
87.04458	1.5
92.04996	61.2
93.05769	4.9
94.06561	8.6
95.06069	1.8
97.02879	6.9
98.06054	0.6
98.21516	0.7
98.97570	4.2
99.04404	1.5
104.01270	0.8
109.02863	1.6
110.06031	100.0
110.07118	9.6
110.97588	0.6
112.08743	1.5
112.99146	2.0
116.07085	2.0
116.98623	3.3
119.01809	1.2
125.03597	1.1
127.03922	3.3
128.98566	1.5
131.00146	3.1
131.01823	0.8
133.03374	1.3
133.59015	0.6
134.99658	1.2
137.36848	0.6
138.05435	1.5
140.07103	1.2
143.00117	2.9
145.03586	0.7
145.04927	0.8
146.99585	0.9
149.01244	1.6
149.02895	0.8
152.07069	2.8
153.05760	2.0
153.55925	0.8
156.07660	1.1
158.99565	1.4
161.01213	2.8
161.02887	0.9
161.06606	1.1
162.03445	0.7
162.06247	1.0
162.99162	1.0
163.03009	1.1
163.04399	4.8
169.04411	2.3
177.00711	1.2
178.04919	9.3
178.55099	1.4
181.03835	1.2
189.00633	1.1
191.03889	1.8
193.03760	0.7
200.04385	1.0
208.14484	1.3
219.01755	1.0
223.01257	1.3
226.15373	0.8
237.02995	1.1
248.99139	1.4
254.10300	2.3
254.14799	0.8
255.13524	0.7
272.11292	18.4
272.15759	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	272.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01875	1.6
55.05500	1.7
56.05038	1.2
56.96563	66.0
61.02953	1.3
67.05489	2.0
69.03442	2.4
70.06590	11.3
70.88873	3.1
71.95264	1.2
72.08148	6.0
74.97610	1.3
79.05489	2.1
81.03416	2.1
84.04507	3.0
84.08138	6.4
84.96024	4.4
85.02885	4.9
86.09692	2.6
87.04458	1.0
88.96857	0.9
91.05489	5.6
93.07045	1.3
97.02895	2.2
98.97582	8.4
100.07594	1.1
100.57169	0.8
105.07055	1.0
107.04927	1.1
110.07140	2.1
116.07095	1.2
116.98653	6.4
119.04946	7.0
124.99103	10.5
127.00635	1.4
127.03914	2.0
128.98624	1.0
129.10208	2.2
130.06577	1.5
134.99654	5.4
141.02322	1.3
143.00154	50.4
145.01735	2.0
146.99687	1.6
147.04416	19.4
148.04701	1.9
149.01251	2.2
152.98634	1.7
156.10208	1.8
157.01736	3.8
157.07619	1.3
158.99678	1.1
159.03258	4.7
161.01221	100.0
162.99152	2.1
166.01906	1.2
169.01805	1.2
170.99658	6.8
174.99136	1.9
175.02795	2.0
177.00716	1.9
177.04431	1.9
179.02271	16.7
184.02827	3.7
185.01224	17.8
187.02773	3.1
188.99033	1.3
189.00706	16.8
200.03505	1.0
201.12331	0.9
203.02269	10.1
207.01830	5.1
213.00795	3.7
221.03371	1.4
231.01711	6.9
237.00732	5.2
249.02818	47.1
254.03391	1.1
254.15080	1.3
254.17528	3.3
255.01790	2.6
261.73334	0.9
267.00577	3.0
267.03867	70.6
268.04205	1.0
272.04297	5.5
272.10696	1.9
272.18677	11.9
285.04916	37.7
290.05371	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	271.1901
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.00290	1.0
53.03928	2.5
55.01866	4.6
55.05506	30.0
56.96552	3.4
57.03433	31.4
57.07059	2.7
60.71376	0.9
65.03923	4.0
67.05498	54.1
69.03414	5.0
69.07059	30.6
69.27496	1.5
69.27891	10.1
70.03728	0.9
70.06559	2.1
70.29309	0.9
71.04987	26.4
71.08610	0.9
73.02887	1.4
73.06541	1.4
77.03880	1.0
79.05054	1.9
79.05485	27.8
81.03396	2.0
81.07050	91.2
83.04954	6.5
83.08125	1.7
83.08609	21.3
84.08171	1.0
85.02887	2.0
85.06071	1.2
85.06541	18.0
86.09687	1.2
91.05471	26.8
93.06464	2.0
93.07036	26.4
95.04964	5.2
95.08598	100.0
96.76300	1.0
97.02871	2.8
97.06518	23.6
97.10157	7.8
98.97540	2.1
99.04430	1.5
99.08097	7.4
101.05969	1.8
105.07023	27.9
107.08588	12.0
109.06495	4.1
109.10151	24.7
111.08053	5.8
111.11650	1.0
113.05954	1.2
113.09621	1.3
115.03902	1.4
116.98612	1.4
119.04964	1.2
119.08572	29.7
121.02842	5.6
121.06481	1.4
121.10143	6.7
123.08057	7.9
123.11672	2.5
125.09615	2.0
127.07509	2.9
128.06104	1.2
131.08522	1.7
133.10114	27.5
135.11671	10.7
137.09628	6.6
137.13228	10.4
141.07065	1.0
141.09183	1.6
143.00191	1.5
143.08571	1.3
145.06572	1.3
145.10091	1.5
146.49065	0.9
146.99649	1.3
147.11685	1.1
149.13194	3.4
151.11163	3.9
153.06892	1.8
155.08539	1.7
159.11664	1.4
161.01230	2.2
161.13239	50.6
165.06989	3.6
167.14357	1.8
171.08002	1.1
179.14302	25.1
181.06505	1.7
183.08058	3.6
183.11627	1.0
196.05217	1.8
197.05966	1.4
197.15341	7.5
202.51860	0.9
204.24873	0.9
211.07542	4.4
219.01648	1.1
221.05736	1.1
237.00737	2.2
239.06837	1.0
244.00877	1.0
249.02937	1.7
253.18060	2.8
271.06177	6.2
271.09369	7.4
271.19034	69.4
271.23999	2.8
272.06427	1.1
272.09808	1.0
272.19357	1.3
287.05392	1.9
288.05832	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	271.144
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
55.05489	1.1
56.04982	0.8
56.96546	1.3
57.25591	0.8
59.52442	0.7
67.05482	2.7
69.07068	1.2
71.60075	0.9
74.03246	0.8
79.05469	2.5
81.05756	1.1
81.07035	2.6
89.36063	0.7
91.05458	2.6
93.07012	1.9
94.06559	1.1
95.04935	1.0
95.08595	1.8
96.08111	3.8
98.93247	0.7
105.06982	1.6
106.06538	2.3
107.08588	1.6
108.08100	12.5
109.10114	1.3
110.09653	0.9
111.21990	0.7
117.06982	1.2
118.06482	1.3
119.08562	1.5
120.08058	1.3
122.09654	1.9
123.11688	1.0
129.06975	1.7
131.07353	0.8
131.08525	1.3
133.10115	2.1
134.06004	1.3
134.99635	1.1
136.07628	1.6
137.09534	0.8
141.07002	0.9
143.08548	1.7
144.08066	1.2
145.10106	0.9
146.05945	0.8
146.09445	0.9
152.67940	0.8
155.08661	0.8
156.08102	1.2
156.09299	1.4
157.08905	0.8
157.10037	1.7
158.09595	1.0
159.08018	3.1
165.06956	0.9
166.07681	1.0
168.08090	5.8
169.08867	5.4
170.09618	2.5
171.09138	1.5
172.07547	1.7
174.09158	2.0
181.10164	2.1
182.06058	0.8
182.09616	3.3
183.10420	10.1
183.11812	1.8
184.06227	1.2
184.07672	1.2
184.09763	0.8
185.10666	2.4
186.09140	1.7
186.11504	2.5
187.81033	0.8
196.07567	7.0
197.08328	10.3
198.09123	2.6
198.12767	9.0
199.08646	9.7
199.12323	1.2
200.13141	1.0
208.11324	1.0
210.09161	3.5
210.11308	1.0
211.07838	1.2
211.09918	20.8
211.12070	1.4
212.09357	1.5
213.10184	18.0
214.10925	6.2
215.11880	0.7
215.15463	5.5
225.13971	1.4
226.12251	43.2
227.08287	1.6
227.11769	26.4
228.12538	33.5
239.11757	1.6
240.08871	1.3
241.09734	2.3
241.13278	1.5
242.10411	2.4
243.14922	27.3
253.13354	5.8
253.15837	1.5
254.11784	2.9
255.11238	27.1
256.12039	30.3
269.12790	1.8
271.06290	4.2
271.14386	100.0
272.14899	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	271.1438
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
55.05495	4.7
56.96555	2.5
57.03414	2.5
57.07052	2.2
63.48599	1.3
67.05505	8.2
69.07047	4.5
69.42851	14.1
70.06586	1.6
79.05484	7.6
80.05037	1.7
81.05769	3.0
81.07046	7.9
83.04953	3.0
85.61414	1.5
91.05454	6.1
93.07026	4.2
94.06532	1.5
95.04966	1.8
95.08605	4.1
96.08124	5.1
105.07005	4.7
106.06517	3.8
107.08587	4.5
108.08112	14.1
109.10148	6.1
116.98606	1.7
117.06989	2.2
119.04904	2.1
119.08588	4.5
120.08119	2.0
121.10150	1.7
122.09662	3.2
123.11698	1.5
128.06143	1.9
129.06964	1.7
131.08534	1.4
133.10114	4.9
134.06004	3.2
134.99675	3.7
135.07957	1.5
135.11693	1.7
136.07553	2.4
138.99767	1.5
142.07744	1.9
143.08504	2.1
144.08035	1.9
145.06488	1.5
145.10129	2.6
147.11609	1.9
148.07523	2.1
151.11186	1.6
152.68776	1.3
152.96443	1.8
153.00664	1.4
153.06996	3.9
155.08577	2.1
156.08179	1.7
157.10106	3.8
159.08044	2.9
159.11697	2.4
161.13272	2.8
163.14838	1.7
165.07037	2.5
168.08090	6.4
169.08875	6.7
171.98610	1.4
172.07582	1.9
173.13260	2.3
174.09148	3.9
181.10101	2.1
182.06007	2.0
182.09650	2.2
183.10388	8.8
183.11797	1.9
185.10709	2.5
186.09105	2.0
186.11552	2.8
187.11050	1.9
195.11464	1.7
196.07536	12.2
197.08348	19.1
198.09160	5.2
198.12772	11.1
199.08646	12.8
199.12370	1.6
210.09109	6.3
210.11206	1.3
211.09898	32.5
212.09627	1.4
213.10222	23.8
214.10970	7.8
215.15430	4.5
225.13795	1.9
226.12250	74.7
227.08252	2.6
227.11784	28.0
228.12541	40.3
229.12675	1.5
241.09807	2.4
242.10611	2.9
243.14920	43.5
253.13333	10.4
254.11708	4.4
255.11308	4.9
256.12112	11.4
271.06195	8.1
271.09665	3.0
271.14401	100.0
271.16824	5.2
271.24158	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03933	3.6
55.01855	4.5
55.05258	2.4
55.05502	22.5
56.07770	1.7
56.96556	3.4
57.03147	2.0
57.03433	35.2
57.07067	6.3
67.05499	87.6
69.03421	2.0
69.07071	31.0
71.04987	9.5
71.19453	4.2
79.05487	48.7
81.03413	3.0
81.07048	100.0
83.04987	10.3
83.08609	22.8
85.06530	7.0
85.58408	2.0
91.05470	24.1
93.07037	78.6
95.04958	8.8
95.08586	29.1
97.06535	16.2
99.08087	5.7
105.07000	9.0
107.08587	39.6
109.06501	5.6
109.10156	7.2
111.08060	9.6
117.07003	8.8
119.08565	4.4
121.06499	3.1
121.10120	23.4
123.11700	4.0
126.77525	1.9
131.08513	11.9
133.10127	15.2
135.08011	3.2
135.11644	11.7
136.06071	2.4
137.06483	2.1
143.08548	3.7
145.10144	2.1
149.13246	44.4
149.14369	4.0
151.11195	2.6
157.10187	2.7
159.11673	21.7
177.12715	9.1
179.49567	1.9
195.13719	12.7
255.60353	2.1
258.45300	2.1
263.42151	1.9
269.17401	36.3
269.22183	3.1
269.72046	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	270.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56784	0.3
55.01871	2.3
55.05526	0.5
56.05038	1.2
56.96563	3.3
57.03434	3.1
59.05006	0.4
60.04525	1.8
61.02922	1.2
67.05502	0.6
68.05029	0.9
69.03425	2.3
69.07059	2.4
70.06586	14.5
70.69335	0.7
71.01358	1.0
71.04998	1.4
72.08149	1.3
73.02910	2.4
73.06578	0.4
79.04228	0.5
79.05513	0.5
80.04993	0.5
81.03397	0.3
81.04558	0.8
82.05322	0.8
82.06572	0.3
83.06096	4.0
84.04512	0.9
84.06447	0.5
84.08135	5.0
85.02899	3.3
86.06068	0.5
86.09718	1.2
87.04466	0.6
90.94814	0.3
91.05476	1.3
92.05007	0.3
93.04514	2.2
94.04829	0.5
94.06566	0.4
95.06084	6.4
96.04507	1.7
97.02897	1.5
97.06506	1.4
98.05978	0.6
98.97574	1.6
102.05529	0.3
103.03943	0.5
107.06094	1.2
108.04501	0.8
108.08116	2.4
109.02866	0.5
109.06426	0.4
110.07156	26.2
111.05591	0.6
111.06844	0.9
111.07506	5.3
112.08729	1.5
113.96420	0.4
115.02457	1.0
115.03922	1.4
115.08655	0.3
116.07077	0.9
116.98591	1.6
117.96800	0.3
119.01929	1.8
119.04969	0.6
120.08091	0.4
121.07606	0.6
122.07158	0.4
123.04411	0.7
124.03971	0.6
124.07600	0.4
127.08682	3.2
128.98550	0.4
129.10260	0.7
131.01907	0.6
133.03439	1.8
133.04971	2.0
133.07619	1.3
134.07121	0.3
134.99652	1.3
136.06160	0.6
136.07574	2.7
137.02962	0.5
137.07944	1.2
138.05493	100.0
138.12764	0.4
139.05876	1.4
140.08098	0.3
140.82913	0.3
142.96420	0.3
147.04291	0.5
148.08742	0.5
149.01193	0.4
150.10245	0.5
151.12405	0.3
155.08150	1.9
156.06743	0.3
156.07713	3.0
157.08002	0.9
157.10881	0.6
165.05415	0.6
165.10172	0.3
166.05835	0.6
174.00691	0.4
178.13319	0.3
179.11784	5.2
182.08125	0.5
183.08432	0.9
183.14812	0.4
188.11841	0.6
189.04114	0.3
189.10165	0.5
196.12073	1.1
206.12930	3.1
207.05353	0.4
209.12799	1.6
211.10736	0.6
211.14426	0.7
224.13948	14.8
224.15742	0.6
225.12303	0.8
226.15593	0.7
230.06909	0.4
237.02812	0.5
242.19659	1.5
248.08221	0.6
252.13307	1.0
252.15506	0.7
264.96240	0.5
270.14413	23.3
270.21747	1.0
271.06317	0.3
271.14804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03922	4.2
55.01855	5.3
55.05267	1.7
55.05506	24.3
57.03432	32.9
57.07050	4.4
60.70885	1.2
65.03931	3.2
67.05499	83.2
69.03336	1.3
69.06717	2.2
69.07059	27.7
69.46064	9.7
71.04983	7.2
79.05488	49.8
79.13593	1.2
81.03402	1.8
81.07048	100.0
82.07385	1.7
83.04966	12.0
83.08147	1.5
83.08614	21.9
85.06530	6.6
86.44368	1.3
91.05472	31.5
93.07034	74.5
95.04962	9.8
95.08046	2.0
95.08598	28.9
95.58173	1.5
97.06512	16.4
97.10121	2.0
98.20802	2.5
99.08081	4.3
105.07014	11.1
107.08585	34.4
109.06480	4.7
109.10133	4.7
111.08038	8.3
114.04414	1.5
117.07009	12.4
119.08542	4.0
121.10126	17.7
123.11672	3.8
131.08566	14.5
133.10117	18.1
135.11676	11.2
136.06143	2.0
139.11119	1.6
147.11612	1.5
149.13245	41.7
151.11336	1.4
157.10103	2.2
159.11678	22.3
161.02936	2.1
171.17647	1.3
177.12747	9.0
195.13774	13.5
269.17426	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01858	3.5
55.05258	1.7
55.05503	24.5
57.03431	28.4
57.07058	4.1
65.03920	2.9
67.05495	73.9
69.03416	1.8
69.07058	30.3
71.04967	10.2
71.08597	1.6
79.05483	48.3
81.03384	3.1
81.07047	100.0
83.04980	8.7
83.08611	17.4
85.02900	1.5
85.06575	6.2
91.05466	27.2
93.07033	63.5
95.04954	8.0
95.08598	25.7
97.06522	16.5
97.10162	2.2
99.08081	4.4
105.04453	1.4
105.07024	10.9
107.08577	33.6
109.06489	5.1
109.10144	4.6
111.08072	8.0
111.10577	1.5
117.06995	12.0
118.26124	1.2
119.08536	3.8
121.10119	16.3
123.08071	1.5
123.11674	3.2
131.08560	11.8
133.10138	11.8
135.08031	2.8
135.11685	10.2
139.10991	1.3
145.10118	1.7
149.13248	38.5
151.11197	2.0
157.10101	2.0
159.11667	22.1
167.14285	1.7
171.11656	2.2
177.12759	9.9
195.13774	14.4
213.14763	1.9
268.39981	1.3
269.17371	42.1
269.22089	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	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	3.3
55.01859	3.5
55.05259	1.8
55.05505	24.1
56.96549	1.6
57.03434	34.4
57.07057	5.9
65.03941	3.1
67.05499	75.1
69.06718	2.1
69.07063	31.3
70.58163	2.9
70.58553	3.1
71.04977	7.2
75.37552	1.5
79.05058	2.9
79.05486	40.7
79.93359	1.5
81.03400	4.2
81.07048	100.0
83.04976	9.1
83.08603	16.8
85.06521	5.2
91.05471	23.2
93.07036	66.8
93.87563	1.5
95.04945	9.1
95.08598	27.8
97.06520	14.3
97.10162	1.6
99.08102	3.4
105.07006	12.1
107.08584	33.7
109.06496	4.7
109.10152	7.5
111.08077	9.4
117.06998	11.7
119.08584	5.3
121.06452	1.7
121.10143	21.6
123.08072	2.5
123.11704	4.0
131.08530	12.8
133.10132	11.7
135.08038	2.5
135.11693	11.3
136.06122	1.8
139.11176	2.0
145.10143	2.7
149.13245	33.9
157.10106	2.9
159.11662	19.4
177.12717	9.5
195.13753	10.5
251.20001	2.8
269.17337	43.4
269.22217	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	269.1745
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
50.18407	1.5
53.03936	3.2
55.01857	3.5
55.05503	20.8
56.96537	2.1
57.02761	1.6
57.03184	2.3
57.03434	30.4
57.07054	4.9
65.03912	4.5
67.05497	81.9
68.83209	1.4
69.06716	2.4
69.07065	32.7
69.42865	1.4
71.04974	5.9
71.17887	1.8
71.18230	2.6
79.05489	51.4
79.74196	1.5
81.03397	2.7
81.07052	100.0
83.04972	9.0
83.08618	20.8
85.06535	6.6
91.05470	32.6
93.07037	75.0
95.04965	8.2
95.08601	28.3
97.06522	18.5
97.10164	3.9
99.08075	5.0
105.04510	1.4
105.07025	12.7
106.07432	1.3
107.08582	39.3
109.06508	4.7
109.10141	8.1
111.08088	10.8
115.05479	1.4
117.07006	12.1
119.08549	4.8
121.06509	2.0
121.10129	19.5
123.11698	5.6
125.09616	1.6
131.08549	16.1
133.10121	16.3
135.11661	13.9
136.06151	3.6
143.08546	2.3
144.59198	1.7
145.10170	1.3
147.11713	2.3
149.09615	3.0
149.13246	45.0
151.11168	2.2
153.12674	1.5
155.08475	1.4
157.10104	4.3
159.11693	24.9
164.07202	1.4
167.14302	2.5
169.09976	1.6
171.11638	1.8
171.98561	1.6
177.12766	12.9
181.10114	1.6
195.11737	4.7
195.13788	12.1
211.14819	1.8
213.12741	3.1
227.14204	2.4
229.55704	1.7
251.17767	3.1
269.17279	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03935	4.1
55.01865	2.6
55.05266	1.5
55.05507	19.1
55.05928	1.4
56.52185	1.1
57.03434	30.5
57.07051	4.9
65.03922	3.0
67.05501	72.3
69.03418	1.5
69.06716	1.9
69.07061	25.4
69.91029	6.6
71.04977	4.9
77.94367	1.3
79.05487	50.3
81.03388	3.5
81.07053	100.0
82.07371	1.6
83.04973	11.6
83.08618	17.9
85.06512	5.2
87.62845	1.2
89.10333	1.2
91.05473	25.5
93.07036	73.5
94.07384	1.9
95.04944	9.8
95.08041	2.2
95.08598	28.2
96.38404	1.3
97.06522	16.1
97.10119	1.5
99.08081	3.4
104.99234	1.4
105.07027	10.0
107.08583	35.9
109.06488	4.7
109.10155	6.8
111.08067	10.8
117.07025	11.4
119.08540	3.9
120.02013	1.5
120.11594	1.3
121.06477	2.5
121.10147	22.1
123.08022	1.9
123.11689	3.6
131.08575	13.9
133.10120	14.4
135.08011	2.6
135.11681	11.9
136.06180	2.3
137.06503	2.2
144.08066	1.4
145.10071	1.4
147.11652	2.3
149.13251	38.3
150.13658	1.4
151.11128	1.8
153.97156	1.2
157.10132	2.6
159.11681	21.2
176.52951	1.1
177.12746	8.7
189.61281	1.5
195.12056	1.6
195.13780	12.3
211.14680	1.4
213.14700	1.6
251.17967	1.8
263.63513	1.3
269.12576	2.5
269.17413	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03931	2.9
55.01863	3.4
55.05512	19.4
57.03185	1.8
57.03437	24.5
57.07050	4.4
57.79163	1.1
65.03944	2.3
66.35783	1.4
67.05502	72.7
69.03415	1.7
69.07060	25.3
69.50216	10.1
71.04999	6.4
77.03875	1.4
79.05489	41.4
81.03424	2.0
81.07054	100.0
82.07381	1.6
83.04977	6.9
83.08624	22.4
85.06541	6.4
91.04960	2.1
91.05481	27.8
93.07040	63.5
95.04971	10.1
95.08604	22.8
97.06518	15.6
97.10180	2.5
99.08085	3.3
105.07018	11.3
107.08587	34.1
109.06483	1.7
109.10141	4.6
111.08061	10.4
117.06255	1.9
117.07000	10.1
119.08537	3.8
121.06522	2.3
121.10123	14.4
123.08062	2.0
123.11673	6.0
131.08572	12.9
133.10123	18.9
135.08044	2.1
135.11674	13.1
139.07584	1.9
141.45709	1.2
147.11620	1.6
149.09633	1.8
149.13245	35.1
151.11128	4.1
159.11691	21.9
167.14243	1.6
177.12718	14.0
179.24628	1.3
188.48308	1.4
189.12497	1.3
195.13814	9.8
210.11874	1.1
213.14746	2.3
269.04800	1.5
269.09009	1.6
269.13177	2.3
269.17462	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	269.1746
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03929	3.8
55.01878	2.8
55.05266	1.7
55.05507	21.8
56.96549	1.8
57.03433	27.0
57.07057	3.3
65.03916	1.9
67.05498	77.9
69.03415	4.7
69.06715	1.9
69.07063	25.9
69.86224	4.6
69.86637	2.6
70.06579	1.3
71.04994	6.5
79.05485	47.0
81.03403	3.6
81.07052	100.0
82.07360	1.3
83.04980	9.2
83.08617	21.9
85.06517	7.2
86.09688	1.5
91.05470	31.1
93.07037	63.9
94.66945	1.3
95.04942	11.1
95.08059	1.6
95.08600	27.4
97.06512	16.1
97.10150	3.2
98.21472	2.4
98.97590	1.8
99.04472	1.4
99.08063	6.2
105.04430	1.3
105.06374	1.4
105.07023	12.0
107.04914	1.9
107.08585	36.7
109.06505	5.6
109.10141	6.7
111.08070	9.8
117.06999	10.6
119.08559	4.6
121.06502	2.2
121.10110	16.3
123.08041	2.1
123.11674	5.9
124.03919	1.9
125.04243	2.5
125.06001	1.5
127.07549	1.4
131.08548	16.3
133.10120	16.7
135.08038	2.6
135.11670	11.9
145.10081	2.8
147.11688	3.0
149.01100	1.3
149.09605	1.9
149.13251	37.1
151.11165	3.0
153.09024	1.4
157.10069	1.3
159.11685	22.2
161.13280	2.0
167.14334	1.4
171.11768	1.2
173.09329	1.3
173.13188	2.2
177.00612	1.4
177.12727	15.8
179.14310	1.5
195.13794	12.8
213.14813	2.9
243.59099	1.7
245.35214	1.2
269.08472	1.2
269.13052	2.2
269.17429	52.0
270.08722	1.8
270.17371	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	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01874	0.2
57.03437	0.6
69.03419	0.2
69.61564	0.1
71.04095	0.2
71.04469	0.2
94.04034	0.5
105.18649	0.1
119.03535	1.2
136.06177	100.0
137.04567	0.9
180.41937	0.1
268.10373	3.9
289.54111	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	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.74917	0.1
53.92118	0.2
55.01860	0.3
56.96576	0.1
57.03416	0.6
61.02902	0.3
66.44381	0.2
69.03412	0.3
70.72186	0.5
70.78862	0.1
73.02900	0.4
77.00835	0.2
85.02883	0.5
94.04033	0.5
100.27193	0.2
106.02841	0.5
112.99142	0.2
115.03327	0.3
119.03522	1.2
131.00076	0.2
136.06171	100.0
137.04610	0.8
137.06538	0.5
148.53285	0.2
195.63882	0.2
206.28418	0.1
268.10370	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	268.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23530	0.2
53.03934	0.3
55.05500	0.5
56.96569	0.2
57.03428	0.7
67.05488	0.3
69.03426	0.6
69.07066	0.5
69.87924	0.9
69.88342	0.4
70.06580	0.9
71.37105	0.2
72.08147	0.6
74.02439	1.1
78.03448	0.9
79.05486	0.9
80.05022	0.4
81.03421	1.0
81.07044	2.9
84.04491	0.3
84.08139	0.9
85.02896	0.8
86.09695	0.6
91.05495	0.4
93.07043	0.3
96.04491	0.6
96.43159	0.2
97.06536	1.1
98.20769	0.3
106.02904	2.8
106.04469	0.2
109.02922	0.4
109.05123	0.7
110.03499	3.0
110.07152	0.2
110.09671	0.2
120.08103	0.3
124.03941	17.0
125.04275	0.4
127.03938	0.4
128.04543	2.6
129.05460	0.3
129.10251	0.4
133.02931	0.2
135.03004	2.5
136.06180	6.1
147.04379	0.8
152.05658	100.0
153.04062	12.2
153.06035	0.5
166.83231	0.2
208.24449	0.2
215.19360	0.2
216.80396	0.2
223.07614	0.2
235.05460	0.2
250.07240	0.2
250.12904	2.5
268.08096	3.7
268.13998	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	267.1587
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03947	3.8
54.27492	0.6
55.01860	2.2
55.05505	7.9
56.96556	1.1
57.03434	17.6
59.34368	0.7
62.69630	0.7
67.05162	0.9
67.05495	10.5
67.44576	0.7
69.03418	2.2
69.07057	2.3
69.59597	1.8
69.60017	3.8
70.46611	0.7
71.04984	1.5
79.05479	11.2
81.03410	100.0
81.07044	10.0
83.04973	5.4
83.08604	14.3
83.70019	0.7
91.05475	16.6
93.07041	7.4
95.04964	18.9
95.08587	3.0
97.02899	2.7
97.06537	1.4
97.10174	1.5
98.20749	1.5
105.07013	13.5
107.04941	4.7
107.08556	2.9
109.06499	2.9
109.10149	1.4
111.04428	1.5
111.08058	5.9
115.05441	0.9
117.07011	1.4
119.08570	11.4
120.44473	0.7
121.06509	1.7
121.10162	3.4
123.08075	1.2
129.06985	7.5
131.08560	6.6
133.06503	2.4
133.10110	4.2
137.09650	1.5
140.86580	0.7
142.07780	2.7
145.10062	0.8
147.08026	2.9
147.11691	6.1
148.90726	0.8
149.09616	3.6
157.10126	7.8
165.12718	1.2
175.11148	8.0
187.46587	0.9
193.12221	16.3
203.05708	0.9
211.13263	2.7
221.33247	0.8
221.50452	0.7
241.81615	0.7
249.14909	1.7
267.09454	1.5
267.15897	33.0
268.16168	0.8
285.10110	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	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.13424	0.6
51.49037	0.7
53.03944	4.0
53.91162	0.6
55.01869	2.4
55.05509	5.3
57.03430	20.1
67.05495	9.8
69.03422	2.0
69.07054	3.1
70.21338	2.9
71.04975	0.8
79.05482	10.9
81.03408	100.0
81.07042	10.6
82.03735	1.2
83.04980	5.0
83.08608	13.4
86.04694	0.7
90.78372	0.7
91.05470	16.6
93.07032	7.4
95.04953	19.1
95.08585	4.6
97.02865	2.0
97.06520	1.1
97.10158	1.4
98.20848	0.9
105.07021	11.1
107.04949	4.2
107.08562	3.9
109.06503	2.6
109.10130	1.6
111.04391	0.8
111.08072	5.8
119.08568	12.2
121.06525	1.8
121.10104	3.7
123.08102	0.9
129.06970	7.7
131.08559	6.9
133.06480	2.4
133.10126	4.5
136.06239	0.8
137.09596	1.6
142.07732	1.9
145.10110	1.4
147.08055	2.9
147.11673	6.6
149.09660	3.4
157.10112	8.2
165.12737	2.0
175.11192	7.3
193.12238	19.0
211.13321	2.7
267.15881	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03945	5.0
55.01859	2.8
55.05510	7.9
56.96564	1.7
57.03432	20.1
63.62638	0.7
65.03941	1.1
67.05164	1.0
67.05499	12.8
69.03413	2.1
69.07072	3.3
69.51656	0.6
70.06129	2.8
70.06538	1.5
71.04990	3.1
72.93771	0.8
77.93456	0.7
79.05487	12.3
79.05904	1.2
81.03411	100.0
81.07047	12.9
83.04980	5.6
83.08611	15.6
85.02898	1.4
85.06541	1.2
91.04903	1.1
91.05475	19.7
93.07041	7.7
95.04966	22.7
95.08593	5.0
97.02875	3.1
97.06514	2.8
97.10168	1.0
98.97595	1.7
105.07018	12.8
105.63972	0.7
107.04926	5.7
107.08568	3.8
109.06507	2.9
109.10142	2.1
110.97788	0.6
111.04424	1.8
111.08056	5.8
115.05473	1.4
116.98627	1.0
117.07027	1.7
119.04945	0.7
119.08578	11.0
121.06497	2.5
121.10154	4.4
121.10904	0.6
123.08057	2.7
129.06985	7.9
131.00128	0.9
131.08556	7.6
133.06476	2.4
133.10139	4.3
135.08040	0.8
137.09595	2.0
142.07771	2.8
143.83379	0.8
145.10089	1.2
147.08028	2.9
147.11670	7.2
149.01207	1.6
149.09616	3.9
151.22720	0.8
152.90964	0.7
156.03612	1.3
157.10118	9.3
160.97624	0.7
163.11211	1.2
165.12746	2.6
175.11169	8.0
177.00708	1.5
193.12227	20.0
211.13290	3.7
243.08815	3.9
249.14822	1.6
259.10019	1.6
267.15897	41.8
268.16238	1.1
288.43152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1545
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03946	0.3
55.05506	12.1
56.05032	0.9
56.96559	0.4
57.05808	1.3
60.04514	0.3
67.05521	0.3
69.07061	0.5
70.06595	1.0
71.43604	0.7
72.08147	100.0
73.08494	0.4
81.04556	0.4
84.04505	0.8
84.08153	0.7
85.02913	0.3
86.09698	1.2
91.05473	0.6
103.05464	0.6
105.07062	0.3
113.19796	0.3
119.56052	0.3
120.08097	13.6
122.07200	0.8
130.04962	0.3
131.04866	0.3
134.19926	0.3
136.06204	0.5
144.04726	0.4
145.03062	0.3
149.05916	0.4
166.08617	9.8
175.07698	0.3
177.05521	0.5
178.55772	0.3
219.15054	0.3
229.18869	0.3
240.46661	0.3
265.15579	2.1
265.18423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.3
70.04306	0.5
77.01389	0.1
82.99889	0.2
84.08136	0.3
87.82591	0.1
92.63512	0.1
98.21450	0.1
98.97615	0.1
101.00869	0.9
116.98598	0.3
118.03551	0.1
119.01912	10.6
120.01994	0.4
122.97787	0.1
124.12090	0.1
134.99835	1.0
137.02948	5.2
138.03021	0.3
140.98888	0.2
142.03494	0.3
153.00940	0.8
158.99878	1.0
160.00089	0.1
160.04559	0.1
165.99670	0.2
166.07935	0.1
168.02084	0.2
175.03044	0.4
177.00943	23.3
178.01042	1.0
179.00783	0.3
182.99821	0.6
193.04074	0.6
195.02034	0.8
199.03087	0.1
200.02608	0.3
201.00874	1.2
201.02487	0.1
210.03033	0.1
217.04076	3.3
217.06084	0.2
218.03767	0.3
219.01991	27.4
220.02127	1.6
221.01799	0.5
225.00861	2.0
226.01050	0.2
237.03096	0.1
237.95471	0.1
240.05637	0.2
242.03642	0.6
243.01967	7.0
244.02054	0.3
260.04636	0.3
261.03043	100.0
262.03192	3.8
263.03384	0.4
266.03571	0.4
266.07932	0.3
275.04544	0.4
284.04669	3.8
285.04724	0.2
289.06146	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	267.1339
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
53.03938	0.7
55.01853	0.9
55.05494	1.1
56.05023	3.6
56.96556	2.4
57.03424	0.5
57.05822	0.9
58.06593	2.7
60.04520	1.5
67.05482	2.6
69.03410	1.2
70.06590	4.6
71.04986	0.9
71.07347	0.8
71.58692	0.8
72.08143	4.2
73.02894	0.5
74.06083	3.6
79.05479	1.3
81.04517	0.9
82.05303	0.9
83.06091	0.5
83.08630	0.5
84.04498	2.1
84.08144	4.1
85.02889	1.5
85.08463	0.6
86.09694	1.4
88.03989	0.8
88.16077	0.5
91.05459	1.0
93.07025	0.9
94.06557	8.6
95.04984	1.2
95.06070	1.2
95.08613	0.9
97.02911	1.1
98.06030	1.0
98.97587	1.7
100.03981	1.5
102.05532	73.8
103.05408	1.1
105.07011	1.6
106.06534	4.7
107.04951	1.2
109.02921	0.6
110.06042	0.7
110.07153	2.3
116.07108	1.9
116.98632	1.5
117.07009	0.6
118.04980	1.1
119.04913	1.2
120.04462	2.6
120.08080	0.6
121.06509	1.1
122.06017	8.0
122.07131	4.0
123.07968	1.1
124.03952	0.9
125.07137	0.9
129.10220	2.2
130.06508	1.5
131.04909	2.5
132.08072	1.1
132.95840	0.8
133.06493	1.4
134.06007	6.8
134.99669	1.2
135.04358	1.2
136.06171	36.2
137.05919	1.0
138.05434	1.3
146.06105	1.1
147.04364	0.5
147.06747	0.8
148.03882	0.7
148.07547	1.8
149.05966	0.9
150.05490	100.0
150.96870	0.8
150.99104	1.1
151.05858	1.6
158.06003	9.9
159.04375	0.8
159.06743	1.2
160.07570	3.7
161.06058	0.8
161.08275	0.8
162.05496	3.5
162.09154	1.0
163.03938	1.0
163.09917	2.0
168.06525	4.5
173.12889	0.6
174.09123	1.8
176.07051	3.5
176.10683	1.8
177.05472	0.8
178.08571	1.0
179.11754	1.5
180.06590	1.7
186.05450	0.6
188.09412	1.0
191.09294	0.7
193.00412	0.7
194.08073	0.9
201.04271	0.5
203.11775	25.4
203.13690	1.2
204.06554	1.4
204.10168	1.1
206.11856	0.6
221.12823	17.1
222.07669	3.6
222.11162	1.0
249.09831	1.3
249.12276	8.0
255.58163	0.5
267.00073	1.0
267.09799	4.8
267.13345	20.2
268.10455	1.5
285.01025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
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
53.03946	1.4
55.01862	1.4
55.05507	4.7
55.35780	1.1
60.35226	1.1
65.03937	3.4
67.05501	9.5
69.03426	11.6
69.07061	2.8
69.44856	1.0
70.03759	2.1
70.04141	1.9
70.06596	2.2
71.04987	2.2
72.08155	5.9
75.47793	1.3
77.01440	1.2
79.05477	6.5
81.03403	2.1
81.07060	6.2
83.04956	4.0
85.02887	2.9
85.06531	1.6
86.09711	3.4
91.05471	15.4
93.03403	1.4
93.07041	16.0
95.04973	16.3
95.08605	6.9
97.06548	1.7
98.20700	1.5
99.04429	2.1
103.05469	5.6
105.07019	22.1
107.04951	1.4
107.08604	7.8
109.02864	2.4
109.06511	8.4
109.10144	3.2
111.04436	12.3
111.08070	3.4
113.02338	1.3
113.06001	5.2
115.05466	3.4
116.06209	1.9
117.07022	4.0
118.08650	1.4
119.08577	31.7
120.08099	100.0
121.02851	4.3
121.06488	14.0
121.10159	4.9
122.07155	4.3
123.08083	7.3
125.09644	1.3
128.06219	1.9
129.06995	5.7
130.07773	1.5
131.08545	13.5
133.06474	4.9
133.10127	7.0
135.08040	24.1
135.09975	2.5
137.09608	4.4
137.22025	1.2
139.03906	3.6
139.07521	2.2
141.06979	2.5
142.07762	2.9
143.08554	6.2
144.09334	3.3
145.06502	4.6
145.10136	10.6
146.07202	1.5
147.08057	15.6
147.11711	6.1
149.06026	2.3
149.09619	4.3
151.07497	2.2
152.05682	9.7
153.04077	1.5
153.06943	1.2
153.09064	2.7
154.07774	1.5
155.08571	3.0
156.09401	1.7
157.06554	1.4
157.10078	7.4
158.07230	7.0
158.10909	1.5
159.08052	13.8
159.11678	13.5
160.08904	1.3
161.09593	11.6
165.09099	9.7
168.09343	2.8
169.10147	1.6
171.11693	3.1
172.08870	7.4
173.09631	6.1
173.13223	6.4
175.07544	20.6
175.11086	9.2
177.05496	2.1
181.54720	1.1
183.11674	4.0
185.09644	3.3
186.10445	2.1
187.11209	12.1
189.09123	3.2
189.12697	3.7
193.08598	5.7
193.10167	2.2
196.08891	2.1
199.11180	4.7
201.12752	11.6
203.10690	12.9
205.12230	3.0
211.11143	6.9
217.12152	5.4
219.13530	2.2
229.12215	6.5
235.13272	1.4
247.13139	12.8
265.14865	9.6
266.12515	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	265.1434
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
52.09231	2.3
55.05495	8.9
65.03933	7.9
67.01822	3.3
67.05498	26.0
69.03426	39.4
69.07054	5.7
69.27195	31.5
71.04980	9.6
77.03897	4.0
79.05128	2.2
79.05488	19.2
81.07053	16.3
81.64720	2.4
83.04965	8.6
85.06538	3.4
86.09699	4.2
91.05471	52.1
93.03388	9.7
93.07034	42.0
95.04961	52.4
95.08611	20.7
97.02884	5.8
97.06523	7.8
99.04446	3.8
103.05424	4.0
105.06376	5.3
105.07021	68.0
107.04946	6.1
107.08601	29.7
109.06516	30.3
109.10145	7.6
111.04426	33.2
111.08076	12.1
113.06028	19.5
115.05435	7.1
116.06230	6.8
117.06995	19.4
119.04962	3.7
119.08580	100.0
120.08053	5.8
121.02848	15.1
121.06493	52.1
121.10106	10.5
123.04403	4.6
123.08059	25.4
125.05964	4.4
128.06204	8.8
129.07008	18.7
130.07762	8.2
131.08563	48.4
131.58310	3.3
132.05736	3.4
133.06461	12.7
133.10143	19.1
135.07098	5.2
135.08051	78.6
137.09564	18.2
139.03877	11.8
139.07510	9.4
141.06969	11.1
142.07788	10.3
143.08553	19.5
144.05673	2.8
144.09344	7.5
145.02863	4.9
145.06442	15.2
145.10106	39.1
146.07242	6.6
147.08031	47.6
147.11694	16.0
149.05989	3.6
149.09586	12.1
151.07500	3.6
153.07022	3.3
153.09090	9.1
155.08543	8.1
156.09265	7.3
157.06508	7.1
157.10109	20.5
158.07257	31.4
158.10811	4.6
159.08040	50.1
159.11656	39.5
160.08870	6.6
161.05978	4.1
161.09625	43.9
161.13252	5.4
163.07545	3.6
165.09094	29.7
167.08586	3.7
168.09357	6.8
169.10226	4.7
171.08031	7.5
171.11652	11.1
172.08838	26.8
173.09647	19.0
173.13245	25.6
175.07536	78.0
175.11185	36.4
177.05469	9.2
181.10031	3.8
183.11671	10.9
185.09644	10.2
186.10356	8.9
187.11191	47.4
189.09087	9.5
189.12735	17.2
193.08626	24.5
196.08806	8.7
199.11191	13.6
201.12720	37.9
203.10666	47.1
205.12270	8.0
207.10196	2.7
211.11168	27.9
217.12254	27.0
219.13762	11.3
229.12199	30.5
235.13210	6.4
247.13231	46.3
265.14304	61.1
265.18887	2.7
287.57449	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	265.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
55.75871	0.2
56.96555	0.8
57.03437	0.2
58.06597	1.2
67.05490	0.3
69.03412	0.3
69.07055	0.3
70.06588	0.4
70.92923	0.6
72.08137	0.3
76.07542	0.2
76.37697	0.2
79.05476	0.4
81.03425	0.4
81.07025	0.7
84.04518	0.2
84.08133	0.3
86.06050	0.3
86.09716	0.4
91.05493	0.7
93.07021	0.5
94.04078	0.4
95.04955	0.4
95.08596	0.3
97.02905	0.2
98.97571	0.7
102.05520	0.3
104.07101	0.5
105.07001	0.3
107.04986	0.2
107.08585	0.4
109.05144	0.3
109.06511	0.2
116.98582	0.4
119.03542	2.8
119.08601	0.2
120.08088	0.8
121.06473	0.2
122.07141	0.9
124.80481	0.2
129.06992	0.3
131.08513	0.2
134.99641	0.2
136.06174	100.0
137.04601	2.5
137.05707	0.3
137.06631	0.3
142.07397	0.2
144.04840	0.2
158.99623	0.5
162.04100	21.8
163.03946	0.2
166.08702	0.2
173.01257	0.2
177.00719	0.6
195.79562	0.2
201.12845	0.2
203.10753	0.2
219.01816	0.3
219.09941	0.5
247.14577	0.3
248.12761	0.4
265.10422	6.0
265.14966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.15562	0.7
51.69753	0.7
53.03936	1.8
55.01852	1.1
55.05509	15.0
57.03432	1.6
57.07076	11.0
64.92944	0.6
65.03938	2.5
67.05499	84.2
68.05835	0.7
69.03425	0.9
69.07063	17.2
70.20999	3.0
71.04987	1.8
71.08626	6.1
74.93565	0.7
79.05488	22.5
81.07050	100.0
82.07362	0.9
83.04977	1.7
83.08617	15.2
85.06535	5.0
85.10172	2.6
91.05473	18.1
93.07034	23.2
95.04972	2.5
95.08598	84.6
96.49207	0.6
97.06516	8.2
97.10168	6.4
99.08091	4.8
104.99282	2.5
105.07015	11.2
107.08586	13.3
109.06496	1.5
109.10148	43.3
111.08054	4.3
111.11713	1.3
113.09629	2.9
119.08569	11.4
121.09295	1.3
121.10137	17.2
123.08099	2.4
123.11701	19.2
125.09604	1.2
127.11205	1.7
133.10115	15.0
135.11693	8.9
137.09599	2.3
137.13240	6.9
141.12740	1.4
147.11673	9.6
149.13254	9.2
151.11223	1.2
151.14793	6.6
155.14276	1.3
161.13239	9.5
163.14824	6.9
165.16391	8.3
175.14796	6.6
177.16394	1.8
179.17967	3.2
181.15953	1.3
189.16318	4.5
203.17964	1.1
245.19992	0.9
245.22621	27.2
263.23688	56.1
264.24066	1.5
268.98779	0.7
271.04144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.7
56.05029	2.3
56.96560	100.0
61.01138	1.7
67.05474	1.8
68.04997	1.6
70.06577	4.8
70.09344	3.5
71.95265	2.0
72.08152	5.3
72.96024	4.0
74.02437	2.1
74.97601	2.8
75.35139	0.9
79.05486	1.5
81.03419	1.1
81.07070	2.0
82.06568	1.6
83.97633	1.7
84.04501	10.7
84.08133	6.0
84.96018	1.0
85.02897	3.4
86.09695	1.2
88.04002	1.6
88.04640	0.9
91.05477	2.0
96.04482	1.9
97.02869	1.1
97.06505	1.9
98.97562	6.5
102.05532	2.1
105.07047	1.8
107.04961	1.5
109.02806	1.4
110.09682	5.0
114.05503	4.0
116.98613	7.8
119.04937	1.2
120.08099	2.3
126.09103	2.3
129.10213	1.2
130.05002	3.1
130.06465	1.6
131.05286	1.0
132.08031	1.7
134.99654	9.9
138.09108	2.5
142.05008	3.5
147.11766	1.0
150.07747	5.7
153.00661	1.9
156.10199	4.3
162.02962	1.8
162.04149	2.8
162.97874	2.0
163.00668	1.1
163.04379	3.4
167.03787	2.6
174.09456	1.4
176.03821	14.6
177.10188	1.2
178.05402	16.3
181.01707	1.4
183.03305	4.5
184.09686	2.5
192.03464	2.1
194.04883	10.0
194.93387	2.1
196.06435	12.2
197.01112	1.1
201.04330	6.5
202.10704	24.8
204.03215	5.5
208.02840	4.5
210.04346	3.3
218.12885	2.8
220.09964	1.5
222.04358	70.9
223.04727	1.2
226.03839	5.8
239.03746	1.0
240.05409	69.7
245.05934	3.4
258.06497	1.3
263.07004	2.8
264.05353	15.2
264.08841	1.9
264.14700	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	263.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	17.2
55.63181	1.5
56.96568	1.9
57.03408	1.8
57.07067	14.3
65.03931	2.2
67.05502	86.1
69.06768	1.7
69.07066	17.6
69.40308	2.7
69.40725	12.1
71.04981	2.1
71.08604	6.9
79.05487	22.8
81.07053	100.0
83.04986	2.1
83.08605	13.8
84.05362	1.6
84.78597	1.7
85.06519	5.0
85.10167	2.1
91.05470	19.5
93.07040	24.3
95.04960	4.3
95.08601	84.9
97.06545	7.5
97.10153	7.0
99.08083	4.7
101.80559	1.7
104.99268	18.1
105.07016	12.0
107.08582	14.6
109.06508	3.0
109.10153	50.5
111.08060	6.2
113.09664	2.5
119.08575	17.1
121.10143	21.3
123.08045	4.8
123.11689	19.6
125.68629	1.8
133.10129	18.2
135.11682	10.2
137.09567	2.1
137.13237	8.0
138.02403	1.4
147.11667	12.0
147.20641	1.6
149.13223	7.9
151.11121	2.6
151.14806	7.1
153.99458	1.6
161.13245	12.8
163.14813	7.1
163.73106	1.7
165.16373	9.7
167.14284	1.9
175.14822	6.8
177.16409	2.0
179.17931	2.8
181.15866	3.0
189.16350	3.3
193.10115	2.7
196.32106	1.5
245.22652	34.0
263.14603	11.4
263.17609	2.4
263.23697	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03934	2.0
55.05508	16.4
57.03435	1.5
57.07072	12.1
57.80030	1.0
65.03922	2.9
67.05501	85.7
68.05813	0.9
69.07065	14.8
69.87649	6.3
71.04982	2.6
71.08632	5.7
79.05490	20.2
81.07053	100.0
83.04986	1.6
83.08611	15.7
85.06539	3.4
85.10175	3.9
91.05481	16.5
93.07040	23.9
95.04971	2.7
95.08601	87.8
97.06528	6.8
97.10174	6.2
99.08103	5.0
104.99268	2.0
105.07027	11.3
107.08592	13.6
109.06533	1.6
109.10149	45.5
111.08072	5.4
112.08475	0.9
113.09647	2.4
119.08587	13.0
121.10139	14.9
123.08072	2.1
123.11713	18.1
125.09631	1.1
127.11200	2.0
133.10124	14.5
135.11670	10.2
137.09595	3.5
137.13251	8.2
147.11694	9.6
149.13248	7.7
151.11197	1.8
151.14836	7.0
155.14255	2.1
161.13249	8.4
163.14798	8.0
165.16385	9.9
173.58383	1.1
175.14854	6.1
179.17987	3.8
189.16394	2.8
203.88577	1.0
217.19603	1.4
245.22624	30.6
247.11588	3.4
248.12343	1.8
263.14685	13.5
263.23691	58.1
264.24054	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	263.1388
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
53.03940	0.4
55.01867	0.4
55.05505	3.2
56.05826	1.5
56.38260	0.3
56.96560	1.8
58.06583	0.3
58.99569	1.7
59.99946	0.4
61.01127	0.5
67.05490	0.8
69.03412	0.9
69.07054	1.2
70.06586	35.3
70.70396	0.4
71.04979	0.5
71.60313	0.8
72.08138	1.3
79.05461	0.5
81.07029	1.2
82.06586	0.4
83.08611	1.6
84.04501	0.8
84.08160	2.2
84.08961	0.8
85.02903	0.7
85.06503	0.4
86.09695	1.9
86.99032	1.4
91.05466	2.9
93.07024	3.7
95.04970	1.1
95.08592	1.2
97.06528	0.7
98.97563	1.7
103.05460	7.3
105.03360	0.8
105.07002	1.2
107.08562	0.9
109.02819	0.5
109.06540	0.5
110.07170	0.6
116.01706	3.9
116.07082	78.8
116.98611	1.3
117.01994	1.4
119.04931	1.2
119.08541	0.7
120.08096	100.0
121.06468	0.5
121.08442	0.7
121.26649	0.4
123.08070	0.7
128.06210	0.4
129.07010	0.6
129.10185	0.4
130.06506	1.4
131.00182	0.4
132.04446	0.8
134.99678	0.8
135.08047	1.1
136.07555	0.9
144.01106	1.3
145.01456	1.3
146.97354	0.5
147.04405	1.4
157.07596	2.9
158.06018	1.4
161.03000	0.5
161.09676	0.6
162.02208	2.2
163.02541	2.0
175.08665	1.7
175.11208	0.5
177.00697	0.9
184.49081	0.5
185.13599	0.7
191.02306	0.6
203.10443	0.4
220.12988	0.4
221.04713	0.8
221.09274	0.4
245.09308	0.4
245.11688	0.7
246.11264	0.5
263.13916	11.1
263.16443	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	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03944	1.7
55.01867	0.9
55.05252	1.4
55.05503	15.6
56.96556	0.8
57.03419	2.0
57.07064	12.3
63.64983	0.7
65.03937	2.7
67.05496	87.2
69.03430	0.8
69.07058	17.2
69.44753	1.2
69.45152	5.7
71.04982	2.3
71.08620	7.4
71.88151	0.7
79.05483	20.9
81.07047	100.0
83.04987	1.5
83.08611	13.6
85.06527	4.2
85.10157	2.9
88.55997	0.7
91.05464	16.6
91.06004	1.3
93.07034	24.3
95.04959	2.9
95.08595	86.8
97.06506	6.6
97.10157	5.1
99.08084	6.3
104.99262	4.7
105.07025	11.3
107.08582	13.2
109.06525	2.1
109.10143	43.9
111.08069	5.3
111.11689	1.3
113.09635	2.3
119.08569	13.7
121.10128	15.5
123.08052	2.5
123.11686	17.9
125.09631	1.0
127.11165	1.4
133.10112	14.8
135.11693	10.3
137.09593	2.0
137.13200	6.4
141.12695	1.9
147.11656	9.7
149.13235	8.2
151.11195	1.0
151.14783	6.5
155.14317	1.6
161.13249	10.9
163.14792	9.3
163.64403	0.7
165.12767	0.8
165.16371	9.9
167.14267	0.8
169.15994	0.7
175.14796	7.6
177.16382	1.7
179.14287	1.3
179.17969	3.6
189.16385	3.5
199.06407	0.8
203.17943	1.4
217.07446	1.5
217.19513	1.3
245.22635	30.5
263.23669	64.2
264.24164	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	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11523	1.4
58.99865	4.3
63.20363	1.5
69.72530	9.8
70.99832	3.3
77.00903	11.6
77.56902	1.6
81.03397	3.2
84.75333	1.5
89.00889	4.3
95.01937	4.1
98.21602	1.8
101.00262	2.7
101.00876	35.2
107.01917	2.1
109.02898	4.1
113.00841	1.7
115.02434	6.0
119.01910	100.0
120.02025	1.7
127.02412	2.3
131.01920	7.5
133.03477	8.3
135.01363	2.2
137.02940	14.9
139.02348	7.1
143.01866	12.0
145.03442	23.9
149.03012	1.8
157.03452	51.5
159.01379	5.5
161.02950	37.7
162.03041	1.6
163.04507	4.8
167.01933	2.4
173.03078	1.5
175.04485	17.6
177.02464	2.6
178.00894	1.4
179.04051	3.9
185.02925	14.2
203.04005	16.3
209.33383	1.6
221.05055	24.3
239.06133	18.3
263.06119	85.4
264.06372	2.1
272.06445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.9
56.05027	0.6
56.05836	3.0
56.96560	1.4
57.03428	0.6
58.99588	5.7
59.03216	0.4
59.13177	0.4
59.99925	0.8
62.06050	0.4
67.05503	1.6
69.03423	1.0
69.07074	0.6
70.06585	35.3
71.04973	0.4
71.49612	0.6
72.08153	1.7
73.01163	0.5
76.03997	1.1
79.05457	0.9
81.03386	0.6
81.07077	1.4
82.06566	0.5
83.08607	2.8
84.08129	1.4
84.08936	2.6
85.02904	0.6
86.09692	2.3
86.99053	3.2
87.99398	0.9
88.02218	0.6
89.02579	0.5
91.05458	2.8
93.07039	3.4
95.04968	1.2
95.08601	1.7
97.02803	0.5
98.06017	0.5
98.97571	1.0
103.05452	7.0
105.07047	1.1
107.04946	0.7
107.08621	0.8
109.02856	0.6
109.06496	0.8
110.07188	0.6
111.04469	0.6
114.05613	0.5
116.01670	8.5
116.07082	79.3
116.98627	0.9
117.02072	3.6
119.04932	0.9
120.08094	100.0
121.08441	0.7
121.10214	0.8
123.04441	1.4
123.08065	0.8
129.06976	0.5
129.10257	0.5
130.06615	0.5
131.04935	0.8
131.08568	1.4
133.10124	0.5
135.08046	1.3
136.07564	1.8
143.08495	0.6
144.01146	2.4
145.01511	2.9
146.05991	0.9
147.04385	0.8
147.08026	0.6
147.11662	0.7
149.05934	0.6
161.02913	0.7
162.02199	4.9
163.02542	5.0
164.66335	0.5
168.10553	0.6
173.09566	0.6
175.07489	0.6
203.09222	0.8
203.35675	0.5
245.11749	1.0
263.13974	10.9
263.16510	0.6
263.20197	0.5
274.70062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11523	1.4
58.99865	4.3
63.20363	1.5
69.72530	9.8
70.99832	3.3
77.00903	11.6
77.56902	1.6
81.03397	3.2
84.75333	1.5
89.00889	4.3
95.01937	4.1
98.21602	1.8
101.00262	2.7
101.00876	35.2
107.01917	2.1
109.02898	4.1
113.00841	1.7
115.02434	6.0
119.01910	100.0
120.02025	1.7
127.02412	2.3
131.01920	7.5
133.03477	8.3
135.01363	2.2
137.02940	14.9
139.02348	7.1
143.01866	12.0
145.03442	23.9
149.03012	1.8
157.03452	51.5
159.01379	5.5
161.02950	37.7
162.03041	1.6
163.04507	4.8
167.01933	2.4
173.03078	1.5
175.04485	17.6
177.02464	2.6
178.00894	1.4
179.04051	3.9
185.02925	14.2
203.04005	16.3
209.33383	1.6
221.05055	24.3
239.06133	18.3
263.06119	85.4
264.06372	2.1
272.06445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79954	100.0
69.80356	21.3
76.13775	15.3
82.67996	15.0
98.21404	25.7
119.01896	26.8
133.03481	43.2
161.02948	54.4
173.02917	27.1
227.71227	17.7
263.01611	69.4
263.06125	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	5.2
57.93794	3.6
59.07382	3.7
62.48350	3.6
70.40669	11.6
85.02912	5.8
101.00845	20.2
113.00827	4.3
118.08653	13.7
119.01917	56.3
124.70440	3.2
131.00104	3.9
131.01901	23.8
133.03508	18.5
137.02948	15.9
143.01891	29.8
145.03429	8.2
155.01888	11.0
157.03468	10.8
159.05058	7.6
161.02953	100.0
173.02936	32.6
176.04277	4.5
179.03986	4.3
191.03986	24.9
197.02910	7.6
203.03998	16.5
209.08607	4.7
215.03975	4.7
221.05074	5.3
257.30988	3.3
263.01801	18.8
263.06088	61.8
263.13779	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	263.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05183	1.1
53.15471	1.0
56.96550	3.1
69.96113	5.1
72.08148	1.3
77.00886	3.0
81.03381	0.9
82.99816	1.3
83.70570	1.1
85.02881	3.9
97.02898	2.2
98.21452	1.4
98.97623	1.1
100.83903	1.0
101.00870	15.9
112.99166	1.0
113.00835	2.6
115.02425	2.5
118.08625	4.6
119.01917	48.4
120.02187	1.1
129.03998	1.1
131.00229	1.8
131.01025	1.5
131.01904	22.2
133.03455	9.6
137.02960	9.1
143.00839	1.9
143.01892	31.7
145.03429	6.3
146.09242	1.4
149.01175	2.1
149.02936	3.2
151.04460	1.2
153.85120	1.1
155.01884	11.2
157.03468	9.2
159.05028	3.6
161.02951	100.0
163.04488	1.4
166.10785	1.1
173.02951	33.8
175.04500	2.8
177.06050	1.8
179.03981	4.2
179.11987	1.0
182.99948	1.1
184.04532	2.1
185.02972	6.5
187.04460	1.6
191.03987	25.6
195.07129	1.5
197.02985	5.2
201.06090	1.3
203.02541	1.1
203.04024	13.0
215.03992	2.1
221.05090	9.6
233.05099	2.4
239.06093	8.0
245.04959	3.3
263.01999	7.5
263.06082	70.0
263.13669	1.9
264.06000	1.6
265.97244	1.1
267.00830	1.0
281.07144	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	262.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06189	0.3
55.01860	0.5
55.05500	0.8
55.93528	0.6
56.05026	0.9
56.96554	2.2
57.03429	1.7
58.06337	0.3
58.06599	1.3
58.99567	0.3
59.04996	9.9
59.07387	0.7
60.04518	2.2
60.05639	0.5
60.08157	7.4
61.02908	0.4
68.05015	0.3
69.03403	0.5
69.07053	0.5
70.02953	0.3
70.06586	10.0
71.05025	0.3
71.34646	0.5
71.93010	0.3
72.08141	1.3
72.93794	1.5
73.06552	0.4
74.06084	1.4
81.03407	0.6
82.83978	0.3
83.04965	0.9
83.06077	0.4
84.04487	1.9
84.08134	5.3
85.02896	100.0
85.06504	0.4
85.08461	0.8
86.03221	0.4
86.06062	1.1
86.09717	1.8
87.05595	0.5
87.10036	0.9
88.03999	0.9
90.94826	1.0
91.05475	0.5
95.04978	0.4
97.02899	0.5
97.06538	0.5
98.06035	0.7
98.97583	1.1
102.01799	0.4
102.05546	2.0
103.03947	0.9
103.05465	0.3
104.07082	1.7
104.96354	0.5
107.04946	0.6
108.95865	0.6
110.07158	1.3
111.13601	0.3
112.01827	0.4
112.08701	0.4
114.05515	0.6
115.08689	1.3
116.07068	0.9
116.98623	0.7
117.04842	0.3
119.01898	1.2
119.04942	0.4
120.08096	2.4
122.97412	0.4
123.04411	0.4
125.96120	0.6
126.05564	0.5
126.09140	0.4
128.98729	0.3
129.10249	1.5
130.08652	0.5
131.08176	1.6
131.95116	0.4
132.95824	1.0
134.99701	0.7
136.06175	0.9
136.07573	0.4
136.40314	0.3
137.02869	0.3
142.04892	0.3
143.01872	0.6
144.10191	3.1
145.04944	12.2
146.06082	0.4
146.97464	0.7
146.99629	0.3
147.02895	0.5
147.04469	0.4
148.02235	0.4
148.06136	0.3
148.98837	0.3
149.01201	0.6
149.02594	0.3
149.96092	1.1
150.00710	0.6
150.96877	1.6
154.08589	0.7
155.04686	0.8
159.07669	1.2
160.95241	1.4
161.03014	2.0
162.04100	5.8
162.05396	0.6
162.26976	0.3
162.96884	0.4
163.02684	0.3
163.97746	0.4
167.97134	0.6
173.02985	0.6
177.00761	0.5
178.96362	0.5
185.08081	1.7
189.05598	0.5
192.98135	0.3
200.09154	0.5
201.95660	0.6
202.96339	0.7
203.09143	0.7
204.12294	0.6
219.06177	0.4
219.96622	1.9
220.97375	1.1
223.01210	0.6
226.07112	0.6
244.08102	0.6
244.11800	0.4
246.11223	0.3
262.06100	1.5
262.16495	38.0
263.06165	1.1
263.08908	1.7
263.16620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.18
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
56.96539	0.5
57.07064	1.0
59.56444	0.3
69.47161	2.7
70.06581	3.5
71.08619	1.2
80.04962	0.4
84.08148	0.8
87.04459	32.6
88.07621	4.0
90.58958	0.4
106.06553	0.4
106.08662	0.7
114.09155	1.5
118.06529	12.8
118.08617	0.7
119.07405	0.4
131.08571	0.4
132.08072	3.5
132.08929	0.4
132.09273	0.5
132.10190	5.2
133.08871	2.3
134.09644	0.7
146.09605	4.2
147.10393	0.8
150.11234	3.8
160.11218	0.4
176.14328	78.8
177.14676	1.0
186.18550	0.4
200.20192	0.4
218.11713	0.5
218.21147	1.3
262.17993	100.0
262.23727	21.7
263.18326	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	262.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
54.38160	0.4
55.05505	62.2
56.05030	0.6
56.05831	0.6
57.98809	1.1
58.15747	0.5
58.99580	45.3
61.01144	1.8
70.06617	0.5
71.35448	0.8
72.08135	0.4
73.01134	4.2
76.03996	7.3
83.08609	34.3
84.04487	0.6
84.08134	0.9
86.09684	0.7
86.99046	29.4
88.02208	9.6
97.02883	0.5
98.80396	0.4
101.09629	1.0
104.05321	0.5
110.07191	0.5
110.45677	0.5
115.40397	0.4
116.01665	100.0
117.02013	0.5
120.08092	0.9
129.10249	0.7
130.04945	0.5
144.01131	42.6
145.01453	0.5
152.53204	0.5
159.08507	0.5
162.02185	79.9
163.02412	0.7
244.09892	0.5
252.03732	0.5
262.11090	0.9
262.14337	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	262.1185
Annotation	Glycyltryptophan
Peak:m/z	Relative Intensity
53.06620	1.9
55.93518	3.0
56.96555	6.7
68.05039	2.5
70.06591	4.7
70.84129	2.1
70.84440	4.3
72.08125	2.5
74.02435	3.7
83.74490	2.4
84.04558	2.2
84.08128	5.8
85.02899	6.3
86.09677	5.7
87.10040	2.2
88.48512	1.9
93.69064	1.9
106.06600	2.5
109.06085	2.0
110.07166	2.4
114.76405	2.2
117.05766	3.8
119.95247	2.0
120.08089	5.9
129.06981	4.3
130.06525	64.8
131.07291	7.1
132.08128	3.6
133.05251	2.7
133.07629	6.5
134.05994	4.0
142.06563	2.8
143.07262	5.5
144.08105	15.4
145.07611	6.2
145.88850	2.0
146.06029	16.4
146.97412	4.0
147.09204	4.1
148.07576	5.2
154.05452	2.1
154.06456	11.2
156.06847	3.6
156.08096	12.2
157.07610	100.0
158.06035	11.3
158.08369	12.1
159.09187	9.2
160.07591	6.4
161.07123	4.4
162.05418	2.8
169.05342	2.1
169.07651	3.5
169.98982	2.5
171.09146	19.9
172.07564	7.6
173.07089	15.8
174.05493	3.9
175.08649	10.5
181.07640	8.3
182.06017	6.0
182.08458	2.2
183.09164	5.9
184.07700	3.3
185.07100	36.7
187.08720	5.0
188.09454	4.3
189.10213	9.1
198.10184	14.4
199.08708	18.9
200.07047	6.0
201.10213	9.8
203.08153	97.2
204.06511	4.0
209.07031	5.6
216.11322	30.6
217.09671	3.9
227.08128	34.1
228.06378	2.2
244.10820	7.8
245.09236	35.9
246.07629	4.1
262.11841	44.4
262.14462	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03933	3.1
55.01855	1.4
55.05265	1.1
55.05508	15.9
57.03423	1.7
57.07068	4.6
57.30633	0.6
65.03923	2.6
67.05499	49.5
69.03426	0.6
69.06713	1.1
69.07060	14.2
69.67957	0.6
69.68270	5.0
71.04981	2.4
71.08616	2.1
72.98714	0.7
76.41251	0.6
79.05486	65.5
81.07051	54.5
83.04962	1.4
83.08149	0.6
83.08617	10.2
85.06541	4.6
91.05472	30.2
92.97589	0.6
93.07036	84.3
95.04966	6.7
95.08599	43.5
95.09080	0.4
95.09245	1.3
96.38634	0.8
97.06527	3.6
97.10165	3.3
99.08062	4.1
105.04465	0.9
105.07021	21.3
107.04958	0.9
107.08586	52.4
109.06493	2.6
109.09459	1.2
109.10155	15.7
111.08082	3.6
111.11697	1.0
113.09642	1.3
117.07014	8.5
119.08566	19.3
121.10136	44.3
123.08059	2.3
123.11674	4.4
125.09601	1.3
129.06970	0.7
131.08559	17.1
133.10123	15.1
135.08083	1.2
135.11679	37.6
137.09602	2.4
137.13229	2.0
139.07530	0.7
139.11176	1.2
145.10123	17.9
147.11687	11.6
149.09636	1.4
149.13249	30.4
151.11111	1.2
151.14842	0.9
159.11676	11.7
161.13237	14.5
163.11118	0.7
163.14804	20.7
165.12714	2.1
173.13234	11.3
175.14795	6.1
177.16364	7.6
179.14305	2.2
184.44612	0.6
187.14799	9.3
189.16388	1.5
201.16365	3.7
205.15688	0.7
215.17912	2.7
219.17445	0.9
233.22667	1.4
243.21066	35.4
246.13930	0.8
261.22116	100.0
262.14352	1.4
262.22565	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.1
53.03931	3.2
55.01850	1.3
55.05505	15.8
57.07066	7.0
65.03941	2.8
67.05499	50.7
69.06709	1.4
69.07057	15.6
71.04977	3.4
71.08629	1.2
71.34463	1.5
79.05484	74.1
81.03405	1.2
81.07049	61.9
83.04944	1.8
83.08600	9.0
85.06551	5.5
91.05471	38.0
93.02699	0.8
93.07035	91.3
95.04961	8.0
95.08598	43.6
97.06525	5.6
97.10156	2.4
99.08082	3.5
105.07015	23.6
107.08584	54.0
109.06494	3.2
109.10153	17.6
111.08102	5.1
115.48650	0.9
117.07012	8.0
119.08563	17.9
121.10133	48.6
123.08031	1.6
123.11681	5.8
131.08554	20.6
133.10115	16.5
135.11679	40.4
135.12703	2.2
137.09592	2.8
137.13261	2.0
145.10109	19.2
147.11670	13.3
149.09627	2.1
149.13242	25.2
151.11108	1.1
151.14803	1.1
159.11688	11.5
161.13229	13.8
163.11128	1.9
163.14801	21.0
173.13248	11.8
175.14845	6.0
177.16393	7.3
179.14304	1.8
187.14815	8.7
191.14270	1.0
201.16380	3.3
211.72366	1.1
215.17949	2.5
217.19447	1.3
233.22571	2.8
243.21062	34.1
261.22119	100.0
262.14374	2.9
262.22549	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03928	5.3
55.05509	15.7
57.07068	11.0
65.03951	1.9
67.05499	45.9
69.07065	16.5
71.04956	2.6
71.08615	3.0
71.22181	2.8
79.05486	62.1
81.07050	52.8
83.04978	3.5
83.08613	8.7
85.06518	6.9
85.10132	2.1
91.04963	3.0
91.05482	35.9
93.07038	70.5
95.04977	7.4
95.08597	43.1
97.06518	9.7
97.10131	2.5
99.08063	4.7
105.07018	28.5
107.08588	49.0
109.06488	7.3
109.10140	19.8
111.08082	4.6
113.57341	1.6
117.07014	13.2
119.08584	22.2
121.10129	40.7
123.08038	3.3
123.11692	5.2
131.08559	35.5
133.10126	18.4
135.08035	2.4
135.11679	31.7
137.13293	1.7
145.10115	24.4
147.11696	15.8
149.09590	3.3
149.13229	22.8
151.11198	2.4
153.12764	1.8
159.11674	17.3
161.13251	14.6
163.11137	2.1
163.14822	16.8
165.12730	2.5
173.13274	18.6
175.14828	5.7
177.16327	7.9
187.14793	12.3
201.16342	7.6
215.17949	3.1
217.19591	5.4
233.22583	1.9
243.21069	68.0
261.12787	2.2
261.22125	100.0
262.14496	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	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99463	0.7
51.02380	0.9
53.03936	2.6
55.01862	1.1
55.05258	1.2
55.05507	16.1
56.69822	0.7
57.03431	2.0
57.07068	5.4
58.57679	0.7
65.03925	2.2
67.05502	47.2
69.06713	1.3
69.07063	15.3
69.34342	0.9
69.34696	8.5
71.04972	3.7
71.08610	1.4
77.09264	0.8
79.05489	67.9
81.07052	54.5
83.04945	0.9
83.08614	9.0
85.06529	4.4
91.04888	1.3
91.05476	33.9
93.07038	83.8
95.04964	7.3
95.08600	41.9
97.06502	4.0
97.10157	2.6
98.35867	0.9
99.08089	4.7
105.04536	0.9
105.06303	1.0
105.07021	24.0
107.08588	56.2
109.06511	2.2
109.09444	1.3
109.10155	19.5
111.08070	3.6
111.11744	0.8
113.09648	1.2
117.06992	8.4
119.08573	17.5
121.10138	50.4
123.08055	2.0
123.11689	6.3
125.09666	1.6
131.08560	18.4
133.10126	14.8
135.11687	42.5
137.09598	1.5
139.11122	1.3
145.09027	1.4
145.10104	17.9
147.11687	13.5
149.09555	0.8
149.13246	33.2
151.11104	1.1
151.14774	1.0
153.12720	0.9
159.11700	12.4
161.13261	13.3
163.14824	21.5
167.67169	0.7
172.95209	0.9
173.13263	12.8
175.14810	5.5
177.16440	5.8
179.14272	1.5
187.14809	8.4
201.16386	3.1
204.13847	1.6
205.14159	4.7
205.15828	1.4
215.17906	1.9
233.22629	2.1
243.21065	35.0
261.22128	100.0
262.22495	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03926	2.5
55.01859	1.0
55.05503	14.9
55.54581	0.4
56.07787	0.5
57.03431	1.7
57.07065	4.0
65.03928	1.6
67.05495	42.2
68.56313	0.4
69.07056	12.1
70.86034	0.9
70.86386	0.6
71.04990	3.1
71.08623	1.1
77.03920	0.9
79.05482	60.7
81.07045	54.3
81.54315	0.4
83.04976	1.2
83.08601	7.5
85.06528	3.9
85.10188	0.7
91.04887	1.1
91.05468	29.8
93.07030	78.2
95.04959	6.6
95.08592	38.6
95.09222	1.0
97.06520	4.6
97.10163	3.0
99.08077	3.2
103.05429	0.5
105.04507	1.2
105.07017	19.6
107.08578	53.0
108.08886	0.5
109.06493	2.5
109.10140	16.5
111.08084	3.3
113.09646	1.2
115.05416	0.8
117.07014	7.4
119.06116	0.5
119.08562	16.7
121.10125	43.9
123.08065	1.5
123.11690	4.3
125.09629	1.4
127.11150	0.6
131.08553	15.0
133.10106	13.4
133.11069	0.8
135.08055	0.7
135.11668	37.3
137.09613	2.2
137.13225	1.5
139.11145	0.9
143.08560	0.6
145.10098	16.6
147.11659	12.6
149.09601	0.8
149.13239	30.2
151.11192	1.4
151.14798	0.6
153.12727	1.0
159.11668	13.1
161.13237	11.7
163.11162	0.9
163.14795	20.4
165.12727	1.8
173.13243	11.3
175.14807	5.4
177.12747	0.9
177.16360	5.2
179.14255	1.6
187.14812	7.2
189.16406	0.6
191.14270	0.7
191.17908	0.5
193.15955	0.6
201.16389	3.4
203.17972	0.7
205.15845	1.3
215.17958	2.0
217.19431	0.6
233.22635	1.3
243.18449	0.8
243.21045	32.3
261.22101	100.0
262.22498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.81705	0.7
53.03930	2.5
55.05256	0.9
55.05507	14.5
57.03411	1.8
57.07076	4.5
65.03929	2.1
67.05499	45.0
69.06721	1.0
69.07065	14.6
70.85758	1.5
71.04978	3.2
71.08619	1.1
72.61404	0.5
79.05486	59.2
81.07050	52.5
83.04941	1.0
83.08615	8.1
85.06540	4.1
91.04890	1.4
91.05470	33.8
93.07035	78.0
95.04955	7.4
95.08601	39.0
97.06536	3.7
97.10152	3.0
99.08092	4.7
103.05472	0.6
105.04487	1.2
105.06304	0.7
105.07023	19.1
107.08586	53.0
109.06517	3.7
109.10148	16.2
109.10773	0.3
109.10893	0.6
111.08077	3.8
113.09640	2.1
116.45985	0.6
117.06999	7.3
119.08580	15.5
121.10133	46.1
123.08041	1.3
123.11682	5.4
125.09599	0.9
129.06886	0.7
130.32007	0.6
131.08551	14.6
133.10121	15.6
135.08072	0.7
135.11678	37.7
137.09612	2.5
137.13213	1.8
143.08617	0.8
145.10109	15.9
147.11665	12.2
149.09569	0.9
149.12048	1.5
149.13240	30.1
151.11142	1.7
151.14803	1.7
153.12769	1.2
159.11679	9.9
161.13239	14.0
163.14815	20.8
165.12711	1.8
173.13246	11.9
175.14801	5.8
177.16377	5.8
179.14290	1.9
187.14786	8.6
187.16249	1.0
189.16380	0.9
191.14311	0.6
201.16330	4.1
209.34933	0.7
212.04910	0.6
215.17928	1.7
219.17410	1.2
233.22662	1.6
243.21065	33.1
244.21452	0.7
261.22116	100.0
262.22388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1445
Annotation	Gamma-Glu-Leu
Peak:m/z	Relative Intensity
55.05493	0.8
55.93518	0.5
56.05027	3.3
56.96553	1.9
60.04497	0.7
69.03427	0.8
69.07057	1.6
70.06585	3.6
70.82600	1.2
70.82935	0.5
71.18904	0.4
72.08146	2.7
73.02915	0.5
81.07061	0.7
83.05011	0.6
83.06118	0.6
84.04499	38.2
84.08141	7.0
85.02910	2.1
85.08453	1.6
86.06055	2.2
86.09698	100.0
87.09999	0.5
88.03996	1.5
90.94829	0.9
91.05470	0.9
93.06999	0.6
95.05013	0.5
95.08543	0.5
97.02895	1.0
97.06514	0.7
98.97591	1.2
102.05533	4.4
102.48038	0.5
107.04971	0.4
110.07182	1.7
114.05544	1.5
116.98651	1.1
119.04881	0.6
120.08076	2.9
120.52480	0.4
124.20950	0.5
128.98599	0.4
129.10260	1.9
129.95708	0.4
130.04996	7.3
130.06549	0.7
132.10193	29.0
132.95844	0.9
134.99706	0.6
142.04979	3.0
144.08115	1.5
146.99643	0.6
147.04379	0.9
148.06036	6.8
150.96944	0.8
152.10690	0.7
159.09167	1.0
166.27458	0.4
169.08656	1.5
170.06017	0.9
170.11858	0.9
171.04424	0.6
178.03561	0.6
183.11356	0.6
198.11278	6.8
218.97519	0.6
237.02747	0.7
244.11786	6.4
261.07550	0.6
261.14749	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	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89135	0.4
51.02356	0.5
53.00294	0.4
53.03932	2.5
55.01858	1.1
55.05505	14.2
56.14273	0.6
56.96570	0.7
57.03123	0.4
57.03425	1.8
57.07070	4.3
59.04983	0.8
59.18754	0.4
65.03922	2.0
65.04251	0.5
67.05496	47.4
69.07059	14.9
70.03863	2.2
70.18348	0.5
71.04984	2.5
71.08608	1.7
77.03905	1.3
79.05482	66.8
81.03393	0.8
81.07046	54.7
83.04944	1.2
83.08607	6.9
85.06510	3.3
91.04881	0.9
91.05470	34.2
93.07030	86.3
95.04955	7.2
95.08594	40.6
97.06506	3.7
97.10143	3.2
99.08075	4.2
103.05478	0.5
104.49824	0.5
105.04514	1.2
105.07015	24.6
105.89968	0.5
107.08579	57.5
109.06512	2.8
109.10136	14.9
111.08065	4.3
111.11706	0.7
113.09627	1.8
113.68569	0.5
114.23550	0.5
117.06995	7.0
119.08566	18.9
121.10128	48.3
122.10609	0.5
123.08057	2.0
123.11694	5.4
125.09603	1.3
129.06999	0.8
130.07742	0.7
131.08556	17.7
133.10114	14.7
133.10889	0.3
135.08081	0.7
135.11673	36.0
137.09592	1.8
137.13239	1.6
139.11113	1.0
145.09219	0.4
145.10101	16.5
147.11670	13.4
149.09566	1.6
149.13239	29.7
151.11156	0.8
151.14777	1.0
153.12724	0.7
159.11664	10.4
161.13234	14.4
163.11195	0.9
163.14801	23.4
165.12729	1.5
171.11711	0.6
173.13225	11.0
175.14833	4.9
177.12706	0.7
177.16336	6.6
179.14293	1.7
187.14793	7.9
189.16328	0.8
194.50604	0.5
201.16336	3.0
203.17928	0.6
205.15784	1.1
215.17914	1.9
217.19353	0.6
219.17407	1.2
233.22615	2.1
243.21057	33.8
249.47043	0.5
252.46210	0.6
261.22095	100.0
262.22519	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	261.1444
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
55.05500	1.4
56.05037	3.6
56.96555	6.2
58.06580	0.7
60.04516	1.5
67.05497	1.2
69.03438	1.1
69.07056	2.1
70.06595	4.6
70.27267	2.4
72.08156	4.5
73.08482	0.8
74.06068	0.8
75.36618	0.5
79.05493	0.7
84.04498	15.1
84.08137	16.4
84.96011	0.5
85.02899	2.5
85.03985	0.6
85.04798	0.5
85.08472	7.4
86.06102	0.7
86.09698	100.0
87.10056	1.3
88.04001	0.8
91.08837	0.6
97.02871	0.7
97.06470	0.6
98.06033	0.9
98.97588	2.6
102.01802	1.4
102.05530	10.4
103.05885	2.0
107.04964	0.7
107.97733	0.6
110.07149	2.6
110.97579	0.6
112.99123	0.8
116.07092	2.0
116.98594	1.6
119.01875	0.6
120.08111	0.7
124.07615	1.3
126.09158	1.3
126.12783	0.6
128.98615	0.9
129.10201	3.1
130.04988	6.3
130.08620	2.9
130.10550	1.0
131.00177	1.7
132.10211	1.4
132.95834	0.9
133.03221	0.6
134.99667	1.4
143.11812	0.6
144.12091	0.6
144.13821	2.0
145.10587	0.7
146.99559	1.0
147.07689	0.8
147.11266	2.2
148.02267	1.2
148.06038	20.6
148.11621	1.3
149.01233	1.2
150.05858	0.7
150.96858	1.2
154.08582	1.3
157.46509	0.6
158.04329	0.8
158.99637	1.3
159.04900	0.8
161.01215	1.1
165.00829	0.6
167.08078	1.2
169.01100	0.8
173.01253	2.2
175.02850	1.0
177.00760	1.4
177.12335	1.3
189.00735	1.0
191.02295	2.7
193.00229	0.9
193.03853	0.7
197.12831	2.6
200.09276	0.8
201.00748	2.2
215.13791	1.0
219.01714	4.5
229.03265	1.5
237.02844	2.3
243.04750	1.2
243.13380	2.1
244.17401	1.1
261.03000	1.0
261.05844	18.6
261.09326	3.5
261.11771	1.3
261.14539	7.8
261.17752	1.3
261.20001	1.9
262.06094	1.1
267.38107	0.5
279.03751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
56.05029	2.4
56.96553	7.3
57.03414	0.9
58.06594	1.4
60.08141	2.3
69.07057	4.6
70.06582	5.7
70.76016	0.9
70.76366	2.4
72.08150	7.6
72.93771	2.2
73.08473	1.8
81.03360	0.9
84.04500	14.2
84.08134	25.2
85.02892	1.9
85.07745	0.8
85.07964	1.2
85.08450	10.2
86.06044	1.4
86.09696	100.0
87.10028	2.7
97.02911	0.9
97.06580	0.9
98.97589	5.4
102.05537	3.8
110.07150	1.8
110.67815	0.8
114.17268	0.9
116.98621	3.9
119.01900	1.2
121.01593	1.0
126.09116	1.0
128.98584	2.8
129.06573	1.1
129.10239	4.0
130.04984	6.7
130.08636	2.2
130.10562	1.2
131.00172	2.4
132.10162	1.6
132.95793	2.6
134.99634	2.5
146.99593	1.4
147.07642	1.2
147.11281	2.2
148.06021	18.3
148.11554	1.1
149.01224	3.1
150.96919	1.5
153.00648	1.0
154.08621	2.0
161.01195	1.5
169.01083	3.4
170.99585	1.2
177.00711	2.7
191.02299	1.0
197.12833	2.7
200.09062	1.5
201.00655	1.5
201.04076	1.0
214.06313	0.8
215.13893	1.6
219.01773	3.9
222.86790	0.9
225.20245	1.0
229.03191	10.6
237.02754	2.7
243.04758	4.2
243.13344	3.5
244.17343	2.1
261.05789	87.5
261.09363	6.3
261.14297	9.7
261.20282	5.0
262.06308	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	261.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96290	0.3
56.96557	5.4
60.95846	0.7
70.44803	0.6
71.95238	0.5
74.97590	0.3
75.94562	0.3
81.37645	0.3
84.96023	0.4
91.27989	0.3
98.97571	12.9
100.97182	0.3
101.00859	1.0
102.96850	1.6
105.06967	0.3
116.98609	17.7
117.98949	0.4
118.98212	0.6
119.01910	8.7
120.01970	0.4
120.97878	2.0
121.01672	0.3
128.98570	0.6
134.99643	19.4
137.00098	0.6
137.02954	4.3
138.98924	3.3
140.00148	0.4
143.00171	0.4
146.99632	0.6
149.04874	0.4
153.00685	4.5
156.98615	0.3
156.99969	0.8
158.01253	0.6
158.99680	1.4
160.99908	0.3
161.01195	1.1
161.02927	0.6
173.01169	0.6
176.02304	0.3
177.00925	17.7
178.01050	0.7
179.00783	1.0
181.07036	0.3
182.99948	0.4
189.00706	1.0
191.02161	0.6
193.04149	0.5
193.07448	0.3
194.94653	0.4
195.01907	1.0
201.00833	1.4
212.95801	0.4
217.04080	2.6
218.03580	0.9
219.01959	25.1
220.02118	0.8
221.01756	3.8
222.01877	0.7
225.00815	2.1
235.99893	0.6
236.99187	0.4
237.02843	1.3
237.98654	1.1
238.98373	0.7
242.03532	0.5
242.98421	0.5
243.01950	6.7
260.04514	0.6
260.99756	5.4
261.03018	100.0
262.03104	4.7
262.95947	0.3
271.08609	0.4
275.04626	0.3
278.96814	3.9
279.00586	12.4
279.03741	0.6
284.04617	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	260.1968
Annotation	Lys Leu
Peak:m/z	Relative Intensity
55.05508	0.3
56.04775	0.2
56.05032	2.9
56.96571	1.0
57.03431	0.3
60.04517	0.2
61.02923	0.2
67.05501	1.1
68.05011	0.2
69.03423	0.2
69.07066	0.9
70.06588	1.2
71.58967	0.1
72.08153	0.9
73.02905	0.1
74.97594	0.2
82.06583	0.1
83.06094	0.6
84.04503	3.8
84.08138	100.0
85.02898	0.5
85.06546	0.5
85.08466	0.7
86.09699	10.8
87.10025	0.2
95.04916	0.2
97.02872	0.3
97.06512	0.2
98.97593	0.4
100.04025	0.2
101.07130	0.4
101.10773	2.3
102.09168	0.4
106.02827	0.3
112.05108	0.2
112.07608	0.5
112.08700	0.2
112.99107	0.2
113.03474	0.4
114.09181	0.2
116.07066	0.4
116.98614	0.4
119.01884	0.2
122.64554	0.2
126.09095	0.1
128.04532	0.2
128.98582	0.2
129.10234	9.8
130.04996	5.9
130.08629	4.3
131.00166	0.3
132.10196	0.4
133.01767	0.1
134.99570	0.2
136.07538	0.3
141.10167	0.2
146.99643	0.2
147.07642	5.6
147.11273	7.2
149.01196	0.5
150.96901	0.2
152.14316	0.4
154.08604	0.4
157.04402	0.2
161.12842	0.3
165.00665	0.2
178.04878	0.3
180.13744	0.3
187.00201	0.2
197.16454	0.6
200.08978	0.2
205.01428	0.2
225.15994	0.3
226.14311	0.3
229.03171	1.6
237.02823	0.2
242.14931	0.2
242.18515	0.5
243.04773	0.4
243.13327	0.3
243.17033	5.5
260.11130	0.3
260.15512	0.3
260.16861	0.5
260.19684	10.6
261.05786	4.5
261.09396	2.7
261.20016	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	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.48885	1.7
52.67183	1.8
53.70607	1.9
55.05505	10.0
57.07054	4.1
67.05492	10.7
69.07063	35.7
71.04993	24.7
71.05875	5.5
74.34128	2.1
79.05476	4.8
81.07051	14.9
83.04984	4.1
83.08601	6.2
85.06540	23.6
88.81977	2.2
90.32695	1.8
91.05453	10.1
92.02026	2.1
93.07040	12.9
95.04936	2.9
95.08601	18.5
97.06525	3.3
105.07025	21.5
107.08588	18.1
109.06495	7.9
109.10150	14.8
111.08064	8.9
117.07017	7.7
118.75170	1.9
119.08570	51.4
120.09336	1.8
121.10152	14.6
123.11704	21.6
129.06985	2.7
131.08566	13.3
133.10115	32.4
135.08025	8.8
135.11690	4.9
137.09621	5.4
143.08565	6.8
145.10107	33.2
147.11662	17.1
149.09621	2.5
155.10078	1.9
156.09286	2.3
157.10103	10.2
159.11684	31.9
160.12421	3.4
161.13242	33.2
163.11124	2.2
170.10835	3.1
171.11722	17.4
173.13242	11.7
175.11192	6.8
175.14813	94.2
176.15448	4.1
177.12769	4.5
177.16359	2.9
185.13255	14.4
189.12666	4.2
189.16345	8.3
190.13455	2.9
199.14745	4.9
201.16376	26.6
203.14320	9.6
215.17924	6.8
217.19461	3.3
241.19458	16.1
241.27791	2.0
258.58633	1.8
259.20538	100.0
260.20734	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	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03932	3.6
54.85140	1.3
55.01871	1.7
55.05299	1.2
55.05510	13.8
57.07056	4.5
59.67083	1.4
65.80173	1.5
67.05497	20.2
69.03431	1.3
69.07071	12.1
69.29498	1.9
69.29900	11.6
73.05964	1.1
79.05488	24.2
81.07050	20.0
83.08608	5.6
85.06505	1.2
90.25813	1.4
90.33524	1.1
91.05473	44.9
93.07036	18.2
95.04952	3.3
95.08597	16.9
97.06536	7.0
97.10145	3.1
99.08093	2.3
103.05444	1.8
105.03391	8.1
105.07022	80.0
107.08583	9.6
109.10150	5.4
115.05463	2.4
117.07014	44.5
118.50458	1.2
119.08571	49.4
121.10134	8.2
123.11665	1.2
128.06203	5.5
129.07005	18.1
130.07796	2.8
131.08559	41.6
133.10123	38.8
135.11693	5.7
137.09595	1.5
141.40518	1.4
142.07771	3.1
143.08536	24.3
144.09247	1.3
145.10112	34.3
145.11253	2.0
147.11676	28.0
149.09581	2.1
149.13268	2.9
156.09274	2.5
157.10144	16.2
159.11678	50.0
161.02229	1.5
161.13234	24.2
163.03825	1.6
163.11148	1.6
171.11702	23.1
173.13251	35.3
173.14687	2.7
175.14798	9.3
184.12433	1.5
185.13252	19.2
187.14806	3.2
189.12868	1.4
199.14801	15.5
213.16402	2.6
215.06984	2.4
215.18024	3.3
215.22650	1.2
231.21069	3.7
241.17244	2.1
241.19516	30.4
259.20551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05512	10.2
57.07070	3.6
59.90054	1.5
67.05509	10.5
69.07063	35.1
69.52267	4.1
69.52674	11.0
71.04990	26.2
79.05472	7.5
81.07059	19.8
83.04958	5.0
83.08599	6.4
85.06539	22.5
91.05481	11.7
93.07041	16.9
95.04937	2.3
95.08611	21.3
97.06500	6.1
97.10158	2.0
98.21599	1.9
99.08096	2.8
100.09321	1.6
105.03378	4.0
105.07034	29.4
107.08596	20.5
109.06535	9.9
109.10141	13.8
111.08096	10.2
117.03429	1.5
117.07011	9.7
119.08581	62.0
121.10134	13.1
123.08067	1.9
123.11707	20.7
125.09604	2.2
129.06996	4.1
130.07768	2.4
131.08554	18.5
133.09123	2.3
133.10124	42.9
135.08067	11.6
135.11671	6.7
137.09595	5.9
137.13203	1.9
139.20050	2.0
142.07756	5.3
143.08545	7.6
144.09283	3.3
145.10121	40.0
147.08041	1.9
147.11682	20.8
149.09622	4.0
156.09375	2.3
157.10126	17.8
159.11684	31.0
160.12422	4.9
161.13251	37.3
163.11139	3.0
170.10918	2.3
171.11664	17.6
173.13304	11.0
175.11177	6.3
175.14824	87.1
176.15555	4.6
177.12805	3.4
177.16386	5.1
185.13226	17.1
189.12708	3.8
189.16376	6.3
190.13504	3.0
191.14235	2.8
199.14799	6.4
201.16393	26.3
203.14247	8.8
215.17924	6.9
217.19525	5.6
225.15564	2.0
226.17197	1.7
229.16130	2.1
230.71773	2.1
241.19547	18.9
259.20569	100.0
270.23004	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	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	11.3
67.05503	9.3
69.07073	36.6
69.37881	9.3
69.38286	39.2
71.04975	17.7
75.07194	5.2
81.07043	20.4
83.08616	5.7
85.06548	14.6
91.05483	11.0
93.07039	17.1
95.04927	7.6
95.08611	19.0
97.06501	6.7
104.02073	4.6
105.03387	18.3
105.07061	23.4
107.08602	18.5
109.10152	10.2
111.08051	7.3
117.07018	5.2
119.08565	53.0
121.10137	15.7
123.11726	23.2
130.07800	5.8
131.08556	14.4
133.10106	29.5
135.08047	13.6
143.08621	5.2
145.10139	37.4
147.11697	24.7
157.10100	14.2
159.11688	32.3
161.13255	35.1
171.11699	20.5
173.13255	11.3
175.14822	86.4
185.13318	16.2
199.14833	7.4
201.16393	23.0
203.14209	9.3
229.16103	5.5
241.19507	15.5
259.17392	6.1
259.20590	100.0
270.69534	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	259.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03313	0.4
53.03944	3.0
55.01867	1.9
55.05507	44.4
56.05031	7.9
56.48474	0.5
56.96570	1.1
57.03450	0.8
58.99586	4.1
67.05500	1.1
68.05036	1.5
69.03425	32.1
69.07069	0.7
70.02952	1.2
70.06587	3.0
70.59307	1.4
70.99578	4.0
71.04982	2.4
72.08150	1.5
73.01131	0.9
73.06551	97.9
73.58821	0.5
74.06872	0.8
76.03996	1.2
79.05491	4.7
80.05009	1.2
81.03409	11.5
81.07040	2.9
82.06558	0.6
84.04505	2.1
84.08137	4.2
85.01131	3.0
85.02902	12.5
86.00635	2.9
86.09689	2.9
86.99055	1.5
87.02703	2.1
88.02219	1.0
91.05469	0.9
93.07050	0.7
93.97512	0.5
94.06569	2.2
95.04942	0.8
96.08134	1.0
97.01102	1.2
97.02891	7.5
98.06062	0.6
98.09688	16.3
99.04446	6.4
100.02190	0.7
101.06009	100.0
102.05538	3.2
102.06174	0.4
105.07014	1.0
108.08115	0.9
109.01234	0.4
109.02862	4.2
110.09670	1.7
111.02644	1.8
112.03970	1.3
112.08642	0.5
113.02359	1.5
113.04218	7.6
114.03727	0.8
115.03907	0.6
116.01661	5.5
116.98559	0.8
120.08070	1.2
122.09633	1.9
127.03931	6.8
128.08208	0.6
129.10242	1.5
130.05003	1.5
130.06816	1.9
130.08607	1.2
131.07028	1.7
139.05750	3.8
140.02249	0.5
141.07008	0.6
143.02629	0.9
144.01149	1.3
145.04973	1.9
145.06001	0.8
150.96870	0.5
156.08427	11.2
156.10194	9.7
157.08597	1.4
159.06572	0.6
162.02203	2.6
169.06461	0.9
169.08611	1.2
176.08044	0.5
176.98398	0.5
181.08620	1.5
187.06003	3.5
187.07463	0.9
189.03262	0.7
197.05910	0.6
199.07741	0.5
199.09525	2.6
200.04677	1.1
200.12834	0.8
215.06941	1.7
215.08992	0.8
216.06886	3.4
242.08351	1.2
259.11313	36.0
259.17474	1.7
260.11609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.4
53.03938	3.1
55.01885	1.2
55.05508	44.7
56.05032	6.4
56.96564	0.7
57.03434	1.4
57.07067	0.5
58.99583	2.5
60.64473	0.4
61.01145	1.0
61.02917	0.8
67.05516	1.4
68.05030	1.6
69.03426	35.6
69.07070	1.2
69.99548	2.5
70.02934	0.7
70.06586	2.2
70.99577	2.1
71.04980	2.3
72.08116	1.0
72.93804	0.7
73.06551	100.0
74.00686	0.6
74.02428	0.6
76.04023	0.9
79.05480	4.8
80.05036	0.9
81.03413	10.3
81.07064	2.7
82.06559	0.9
83.04996	0.9
83.08545	0.5
84.04510	1.6
84.08138	2.5
85.01121	4.2
85.02899	11.7
86.00651	2.3
86.06069	0.5
86.09682	2.4
86.99065	1.7
87.02691	1.3
88.02211	0.8
91.05479	0.9
93.07018	0.7
94.06576	1.0
94.16656	0.5
95.04961	1.2
95.08601	0.8
96.08131	1.4
97.01113	1.4
97.02895	7.9
97.06564	0.7
98.09686	14.0
99.02668	0.7
99.04456	6.4
101.06011	95.6
102.05547	1.7
102.06279	0.9
105.07040	1.0
108.08151	0.9
109.02869	4.3
110.09687	1.4
111.02682	1.7
112.03952	1.7
113.02370	1.4
113.04214	5.0
115.03928	1.3
115.07568	0.6
116.01671	5.5
119.04905	0.6
120.08134	0.6
122.09660	2.3
127.03928	5.7
127.05807	0.5
128.08160	0.7
129.10220	0.6
130.04988	1.2
130.06783	1.6
130.08646	1.1
131.07082	1.2
139.05756	4.2
143.03481	1.0
144.01160	1.6
144.08264	0.5
145.04967	2.4
145.06047	1.0
147.04443	0.6
154.12233	0.6
156.08430	10.0
156.10202	7.1
157.08623	1.2
158.97377	0.9
159.06479	0.9
161.05879	0.6
162.02208	3.2
167.05200	0.7
169.06448	1.3
169.08615	1.4
174.96916	0.5
181.08624	1.9
184.08008	0.8
187.06036	3.6
187.07492	0.9
189.03287	0.9
195.07991	0.6
197.06009	0.9
199.09610	3.1
200.04645	0.9
200.12863	0.9
201.05527	0.5
213.10666	0.6
215.07060	1.6
215.08989	0.6
216.06958	1.7
241.08592	0.5
242.08598	1.1
259.11353	29.5
259.17358	1.0
260.11548	0.5
272.18756	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	259.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03927	0.9
55.01866	5.7
55.05503	1.0
57.03429	2.0
67.05502	4.4
69.03416	1.4
69.07063	14.5
69.31650	0.5
69.69052	3.2
69.69466	0.8
77.03923	0.9
77.89948	0.5
79.05053	1.1
79.05491	14.1
81.03419	0.5
81.07029	0.6
83.56933	0.5
85.01128	0.8
85.65864	0.5
89.03906	6.4
91.05438	1.0
93.07032	0.6
95.04961	2.6
97.06525	100.0
98.20786	1.1
103.05479	0.7
105.03382	1.4
107.04967	1.3
115.05386	0.6
117.03379	6.2
119.04955	1.3
130.04997	0.5
131.04930	0.8
131.08575	1.0
133.02834	4.7
135.04408	9.6
145.02837	6.8
147.04425	0.9
153.70714	0.5
159.04410	4.9
159.08022	0.6
161.02338	15.5
163.03899	39.2
169.06523	0.7
173.02335	44.9
174.02505	0.5
175.03922	1.2
185.05989	2.2
186.03156	1.1
187.03876	1.4
187.07562	1.3
189.05301	0.7
195.08139	0.7
215.07014	44.9
216.07442	0.7
241.08621	1.3
259.09625	18.0
261.85098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0824
Annotation	Posoquenin
Peak:m/z	Relative Intensity
53.03936	0.4
55.01864	1.8
55.05499	1.5
56.05030	9.6
56.96558	0.3
57.07055	1.0
57.46666	0.3
58.99582	2.6
60.04527	0.3
61.01133	0.5
65.03952	0.4
66.51944	0.3
67.05498	0.7
68.05027	1.7
69.03411	0.4
69.07053	0.5
69.35728	3.5
70.02941	1.5
70.06583	1.9
70.99570	1.1
72.08147	1.9
73.01138	0.7
74.02426	0.8
76.02217	0.4
76.03996	0.8
79.05478	2.7
80.05002	0.8
81.07059	1.8
82.06589	0.6
83.04967	0.4
84.04507	2.5
84.08139	4.1
85.01133	4.2
85.02898	0.4
85.06552	0.4
86.00643	2.7
86.09700	1.6
86.99046	1.4
87.02679	1.7
88.02191	0.8
89.81064	0.3
91.05481	1.2
94.06558	1.2
95.04964	0.8
95.08533	0.4
96.08133	1.1
97.01115	1.4
97.02880	0.4
97.06499	0.4
98.09688	13.4
99.05563	0.4
100.02193	0.6
100.11254	0.4
102.05534	2.9
104.04979	0.6
105.07036	1.0
106.06557	0.9
108.08112	0.9
109.08929	0.5
110.09669	2.4
112.03942	1.6
113.04220	6.3
113.04943	0.5
114.03770	0.6
114.05526	0.4
115.05659	0.3
116.01664	6.2
116.04982	0.4
118.05282	1.1
118.06532	0.4
119.04900	0.9
120.08109	0.9
122.09675	1.5
128.04964	0.8
129.06955	0.3
129.10226	1.0
130.05019	1.2
130.06845	1.5
130.08656	1.6
131.05066	0.5
131.06047	2.9
131.08565	0.3
133.07576	2.9
138.09158	0.4
139.05713	0.6
141.06972	0.7
143.02719	0.7
143.06044	0.9
144.01138	0.9
144.05688	0.4
145.06161	1.2
146.06007	1.5
147.04411	1.7
147.50304	0.4
156.08430	8.7
156.10205	11.3
158.07117	4.1
161.06079	0.4
162.02205	1.7
167.51143	0.3
169.06503	1.5
170.07129	8.7
174.06599	0.5
184.07874	0.4
187.07527	0.9
188.08177	37.0
189.03239	0.7
190.09746	0.5
195.08040	0.7
197.05997	1.0
198.06670	0.7
200.04707	1.2
202.06287	0.3
204.07626	0.4
206.09244	1.1
213.07536	0.6
214.06085	14.4
215.05592	1.5
215.07050	1.8
216.06848	3.8
229.07172	0.5
230.07983	0.5
231.08784	1.2
232.07146	33.8
234.08800	1.9
235.99345	0.4
241.07277	1.0
242.08455	1.3
242.17543	0.5
246.28630	0.4
259.08301	100.0
259.11084	19.4
260.06345	0.6
260.08829	1.6
281.79044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.7
56.96571	3.7
57.03428	1.7
67.04385	1.8
68.30281	1.6
69.03416	2.8
69.07056	2.9
70.06583	7.9
70.62254	3.2
70.62644	2.5
72.08131	5.2
73.06505	1.6
81.04533	2.9
81.07057	2.2
84.04490	4.2
84.08143	11.7
85.02885	2.2
86.09698	4.2
87.83605	1.5
93.06975	1.8
95.06073	1.8
97.06506	2.0
98.09704	1.5
107.04942	2.4
116.37535	1.8
116.98594	2.8
125.07077	3.1
129.01810	1.9
129.10202	3.7
130.04973	1.5
130.08655	3.9
131.17387	1.6
134.99657	1.8
137.20630	1.7
138.05457	3.7
143.08109	1.9
152.84521	1.5
159.50569	1.8
163.04001	1.8
176.19237	1.6
184.41951	1.5
202.23648	2.0
211.02846	1.5
217.09283	2.1
231.03165	1.7
231.06450	2.2
241.15593	2.6
259.04224	100.0
259.16589	7.7
259.20337	2.1
274.12726	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	259.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66044	1.2
53.63054	1.3
55.01868	1.6
55.05487	3.4
56.05013	4.7
56.96558	17.3
57.03432	2.4
58.06568	1.6
60.05618	1.7
61.02915	2.3
66.35153	1.5
66.78316	1.3
67.04234	2.4
67.11320	1.4
68.05013	1.7
69.03410	4.5
69.07048	2.3
70.00133	5.9
70.06589	17.3
70.98117	1.9
71.04964	3.3
72.08153	13.1
72.93764	1.7
73.02886	3.0
73.08482	2.1
74.00658	2.5
74.06102	2.4
77.00893	1.8
81.03385	1.4
83.06077	2.0
84.04487	12.9
84.08138	30.0
85.02903	7.2
85.08463	3.0
86.06059	2.5
86.09698	19.5
97.02309	2.1
97.02883	4.5
98.06049	2.5
98.97547	4.2
100.01557	2.7
100.02195	41.9
101.00839	1.7
102.05534	21.9
103.05840	2.0
106.02831	1.7
110.97549	1.5
112.11224	1.7
112.99125	3.1
114.09145	2.1
115.03342	1.7
116.07092	3.0
116.98589	5.0
119.01918	10.5
126.99934	1.5
127.04028	1.8
128.98587	3.3
129.10236	11.1
130.04991	5.2
130.08652	3.0
131.00179	6.7
131.01839	2.6
133.03412	5.4
134.99670	3.4
137.02950	5.8
139.00011	4.4
139.04955	1.7
146.02689	42.4
146.99684	4.0
147.11279	1.6
148.03816	2.7
149.01195	4.3
149.02992	1.6
150.96890	1.9
151.04544	1.8
153.06447	1.4
156.03633	1.6
158.04495	2.0
158.99622	3.0
162.57217	1.4
164.02287	2.0
165.00806	1.6
169.04398	5.2
169.06044	3.8
174.99187	4.1
175.00880	8.2
175.11978	1.6
177.00653	12.9
178.04880	7.4
189.00922	1.5
189.02414	5.4
191.03859	1.7
193.00188	5.5
193.01903	3.0
193.03716	1.6
195.01825	5.0
199.02116	21.0
211.04817	3.3
213.06921	6.9
217.00127	3.2
217.01936	6.9
217.03688	1.6
223.07243	2.3
234.04147	1.5
235.01221	5.5
235.02966	4.8
235.04941	5.3
241.03169	11.9
242.10020	1.5
259.04263	100.0
259.07266	9.3
259.13123	3.5
259.16602	4.5
260.04623	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	258.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08569	1.4
55.05490	2.2
55.93517	1.6
56.05014	2.1
56.96550	2.8
57.07065	2.1
58.06596	100.0
61.29621	1.2
67.05489	2.9
69.07073	1.6
70.06590	9.2
71.59267	3.1
72.08138	7.8
72.93764	3.0
79.05495	3.2
81.07048	19.0
84.04491	2.9
84.08140	12.5
85.02876	1.6
85.06507	1.7
86.09708	6.6
90.94799	2.9
91.05441	1.3
95.08606	3.0
98.97538	2.4
101.02383	2.7
110.09532	1.2
115.08671	1.9
116.98594	1.9
121.02834	1.9
123.11697	21.7
129.10202	3.4
132.95773	3.5
134.99625	1.8
140.14325	3.3
144.95766	2.1
150.96841	2.8
158.97404	5.2
174.89935	1.2
176.98451	2.4
201.01277	1.3
216.97856	1.9
230.24850	2.1
234.98982	10.8
253.00169	2.7
253.42163	1.6
258.00586	4.6
258.16986	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01869	7.9
55.05507	53.1
57.03424	1.2
57.11139	0.9
58.02958	1.1
59.04987	1.9
59.59662	0.8
65.03934	1.0
67.05499	12.2
68.05017	1.5
69.03420	6.0
69.07067	10.3
69.91514	0.8
70.06589	100.0
71.04982	6.1
72.93770	1.0
73.02875	0.9
77.32311	0.7
79.05483	12.4
81.03412	1.7
81.07051	13.9
82.06586	0.8
83.04977	3.7
83.08616	28.5
84.08154	1.6
85.06516	1.3
87.04421	1.0
89.80463	0.8
91.05474	5.3
93.07048	4.2
94.06575	4.9
95.04955	1.9
95.08572	1.9
96.08129	1.2
97.06523	11.9
97.10164	52.1
98.06059	1.6
100.80577	0.9
101.09679	1.4
104.27370	0.7
105.07017	2.5
107.08575	11.6
109.02856	1.4
112.07608	2.0
115.05439	2.5
116.98634	1.1
117.06995	1.7
119.08596	1.2
120.08073	1.0
124.07572	0.8
125.09622	41.8
129.06985	1.0
131.04918	1.2
133.02849	1.2
133.06490	1.7
135.08047	2.7
141.06964	2.6
143.10657	1.3
147.04407	1.9
153.09119	1.8
158.97414	1.1
159.04381	1.8
160.04063	0.8
160.05150	5.0
161.02313	2.9
161.05968	9.9
163.03819	4.1
169.34595	0.9
171.10234	1.0
173.02341	5.1
185.06071	1.1
189.09106	9.9
189.11209	15.5
197.05809	1.0
213.09045	1.1
215.07034	12.6
217.08633	3.0
222.14853	2.1
234.99023	3.4
240.15938	7.2
241.08414	1.2
241.16634	1.4
258.11270	1.2
258.16974	13.5
259.09729	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	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.10054	0.9
53.03934	2.1
55.01864	1.3
55.05496	3.9
56.96561	2.4
57.07065	2.2
64.09190	0.9
65.03935	1.5
67.05502	9.5
69.03417	1.4
69.07050	4.1
69.35142	1.3
69.35470	10.2
71.04974	2.4
72.08137	2.1
72.97646	1.0
79.05483	7.1
81.07047	7.5
83.08598	1.7
83.39807	0.9
85.06525	2.4
88.07611	1.0
90.09204	1.5
91.05476	11.7
93.07044	17.9
95.04961	5.3
95.08611	10.2
97.06539	2.0
98.97591	5.1
103.05453	2.2
105.07025	32.9
107.04962	1.1
107.08586	14.9
109.06535	6.0
109.07127	1.1
109.10145	10.9
111.08087	3.0
115.05449	2.6
116.06194	1.2
116.98630	7.3
117.07006	8.6
119.08575	21.9
119.34258	0.9
121.06505	1.7
121.10134	100.0
122.10482	2.0
123.08065	6.3
123.11712	1.3
128.06210	3.4
129.07002	7.4
130.07767	1.6
131.08563	17.9
133.07582	2.1
133.10129	9.3
134.99655	9.1
135.08051	18.7
135.11659	2.9
137.09567	4.9
141.07008	2.8
142.07771	4.9
143.08556	20.4
144.09366	1.7
145.06448	1.5
145.10115	25.1
147.08040	2.1
147.11685	3.7
149.09605	4.6
151.11095	1.4
153.00703	2.2
154.07735	1.4
155.08559	4.2
156.09315	3.4
157.10127	20.4
158.10893	1.3
159.08066	1.7
159.11685	13.8
161.09605	2.0
161.13202	1.3
163.11154	2.5
169.10127	11.9
170.10860	1.4
171.11661	11.8
173.09561	1.4
173.11775	1.3
173.13243	17.7
175.11212	2.0
175.14774	0.9
177.12718	1.8
181.10010	0.9
182.10808	2.0
183.11670	8.7
184.12439	1.3
185.13278	2.6
187.11145	4.3
187.14804	3.3
197.13235	8.4
199.14809	35.2
200.15260	1.1
201.12700	3.9
209.13251	1.3
210.13916	1.1
211.14774	1.3
213.16373	11.1
214.17210	1.6
215.14308	2.8
215.17970	6.7
229.19519	1.2
239.17937	16.1
257.11401	2.0
257.18985	93.7
257.26672	5.1
257.30270	1.3
258.19266	3.6
258.27899	10.7
274.97501	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	257.1898
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03939	1.2
55.05494	3.3
57.07069	2.4
59.88562	0.9
65.87185	0.9
67.05505	5.3
69.07060	4.8
70.47712	3.8
71.04981	3.0
71.37153	0.9
72.08122	1.6
79.05471	7.3
81.06646	1.0
81.07042	6.5
83.04958	1.3
83.08588	3.3
85.06515	3.3
90.09172	1.5
91.05450	7.8
93.07027	14.2
95.04945	3.3
95.08586	10.2
96.05725	1.0
97.06513	1.2
98.97576	1.2
103.05450	1.3
105.07019	21.4
106.07839	1.1
107.08589	15.8
109.06519	4.8
109.10141	9.1
111.08076	1.3
115.05456	1.2
117.06995	3.8
119.08576	23.2
121.06530	1.3
121.10134	72.3
123.08042	5.3
123.11701	1.6
128.06215	3.3
129.06982	4.0
130.07773	1.6
131.08549	12.7
133.07596	1.2
133.10123	10.5
135.08032	14.8
135.11668	3.8
137.09608	6.1
141.06958	2.3
142.07777	6.1
143.07475	1.6
143.08543	18.0
144.09315	2.6
145.10104	16.4
147.08000	1.3
147.11670	3.6
149.09622	3.9
151.11214	1.5
155.08542	3.5
156.09331	2.2
157.10106	21.5
158.10899	2.7
159.08035	1.3
159.11691	17.5
161.09627	1.9
161.13235	1.2
163.11166	4.4
167.08643	1.0
168.09323	1.5
169.10101	9.4
170.10855	2.5
171.11661	11.8
173.09544	1.4
173.13269	22.0
174.13950	3.1
175.11166	1.4
175.14766	2.8
177.12755	2.5
181.10188	1.3
182.10883	2.2
183.11694	9.5
184.12437	3.5
185.13248	1.9
187.11182	5.2
187.14809	3.6
189.12758	2.3
195.11729	1.9
197.13257	7.3
198.13928	1.2
199.14804	35.6
200.15041	0.9
201.12730	8.3
209.13159	1.3
211.14769	2.0
213.16316	10.6
214.17091	3.1
215.14392	2.7
215.17885	7.4
216.38391	0.9
224.15697	1.5
239.17978	13.8
257.18988	100.0
258.19415	1.8
258.27866	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	257.1282
Annotation	Albonoursin
Peak:m/z	Relative Intensity
52.09137	1.2
53.03929	1.3
55.05496	2.8
56.96552	4.3
64.49895	1.1
65.03938	6.2
67.05492	5.3
69.07063	2.8
71.04969	1.3
71.08637	1.3
71.60117	2.0
72.93771	1.2
79.05479	2.4
81.07038	4.4
82.02937	1.7
83.04957	1.1
91.05470	2.4
92.05011	6.6
93.07024	4.4
93.49757	1.2
94.06548	3.2
95.04970	1.5
95.08606	2.8
97.06524	1.3
98.97562	5.5
105.07001	2.6
107.04988	1.5
107.08577	2.2
108.08097	2.6
109.10192	2.8
110.06069	1.7
112.74685	1.2
115.05486	1.5
116.98616	9.5
117.06987	1.5
119.08582	2.7
120.04462	2.7
122.06016	2.8
129.06995	1.7
130.06548	1.3
131.08578	2.5
134.99661	10.8
135.06784	1.1
136.07530	1.6
142.07755	1.6
143.08572	1.6
144.08083	2.8
145.08888	1.5
145.10088	3.5
153.00717	2.0
154.06474	3.1
155.07275	2.4
155.08467	1.5
156.08076	2.6
157.10060	2.3
159.11650	2.9
160.07536	3.8
160.11238	2.1
168.08087	3.8
169.08853	6.6
169.10144	2.5
170.06035	1.6
170.09615	1.9
171.09155	2.9
171.10454	2.5
172.09949	2.5
173.13190	1.7
176.10611	1.6
182.06007	2.5
183.06718	1.9
183.09225	3.4
184.07562	3.4
184.11220	9.7
185.07077	2.8
185.10750	7.2
186.11490	12.8
187.08644	2.0
188.10712	1.9
189.10252	1.9
196.09904	2.4
197.08313	9.0
198.07825	2.1
199.08571	8.4
200.09401	18.1
201.10327	2.6
201.13872	15.5
211.08728	2.8
211.12350	1.2
212.10715	15.7
213.06627	11.4
213.10143	12.3
214.07365	1.9
214.10802	10.5
215.11006	1.3
224.09404	1.9
227.08090	12.2
228.08839	26.6
229.09793	24.6
229.13321	56.2
234.98975	1.4
239.11845	3.1
240.10201	4.1
241.09711	21.7
242.10484	41.5
243.10675	1.9
257.08353	3.5
257.12839	100.0
257.15198	3.7
257.18561	6.4
258.13342	1.6
274.97458	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	257.1281
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03933	0.6
53.54646	0.6
55.05495	2.4
56.96549	0.8
57.03429	0.7
59.04992	0.6
65.03935	5.1
67.05495	6.4
68.65424	0.6
69.03423	0.7
69.07060	1.2
70.02174	0.5
71.60193	0.7
72.45853	0.6
79.05491	1.7
80.04998	0.7
81.07049	2.0
82.02925	0.6
84.07294	0.5
91.05468	2.4
92.04992	6.6
93.07040	1.6
94.06541	2.1
95.04945	1.9
95.08568	1.7
97.06530	0.6
98.97565	1.8
105.07028	2.5
106.06503	0.9
107.08586	0.7
108.08077	1.3
109.10139	1.8
110.06030	1.1
114.30035	0.7
115.05393	1.1
116.98601	1.8
117.06988	1.5
119.08562	1.3
120.04460	3.0
121.06525	0.7
121.10151	0.6
121.45464	0.6
122.05990	3.3
124.07549	0.7
128.06209	1.5
129.06972	2.0
130.06517	1.0
131.07518	0.7
131.08551	2.3
132.08083	1.7
133.10118	1.0
134.06006	1.0
134.99641	2.7
135.06799	0.6
136.07553	1.0
141.06963	0.9
142.06534	1.0
142.07658	0.7
143.06099	0.7
143.07378	1.1
143.08545	2.6
144.08067	1.5
145.06444	0.7
145.07642	0.7
145.08992	1.0
145.10086	7.1
146.06004	1.1
146.09653	0.7
147.11792	0.6
148.61823	0.6
150.09126	0.9
153.00722	0.9
153.06958	0.8
154.06494	1.9
155.07272	1.1
155.08421	0.6
156.08070	1.7
157.08829	1.1
157.10081	1.4
158.09622	1.0
159.09149	2.1
159.11700	1.8
160.07547	2.5
160.11200	0.8
167.08546	1.2
168.06805	0.7
168.08057	2.1
169.08856	5.7
169.10106	1.4
170.09619	1.1
171.09175	1.6
171.10402	1.3
171.11693	1.4
172.07603	1.3
172.09912	2.6
173.10732	1.1
173.13231	0.9
174.09148	0.9
182.05960	1.0
183.06802	1.3
183.09138	1.2
183.11723	1.0
184.07591	3.3
184.11217	6.8
185.07074	2.0
185.10680	4.3
186.09113	1.3
186.09734	0.9
186.11476	10.8
186.12952	1.1
187.08630	5.5
188.10735	1.0
194.09575	1.0
196.07524	1.4
196.09908	1.0
197.08340	7.1
197.13200	1.1
198.09293	1.1
199.08557	5.1
200.09375	8.3
200.13039	1.2
201.10144	2.5
201.13867	15.0
205.21986	0.6
211.08707	2.3
211.12419	0.6
211.14857	0.7
212.10698	12.3
213.06615	6.3
213.10120	6.0
214.07298	1.7
214.10678	5.8
214.12590	1.6
224.09384	1.0
227.08131	6.5
227.11731	0.7
228.08911	11.2
229.09839	18.1
229.13332	55.2
230.13696	1.3
233.78778	0.6
239.11728	1.4
239.17967	1.1
240.10153	2.7
241.09708	8.3
242.10507	9.5
257.12823	100.0
258.13150	2.5
274.97467	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	255.174
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03925	1.1
55.01845	1.4
55.05497	2.4
57.07066	1.4
58.26656	1.0
67.05492	3.8
69.03427	2.3
69.07056	5.1
71.04966	2.9
79.05486	5.4
81.07030	6.9
83.08604	1.3
85.06533	1.2
87.44916	0.9
91.05470	9.8
93.07030	17.4
95.04960	2.4
95.08585	4.0
97.06512	7.7
98.98431	1.9
99.08057	1.6
105.07016	12.3
106.88239	1.0
107.08575	6.6
109.06495	12.2
109.10139	2.4
111.08112	1.2
115.05431	1.3
117.06998	3.7
119.08566	14.7
121.10117	5.1
123.08068	1.8
128.06201	4.1
129.06982	4.0
130.07832	1.4
130.12672	1.1
131.08582	5.1
133.06483	7.0
133.10120	7.5
135.08040	12.7
135.11708	2.0
141.02567	1.0
141.06970	6.9
142.07770	5.1
143.08545	16.6
144.09357	1.2
145.10178	4.6
146.14845	1.1
149.09624	2.1
153.07030	1.7
154.07755	2.5
155.08557	10.5
156.09303	10.5
157.10109	16.0
158.10870	1.8
159.07965	1.2
159.11620	4.9
161.09627	1.5
165.07010	3.9
167.08549	13.0
168.09303	2.0
169.10100	25.7
170.10825	5.0
171.11658	16.3
173.09579	1.2
173.13229	1.1
175.11214	1.7
179.08514	2.1
180.09248	2.4
181.10100	8.2
182.10876	21.7
183.11626	7.7
184.08852	1.7
184.12456	2.8
185.13197	8.2
187.11086	1.1
193.10135	3.3
193.57182	1.0
193.88879	1.1
194.10822	2.1
195.11678	11.2
196.12416	6.8
197.13231	66.5
198.13969	4.0
199.11194	8.5
207.11670	7.2
208.12399	2.7
209.13263	4.1
211.14792	34.3
212.15591	9.4
213.12750	4.4
213.16335	34.7
213.18343	2.0
222.13991	8.4
225.12756	2.8
227.14192	1.2
227.17897	1.3
237.16348	17.4
237.18584	1.2
240.15036	1.4
255.17418	100.0
256.17764	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	256.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01657	0.2
55.01865	2.9
55.05497	0.5
56.02177	0.2
56.05032	1.7
56.96563	2.1
57.03433	5.8
57.07059	0.6
58.99857	2.9
59.04997	0.5
61.02663	0.3
61.02922	2.4
67.05498	0.5
68.05013	0.6
69.03422	4.5
69.04553	0.3
69.07053	0.4
70.06583	3.5
70.98110	0.4
71.01344	1.8
71.04994	0.7
71.58952	0.3
72.08140	1.4
73.02547	0.4
73.02916	5.0
74.06054	0.3
75.04462	0.3
76.81285	0.2
77.00902	2.5
80.05002	2.3
81.03416	0.7
81.04517	1.0
81.07038	0.4
82.01392	1.3
82.06575	0.4
83.04978	0.6
83.06097	3.7
84.04501	0.8
84.08135	3.2
85.02899	5.6
85.08452	0.3
86.06055	2.4
86.09698	0.7
87.04460	1.5
87.15916	0.2
88.03950	0.3
91.05483	0.4
94.06563	4.2
95.01918	0.5
95.06059	0.6
96.04504	1.5
96.48470	0.2
97.02884	3.3
97.07645	1.3
98.06019	0.4
98.97570	0.7
99.02949	0.9
99.04465	0.2
99.09187	0.7
100.02467	7.8
101.00869	1.5
101.02378	1.0
101.05999	0.5
102.09180	0.3
103.02450	1.9
103.03933	0.7
105.00383	0.3
108.04464	0.3
109.02865	0.4
109.03992	0.7
109.07599	1.1
110.07151	2.8
111.04391	0.4
111.09192	0.5
112.08715	0.4
112.99139	0.2
113.02399	0.3
114.05528	7.4
115.02432	1.9
115.03913	3.9
116.98640	0.7
117.03987	13.0
118.02874	0.2
118.03495	5.8
119.01913	12.3
119.04962	0.3
120.02039	0.5
120.08115	0.6
121.03464	2.5
121.87565	0.3
123.05533	2.7
124.03942	100.0
125.00919	0.3
125.04279	1.0
125.07144	0.3
126.06658	0.3
127.02393	1.4
127.03922	0.7
127.05019	3.3
127.08668	1.5
128.98573	0.5
129.01826	1.0
129.10239	0.7
131.00203	0.5
131.01871	1.3
131.05507	0.5
133.03453	3.2
133.04961	3.8
134.06029	0.3
134.99675	0.5
135.05023	16.6
136.05110	0.6
136.07565	0.6
137.02939	6.3
140.05545	5.8
141.05795	0.3
142.03487	2.3
143.01884	4.1
143.03128	0.2
143.03513	0.3
144.05066	0.4
144.99814	0.8
145.03455	10.2
145.04697	0.5
145.99937	0.3
146.03635	0.4
146.99631	0.8
147.01379	1.1
149.01178	0.5
149.02925	0.5
149.06567	0.8
150.04021	0.6
150.05493	0.5
150.06627	1.0
150.09123	0.5
151.04523	0.5
153.00676	0.3
153.05750	1.5
153.55800	0.3
155.08142	16.8
156.05186	0.3
156.06534	0.4
156.07646	0.5
157.01308	0.8
158.06616	7.3
158.07907	0.4
158.55197	0.3
159.01370	0.3
159.05035	0.3
160.04628	1.0
161.01137	0.3
161.01381	0.4
161.02968	7.6
161.04401	1.0
161.05556	0.8
161.06660	0.5
162.03204	0.3
162.06303	0.4
162.74527	0.2
163.00858	0.7
163.02959	0.5
163.04488	7.8
164.08168	0.4
165.00758	0.3
165.02460	0.8
166.03496	2.2
166.08618	0.4
168.05063	6.7
168.06465	0.5
169.03343	0.5
169.05318	0.5
169.13383	0.5
170.02997	1.1
170.06091	0.9
171.01402	2.8
171.02882	0.6
172.99347	0.3
173.02908	0.5
175.02409	0.4
177.00755	0.4
177.02374	0.3
178.04907	0.7
179.04031	0.6
181.08232	0.3
182.02975	0.3
184.04539	12.3
185.02953	0.3
185.04671	0.5
186.06119	1.8
187.00888	1.0
187.04498	0.7
188.03984	0.3
189.02434	6.3
189.03973	2.0
189.05447	0.3
190.02652	0.4
190.98689	0.7
191.00407	0.7
191.04037	0.5
191.06583	0.3
192.01529	0.4
194.03001	1.6
196.00809	0.5
196.07216	1.4
200.04019	0.3
202.05621	0.6
203.03864	0.3
203.05507	0.8
203.07433	0.3
205.01917	1.2
206.98160	0.3
207.03494	3.9
207.06238	0.4
208.03734	0.3
208.99667	0.4
210.02454	4.9
210.08755	0.8
210.12589	0.4
211.02765	0.5
211.04820	0.2
212.04019	4.9
214.02066	1.0
215.00331	0.5
215.80290	0.3
228.03619	1.3
228.18178	0.4
230.05092	2.7
232.99466	0.3
233.01521	2.8
233.03720	0.5
235.05551	0.3
238.07208	0.4
251.02620	4.9
256.02966	3.6
256.09097	1.2
256.12885	6.0
256.16074	0.3
256.16745	0.3
256.26312	2.7
257.02859	0.5
274.04095	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	255.1588
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03935	7.4
53.37834	1.9
55.01869	8.5
55.05508	35.4
56.96557	5.4
57.03437	47.9
57.07067	7.6
62.29631	1.9
65.03938	3.2
67.05502	98.0
68.34244	1.9
69.07066	32.6
69.63082	5.3
69.63511	9.5
71.01347	5.6
71.04974	11.9
71.08612	2.6
71.45069	1.9
76.05402	2.1
79.05489	89.5
81.03426	14.7
81.07053	48.4
83.04979	30.5
83.08612	12.4
85.02909	3.6
85.06546	7.3
91.05476	36.3
93.07040	96.8
95.04945	14.5
95.08602	17.4
97.06537	25.2
97.10165	19.5
98.98475	10.5
99.08092	3.4
105.07021	9.0
107.04940	2.8
107.08588	56.1
109.06508	4.9
109.10176	11.9
111.08103	5.1
117.07009	10.9
119.08585	17.1
121.06483	4.5
121.10146	14.4
123.08153	2.0
125.09618	4.4
125.71799	2.5
126.52969	2.0
131.08560	3.4
133.10136	8.1
135.08089	2.8
135.11687	100.0
137.09631	5.1
143.08600	3.8
145.10100	18.4
146.97462	2.0
149.01189	2.7
153.12767	3.0
157.10138	4.0
159.11684	2.4
163.11131	11.2
171.11766	2.5
181.12256	15.5
185.09569	2.3
185.13269	3.4
191.51700	2.2
195.13866	4.4
211.14882	2.4
217.24635	2.0
247.08508	2.2
255.15741	51.8
255.20201	2.6
255.20746	2.7
256.26349	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	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01864	6.1
55.05502	35.0
56.29732	1.9
56.96554	4.1
57.03429	59.9
57.07059	7.6
64.41997	2.0
65.03928	3.4
67.05497	98.2
69.03424	2.8
69.07059	35.1
70.73216	4.6
70.73582	4.4
71.01362	6.3
71.04987	12.3
79.05483	87.4
80.07478	2.1
81.03416	13.4
81.07044	47.0
81.62009	1.9
83.04971	25.4
83.08613	9.9
85.06538	5.6
86.36287	2.0
91.05466	38.9
93.07033	98.0
95.04959	13.8
95.08598	14.2
97.06525	25.0
97.10155	19.2
98.97553	2.2
98.98455	4.9
99.08082	2.9
105.07037	8.3
107.04958	2.3
107.08582	66.7
109.10118	12.8
111.08102	3.9
111.11739	2.4
117.07004	8.7
118.63310	1.9
119.08575	13.4
121.06504	5.8
121.10125	13.4
125.09615	4.5
131.08568	2.1
133.10098	6.2
135.08015	2.9
135.11678	100.0
137.09619	6.8
143.08597	2.1
144.08104	1.9
145.10101	18.5
153.12752	4.4
163.11189	11.0
181.12204	15.3
213.16655	2.0
225.12630	2.5
238.25021	1.9
240.57169	2.0
250.89513	3.1
255.15765	44.2
255.23207	3.4
256.26358	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55456	1.2
51.02391	1.6
53.03937	5.6
55.01861	6.9
55.05254	2.8
55.05507	34.8
56.96560	4.5
57.03432	57.4
57.07067	5.9
61.91252	1.4
65.03930	2.2
67.05499	89.0
69.03424	3.2
69.07063	30.9
70.06565	2.5
71.01350	8.2
71.04980	12.6
71.08610	1.5
71.19434	3.9
79.05488	74.7
81.03413	12.3
81.07053	40.2
83.04977	20.0
83.08609	10.1
85.02882	1.7
85.06543	7.9
91.05471	31.8
92.76133	1.5
93.07038	84.7
95.04965	14.2
95.08603	16.9
97.06529	24.7
97.10168	23.1
98.98470	6.7
99.04453	2.0
99.08078	4.1
103.05468	1.6
105.04427	1.5
105.07018	11.0
107.04952	3.6
107.08584	59.2
109.06511	4.3
109.10163	13.2
111.04380	1.7
111.08093	5.1
111.11686	2.5
113.05992	1.9
117.07034	9.9
119.08578	13.4
121.06554	3.0
121.10148	13.0
123.11681	2.3
125.05993	4.9
125.09644	5.4
129.06987	3.1
131.08585	2.6
133.10112	8.8
135.08025	2.9
135.11676	100.0
137.09631	4.0
139.07568	2.9
143.06934	1.5
143.08507	3.4
145.03471	4.4
145.10109	19.2
150.96921	1.6
153.07021	2.0
153.12791	5.0
157.10133	3.1
159.11649	2.1
161.09618	2.1
163.11179	16.2
165.06946	1.7
167.08612	2.4
169.03506	3.0
171.11751	2.2
181.12213	15.6
184.17290	1.5
185.13306	1.8
187.04526	3.4
195.13776	1.9
199.07565	1.9
199.14946	1.6
212.15541	1.7
213.16454	1.9
219.13750	1.9
227.11673	1.5
255.06464	7.4
255.10289	3.2
255.15695	30.4
255.21039	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21585	1.6
53.03943	4.1
55.01868	5.8
55.05505	29.6
55.13277	1.6
55.60811	1.7
57.03434	48.2
57.07071	8.6
65.03941	4.4
67.05501	81.6
68.05866	1.7
69.03426	2.0
69.07066	29.1
71.01344	7.4
71.04976	9.9
71.23972	1.5
71.60383	3.7
78.73360	1.6
79.05489	75.8
80.66953	2.2
81.03418	10.3
81.07054	43.2
83.04971	26.3
83.08601	9.6
85.06525	6.9
91.05475	31.2
93.07038	90.2
95.04961	13.9
95.08580	14.0
97.06533	19.2
97.10157	17.6
98.98457	10.6
99.08111	4.5
105.07043	10.3
107.04971	4.2
107.07864	2.9
107.08590	54.1
109.06493	3.0
109.10124	9.9
111.08070	3.6
117.07012	9.8
119.08574	14.2
121.06484	2.4
121.10141	14.7
125.09636	4.6
128.06212	2.1
129.07030	4.1
133.10126	10.3
135.11684	100.0
137.09669	4.6
143.08588	3.9
145.10118	20.6
146.97418	2.4
150.96875	2.1
151.11363	1.9
153.12756	3.4
157.10109	3.5
163.11154	14.7
167.08559	2.5
169.10103	3.4
171.11722	2.4
181.12212	11.2
195.11752	3.0
197.13277	1.9
237.16560	2.4
239.08199	2.0
250.89322	2.4
255.11195	5.1
255.15628	41.0
255.20987	3.0
256.15421	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	255.159
Annotation	Russulanorol
Peak:m/z	Relative Intensity
51.99087	1.3
53.03916	4.8
55.01839	4.1
55.05510	26.7
57.03434	51.5
57.07078	6.8
57.39008	1.4
59.04958	1.4
65.03915	2.8
67.05500	90.7
69.03393	2.0
69.06725	2.0
69.07063	28.4
69.73312	1.2
69.80170	6.5
71.01317	5.6
71.04993	10.4
71.08571	1.5
79.05488	77.9
79.05954	3.8
81.03401	12.0
81.07055	45.9
83.04981	26.8
83.08609	10.2
85.02882	2.8
85.06519	6.7
87.04403	2.1
91.05477	32.1
93.07037	82.7
95.04951	13.0
95.08607	15.4
97.06524	23.4
97.10162	15.5
98.98477	6.9
99.08044	4.3
105.04510	2.1
105.07027	10.8
107.04926	3.5
107.08587	55.3
109.06480	3.4
109.10139	10.9
111.08017	5.7
111.11687	1.8
115.05439	1.5
117.07034	8.7
117.07695	1.8
119.08561	11.5
121.06465	3.4
121.10127	10.8
125.09578	5.0
129.06976	2.0
130.07686	1.5
133.10063	6.3
134.99493	1.6
135.08028	2.0
135.11681	100.0
136.19246	1.4
137.09534	3.9
143.08479	3.3
145.10124	16.0
146.97386	1.6
147.84879	1.4
153.12631	3.1
157.10072	2.8
159.11609	1.6
163.11180	14.5
171.11635	2.4
181.12254	12.2
187.82719	1.3
191.97047	1.3
195.11607	1.7
199.07504	1.7
208.96219	1.4
213.16347	1.5
250.49768	1.5
255.06496	1.7
255.15779	47.6
255.20961	4.0
256.15421	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	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.7
56.96557	11.9
60.04524	48.8
61.02919	5.0
61.04860	5.4
69.07079	4.2
69.76437	15.3
69.76842	10.8
70.06562	8.8
71.01353	9.7
71.04984	15.8
72.93782	4.2
75.04482	19.8
81.03418	5.7
81.07057	5.2
83.06102	3.6
84.08151	11.2
85.02900	5.3
86.09702	11.4
89.01239	3.5
91.05456	4.4
93.06998	4.2
95.08634	4.6
98.97577	4.5
98.98458	16.4
99.57857	3.7
103.03915	27.1
103.05445	3.7
108.17867	4.5
110.07131	7.7
116.98660	6.5
120.08102	41.9
121.08434	53.4
131.03349	5.1
134.99667	4.6
143.99593	3.6
146.97446	17.4
159.02870	62.5
161.01205	8.4
166.08696	18.9
167.09007	37.6
168.13849	6.6
169.99005	7.3
170.67848	3.5
179.02242	4.7
187.02516	5.3
188.92537	4.6
195.11382	5.1
208.11656	16.4
208.13339	9.3
210.14799	23.3
212.99313	4.6
219.04979	100.0
221.29222	3.6
248.53601	4.6
254.06032	5.7
254.14024	8.4
254.17587	22.3
267.03802	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	255.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10558	0.3
55.01864	2.3
57.03431	3.5
59.04996	0.4
61.02894	0.6
69.03423	2.4
70.26179	0.6
70.26567	0.7
71.01350	1.0
73.02916	2.1
78.03444	1.4
80.05019	2.7
85.02885	2.5
85.95220	0.3
93.04541	0.4
96.04503	1.0
97.02876	1.2
106.02908	7.1
110.07156	1.9
115.03908	1.9
123.05542	100.0
124.03952	3.2
124.05910	0.9
133.04958	2.7
147.13849	0.3
156.07712	0.6
159.04855	0.3
219.52107	0.4
255.13620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.05500	1.2
56.96557	2.9
57.03433	5.3
57.03680	0.9
57.07069	0.8
58.99850	1.0
61.02927	3.1
67.05480	0.7
68.88180	0.5
69.03418	3.8
69.07045	1.2
69.90886	1.9
69.91299	1.0
71.01337	1.3
71.04972	1.0
73.02918	4.3
77.00898	1.4
78.03449	0.7
80.05004	2.6
81.03407	0.8
81.07018	0.9
83.06106	0.5
85.02905	5.1
93.04520	0.7
93.07021	0.8
94.06541	0.6
96.04482	1.9
97.02885	3.3
97.06493	0.6
97.07600	0.7
97.10151	0.8
98.21574	0.6
98.97575	1.1
98.98462	2.6
100.02474	1.6
103.03960	0.6
105.07056	0.6
106.02895	5.2
110.07159	5.3
114.05520	0.9
115.02454	1.4
115.03918	1.5
116.98589	0.8
117.03986	2.4
118.03535	1.4
119.01929	5.0
123.05542	100.0
124.03942	20.0
124.05862	0.6
127.05073	0.7
127.08624	0.6
130.96756	0.6
131.01883	1.0
133.03441	2.3
133.04962	2.6
133.05998	0.6
135.05052	3.1
137.02975	1.8
140.05562	1.2
142.03473	1.2
143.01965	1.1
144.99811	5.8
145.03459	2.9
146.99706	0.8
149.01155	0.8
150.96945	0.9
155.08156	2.5
156.07669	1.1
158.05019	0.7
158.06599	1.1
159.01294	0.6
161.02977	1.5
163.00890	2.1
163.04510	1.7
168.05125	0.7
168.98015	1.1
171.01414	1.0
172.99409	1.5
173.03056	0.6
177.02504	1.3
184.04558	1.9
189.02448	1.4
190.98726	0.9
191.00377	1.2
205.01973	1.2
207.03609	0.7
210.02501	0.7
212.04071	1.1
213.00636	0.7
223.02968	0.8
230.05083	0.8
233.01466	1.3
240.43944	0.6
245.05142	1.1
251.02591	3.1
255.01692	1.5
255.06322	0.6
255.10132	0.8
255.14481	0.7
256.03030	2.1
256.12881	1.0
274.04071	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	253.1434
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03942	2.2
55.01867	5.4
55.05505	7.2
57.03448	1.1
57.07084	0.8
65.03938	1.7
67.05500	14.2
69.03425	4.5
69.07063	6.5
70.03009	1.2
70.03424	1.9
71.04991	8.6
72.90784	0.6
75.25566	0.6
77.03917	0.9
79.05486	24.9
81.03414	1.5
81.07050	48.1
83.04972	6.6
83.08628	3.6
85.06529	4.2
91.05474	19.0
93.07037	43.8
95.04355	1.0
95.04961	16.5
95.08602	17.5
97.02904	1.5
97.06520	15.2
97.10142	0.8
98.98460	5.1
99.04449	7.8
101.06064	0.9
103.05435	1.4
105.07021	26.7
107.04948	6.7
107.08583	23.0
109.06506	33.2
109.10129	5.0
111.04438	1.1
111.08062	4.8
113.06001	4.8
115.05469	1.5
117.07025	2.7
119.04919	1.4
119.08569	18.6
121.06494	100.0
121.10121	3.5
122.06805	0.6
123.04417	5.8
123.08054	6.0
123.11709	1.0
125.05209	0.9
125.05981	5.0
127.07548	12.6
128.06221	1.5
129.05508	0.9
129.06981	5.0
130.07735	0.8
131.08565	5.4
133.06505	4.4
133.10114	9.1
135.04416	5.9
135.08046	9.0
135.11674	1.3
137.05975	4.4
139.07526	19.2
141.05440	2.1
141.06973	1.6
142.07756	4.2
143.07028	1.9
143.08548	9.7
145.06470	1.5
145.10104	7.4
146.97444	1.0
147.08029	5.0
147.11676	27.0
149.07883	1.7
149.09586	1.4
149.13260	0.9
151.07605	1.8
151.11128	1.4
153.09067	0.6
154.99933	0.7
155.08528	1.9
156.09328	4.0
157.06490	2.0
157.08623	2.8
157.10120	12.2
158.07239	1.2
159.06573	1.1
159.08008	2.1
159.11665	0.9
160.08755	1.0
161.06004	2.3
161.09598	2.2
161.13242	14.2
163.07751	0.7
163.11218	1.1
163.14813	1.8
165.07008	1.9
165.12706	4.8
166.07736	3.8
169.99054	1.0
171.08078	1.5
171.11676	17.4
173.09624	3.2
173.13264	1.2
175.07613	0.8
175.11172	16.0
181.10107	6.3
184.08829	1.7
189.12727	23.6
191.10591	1.2
193.12231	19.4
199.11165	37.1
200.11530	0.6
207.13817	8.7
211.13293	2.0
217.12222	79.1
218.12523	1.7
235.13257	33.0
235.17017	1.3
252.59366	0.8
253.14331	16.7
254.38422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
53.03932	2.7
55.01873	10.9
55.05511	9.8
57.03425	3.0
57.07069	2.2
67.05170	2.7
67.05501	47.4
69.03413	4.0
69.07068	15.7
69.43421	17.9
71.54196	1.9
75.84538	1.7
79.05486	13.6
81.03391	8.1
81.07053	39.4
83.04958	7.9
83.08591	3.2
85.02930	1.7
85.06522	6.1
85.37584	2.1
91.05476	31.1
93.07020	8.2
95.04955	5.5
95.08588	7.9
97.02918	2.2
97.06502	2.2
98.21477	3.5
98.98463	22.8
99.04396	2.1
105.07027	26.2
105.23643	1.7
107.04930	2.4
107.08595	26.2
109.06503	3.3
109.10155	46.9
113.05971	2.0
119.08546	3.6
123.11706	8.6
127.07592	2.1
133.10123	51.5
141.05400	2.1
151.11177	27.1
161.09628	3.1
169.12248	4.5
197.11732	4.7
253.14319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01868	1.2
55.05515	3.3
56.96558	2.4
57.03431	0.9
57.07070	1.5
67.05502	5.5
69.03427	1.8
69.07062	4.0
70.06580	1.1
70.22495	1.2
70.22897	1.2
71.04978	2.2
77.46851	0.5
79.05479	3.8
81.07058	9.0
83.04978	2.4
83.08166	0.6
83.08613	2.7
85.02907	0.8
85.06517	1.5
88.57115	0.6
91.05488	3.4
93.07053	4.2
95.04946	2.4
95.08606	7.8
97.02900	1.7
97.06528	3.6
97.10179	1.5
98.97572	0.8
98.97811	1.0
98.98466	11.8
99.04464	1.0
99.08073	0.7
101.06015	0.8
105.07036	3.6
107.04935	0.7
107.08552	4.3
109.06503	2.2
109.10149	5.0
111.04443	0.8
119.08593	3.0
121.02882	2.3
121.06493	2.7
121.10128	2.0
123.08096	0.8
123.11683	1.5
125.05997	1.0
125.09631	0.7
129.06966	0.8
133.10146	2.5
135.11711	1.3
137.09569	0.9
141.05513	1.1
143.08595	0.6
144.42064	0.8
146.97441	4.9
147.11671	2.4
149.13280	1.4
157.10156	0.9
161.01210	0.9
161.09549	0.7
161.13335	1.0
165.07047	0.7
165.12798	0.8
169.99094	1.8
171.11784	0.8
175.11180	1.4
189.12685	0.8
193.12207	1.1
197.11725	1.9
201.09683	0.9
201.98080	0.8
209.69380	0.7
217.12276	2.0
217.19576	1.0
219.10963	0.7
235.13205	1.3
235.16956	1.9
235.20609	0.8
238.06355	0.9
253.14133	100.0
254.14529	1.5
271.13895	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	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01845	2.7
55.05515	12.1
56.05027	7.6
56.96564	15.9
57.03432	8.2
57.07072	7.0
58.06641	2.7
60.04532	14.1
60.05652	2.6
61.02913	8.7
67.05502	9.1
68.05023	3.6
69.03418	25.3
69.07059	9.7
70.03218	13.3
70.06592	38.5
71.04993	7.5
71.06919	2.6
71.08606	3.0
72.08150	11.5
73.02912	6.4
73.06554	28.5
74.06081	5.9
75.94606	3.5
79.05487	4.5
81.03416	11.0
81.04545	2.4
81.07045	12.9
82.06544	3.4
83.06105	4.3
83.08618	2.8
84.04498	15.1
84.08131	33.3
84.32974	2.5
85.02901	100.0
85.06573	3.4
85.08481	4.4
86.09685	15.2
88.03981	4.5
91.03925	5.0
91.05481	10.2
93.04517	3.2
93.07055	5.5
94.06548	2.5
95.04973	5.1
95.06064	6.2
95.08593	8.7
97.02882	30.5
98.06055	3.9
98.21401	3.2
98.97549	4.3
98.98461	97.7
99.04452	6.2
102.05516	4.7
103.05446	9.0
104.94920	2.5
109.02879	5.0
109.06541	2.7
109.10141	5.4
110.06049	4.7
110.07162	43.7
112.07573	4.2
112.08741	4.6
116.07066	5.7
116.98573	9.9
116.99475	4.4
118.90784	2.6
119.04936	5.1
120.08096	94.2
121.10143	3.6
123.04450	13.7
124.07635	3.6
127.03921	18.2
129.10233	9.8
131.00227	16.2
132.95830	3.0
134.06021	5.2
134.99612	8.2
136.06163	2.4
136.07599	23.7
141.05441	6.0
144.08083	3.0
145.04936	16.2
146.97417	22.6
147.03264	3.6
147.04399	6.2
147.97513	3.3
148.97455	7.7
149.01210	23.3
150.05536	4.4
150.96896	3.0
155.04593	3.3
156.07672	4.7
162.05481	55.4
163.12306	2.8
165.05472	7.0
166.08623	7.4
166.98532	8.2
167.02269	4.8
169.99042	9.5
175.12057	3.2
177.00668	3.0
182.08113	19.3
193.03848	7.1
194.09148	5.5
195.11264	16.1
195.12825	3.1
197.11713	11.4
207.11305	6.2
208.09657	2.8
208.14491	7.2
211.04930	4.5
235.04834	3.3
235.11868	3.9
247.96741	3.5
253.02255	14.4
253.11630	13.0
253.18094	2.9
254.15860	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	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01845	2.7
55.05515	12.1
56.05027	7.6
56.96564	15.9
57.03432	8.2
57.07072	7.0
58.06641	2.7
60.04532	14.1
60.05652	2.6
61.02913	8.7
67.05502	9.1
68.05023	3.6
69.03418	25.3
69.07059	9.7
70.03218	13.3
70.06592	38.5
71.04993	7.5
71.06919	2.6
71.08606	3.0
72.08150	11.5
73.02912	6.4
73.06554	28.5
74.06081	5.9
75.94606	3.5
79.05487	4.5
81.03416	11.0
81.04545	2.4
81.07045	12.9
82.06544	3.4
83.06105	4.3
83.08618	2.8
84.04498	15.1
84.08131	33.3
84.32974	2.5
85.02901	100.0
85.06573	3.4
85.08481	4.4
86.09685	15.2
88.03981	4.5
91.03925	5.0
91.05481	10.2
93.04517	3.2
93.07055	5.5
94.06548	2.5
95.04973	5.1
95.06064	6.2
95.08593	8.7
97.02882	30.5
98.06055	3.9
98.21401	3.2
98.97549	4.3
98.98461	97.7
99.04452	6.2
102.05516	4.7
103.05446	9.0
104.94920	2.5
109.02879	5.0
109.06541	2.7
109.10141	5.4
110.06049	4.7
110.07162	43.7
112.07573	4.2
112.08741	4.6
116.07066	5.7
116.98573	9.9
116.99475	4.4
118.90784	2.6
119.04936	5.1
120.08096	94.2
121.10143	3.6
123.04450	13.7
124.07635	3.6
127.03921	18.2
129.10233	9.8
131.00227	16.2
132.95830	3.0
134.06021	5.2
134.99612	8.2
136.06163	2.4
136.07599	23.7
141.05441	6.0
144.08083	3.0
145.04936	16.2
146.97417	22.6
147.03264	3.6
147.04399	6.2
147.97513	3.3
148.97455	7.7
149.01210	23.3
150.05536	4.4
150.96896	3.0
155.04593	3.3
156.07672	4.7
162.05481	55.4
163.12306	2.8
165.05472	7.0
166.08623	7.4
166.98532	8.2
167.02269	4.8
169.99042	9.5
175.12057	3.2
177.00668	3.0
182.08113	19.3
193.03848	7.1
194.09148	5.5
195.11264	16.1
195.12825	3.1
197.11713	11.4
207.11305	6.2
208.09657	2.8
208.14491	7.2
211.04930	4.5
235.04834	3.3
235.11868	3.9
247.96741	3.5
253.02255	14.4
253.11630	13.0
253.18094	2.9
254.15860	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	253.1181
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
50.54324	0.5
55.05518	0.8
56.96565	1.3
57.07068	1.4
60.04521	60.1
67.05498	1.2
69.03419	0.7
69.07066	1.1
70.02960	0.9
70.06586	1.6
71.05000	0.8
71.11098	1.1
72.08172	0.5
72.93816	0.5
78.22521	0.5
79.05494	1.3
79.50822	0.4
81.07065	2.0
84.04482	0.7
84.08140	1.8
85.02887	0.7
86.09742	0.7
87.05585	3.2
88.03977	0.5
91.05464	1.4
93.07047	1.0
95.04958	1.1
95.08592	1.6
97.02873	1.1
98.98462	13.5
99.04489	0.5
103.05447	3.6
104.14135	0.4
105.07025	1.1
107.04967	1.0
109.10155	0.9
116.99490	0.6
119.08516	0.5
120.08096	100.0
121.08424	0.8
128.96405	0.5
131.04929	2.7
137.04651	0.6
141.05428	0.9
144.08105	2.7
146.97449	4.1
148.97459	0.4
149.05965	1.5
151.18951	0.5
159.02863	1.1
160.07628	0.6
161.01106	0.8
162.09142	2.2
166.08626	58.4
167.08907	0.7
169.99028	2.3
170.98906	0.5
195.42009	0.5
197.11649	1.1
201.56248	0.5
201.97940	0.6
206.08080	0.7
207.11287	15.8
207.13196	1.0
219.04999	1.4
219.87646	0.5
235.10658	2.7
242.74968	0.6
247.96327	0.6
253.02232	1.0
253.11853	7.9
253.14256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0818
Annotation	5-Hydroxy-N-formylkynurenine
Peak:m/z	Relative Intensity
51.94047	1.3
55.01848	1.5
55.05499	2.8
56.96544	2.1
57.03423	2.3
57.07058	2.1
64.73612	1.1
65.41187	1.3
67.05494	3.4
69.07060	3.0
70.06568	3.0
71.04964	2.0
71.59258	2.0
72.93751	1.5
74.02436	5.2
75.84660	1.3
79.05492	2.8
80.04999	1.4
81.07049	5.4
84.08152	2.2
86.09650	1.3
91.05470	2.7
93.07027	2.2
95.04952	1.9
95.08595	4.9
97.02866	1.7
97.10152	2.0
98.98458	39.2
99.04453	2.0
106.06544	4.7
108.04511	1.4
109.10144	1.6
110.06054	4.4
110.07157	1.9
116.98666	1.9
116.99484	3.7
118.06543	3.4
119.03546	1.8
119.04950	2.6
119.06060	1.3
119.08511	1.2
120.04446	2.1
120.08102	3.0
121.02876	1.4
130.06470	1.4
133.07622	1.6
134.06017	23.4
134.99640	1.7
136.03893	3.4
136.07588	1.5
137.04578	100.0
137.09515	1.8
144.04417	2.7
144.07954	1.3
146.04831	1.8
146.06006	29.3
146.07193	1.6
146.97438	11.6
147.04410	1.4
149.04698	1.4
152.07063	3.1
158.02513	1.4
161.07114	6.2
162.05499	46.7
164.03418	11.0
166.98497	1.7
169.99051	5.5
173.07111	3.1
174.05524	1.5
178.96286	1.3
182.08141	1.7
189.06587	6.2
190.04971	9.4
191.08247	2.0
194.11723	2.1
195.08311	1.2
195.15570	1.3
197.11720	2.7
203.05856	2.1
207.07628	21.5
219.07681	3.2
219.87668	2.0
220.08414	4.9
235.07114	2.5
235.14589	2.0
236.05534	3.8
236.07921	1.8
247.96599	2.3
253.08185	11.7
253.15466	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	252.1093
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
51.07023	0.4
53.32861	0.3
53.97850	0.4
55.05497	0.4
56.05020	1.0
56.96552	0.8
57.03413	0.4
57.07052	0.4
58.06589	0.4
60.04502	1.4
67.05513	0.6
68.05025	0.5
69.03407	1.0
69.07053	0.7
70.06594	3.6
71.04982	0.9
72.08150	2.1
72.93791	0.4
73.02905	0.9
81.03400	0.9
81.07051	0.4
84.04518	1.7
84.08144	4.7
86.09695	2.4
88.03988	0.6
90.05525	0.4
90.94806	0.6
91.05466	0.5
93.07094	0.5
94.04061	0.5
95.06087	2.5
97.02888	0.5
98.06017	0.5
98.98455	8.1
99.04445	1.1
102.05527	0.5
110.06026	0.3
110.07166	1.1
116.07049	0.6
116.98574	0.6
117.05483	1.8
119.03576	0.9
120.08099	1.1
121.05095	1.8
129.10229	1.6
132.95827	0.9
134.06003	0.4
136.06177	100.0
137.04576	1.0
137.06558	0.6
137.11067	0.4
142.04993	0.4
146.97421	1.6
147.04448	0.4
150.96861	1.0
151.12309	0.5
151.97148	0.8
163.97678	0.5
165.98817	0.4
169.99043	1.0
188.05473	0.6
193.13354	1.6
204.00302	0.7
205.98796	1.0
234.09782	0.7
252.02396	1.5
252.07231	0.9
252.10646	2.0
252.15997	0.6
252.20692	1.7
252.23300	0.9
253.02103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51914	0.8
53.03928	0.9
55.05502	2.4
56.96322	0.9
56.96563	5.8
57.03422	1.8
67.05498	2.7
69.03423	2.5
69.07056	4.1
70.00741	2.2
70.01144	3.3
70.06598	2.8
70.95851	0.9
71.04979	1.5
72.08149	1.7
73.02924	1.6
74.51485	0.8
79.05481	4.4
81.03400	4.7
81.07055	4.7
83.04984	1.7
83.08612	1.3
83.53139	1.1
84.04482	1.8
84.08118	5.4
85.02898	1.6
86.09715	4.9
87.00826	2.1
91.05467	5.7
93.07038	8.3
94.04096	0.9
95.04965	3.2
95.08603	2.7
97.02875	2.4
97.06502	1.0
98.97598	3.6
98.98454	11.3
103.05444	9.5
105.07035	3.5
107.04935	2.7
107.08565	2.3
109.02866	1.1
109.06532	1.0
109.10119	1.6
116.98627	2.2
117.07040	1.2
118.06546	9.9
119.01813	2.2
119.04945	1.1
119.08554	1.3
120.08097	100.0
121.10210	1.3
123.08045	1.1
123.22613	1.0
129.10205	1.3
131.00134	1.1
131.04942	1.3
134.99620	1.5
136.06184	18.3
137.04616	2.3
138.09119	1.0
144.97983	1.2
145.10129	0.9
145.96716	0.9
146.05994	14.7
146.97432	3.9
147.03107	1.7
147.04390	1.8
148.07550	17.3
149.01230	3.3
155.02583	1.4
156.03601	3.2
163.97714	3.4
164.07059	1.4
166.08649	2.6
167.02277	2.6
169.99078	1.9
171.06628	0.9
177.00693	1.5
177.05524	1.3
180.07222	1.7
181.98695	1.2
188.07048	12.9
188.14288	2.2
192.06583	1.3
193.12375	0.9
205.04172	0.9
205.98779	7.7
206.08110	46.9
206.15492	3.0
207.08582	1.2
216.08328	1.2
219.87674	1.1
229.00311	2.0
234.15376	1.4
252.09236	3.9
252.14560	6.7
252.20006	1.3
252.23219	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	251.1641
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03955	1.0
55.01874	1.7
55.05505	8.0
56.05405	0.4
56.96569	2.1
57.03447	1.0
57.07087	1.8
59.05005	1.0
65.03922	0.7
67.05493	5.9
69.03432	1.8
69.07063	10.3
70.06576	0.7
70.16512	1.8
71.04996	1.8
79.05485	9.4
81.03419	1.2
81.07050	11.7
81.07513	0.7
83.04974	10.0
83.08621	1.8
84.04507	0.6
84.08152	0.6
85.02893	0.8
85.06550	1.6
91.05470	6.6
93.07034	28.4
95.04964	3.8
95.08599	9.2
97.02888	0.8
97.06532	3.5
97.10154	1.3
98.97539	0.9
98.98459	20.5
99.04446	1.1
100.02498	0.5
103.05467	0.6
105.04501	0.4
105.07026	8.2
107.04956	1.4
107.08586	7.5
108.04496	1.3
109.06507	6.0
109.10140	3.6
111.04433	10.8
111.08064	1.1
111.11700	3.4
116.98553	0.5
116.99523	0.9
117.07028	1.5
119.04906	0.6
119.08555	4.3
120.08119	0.9
121.06502	2.6
121.10133	40.0
122.41375	0.4
123.08069	2.6
123.11707	2.1
125.05988	1.3
125.09620	2.4
129.06970	0.5
131.08562	2.5
132.95900	0.5
133.10129	2.3
134.99620	0.5
135.08046	2.1
135.11667	1.5
137.05992	1.5
137.09612	1.5
139.07494	0.8
139.11139	2.6
143.08533	0.7
145.10086	4.4
146.97404	0.8
146.99683	0.6
147.08058	1.0
147.11676	1.8
148.07579	0.5
149.01157	0.8
149.09610	15.5
149.13239	0.6
150.96889	0.8
151.07504	0.7
159.08022	1.2
159.11679	1.9
161.01262	0.9
161.09644	0.6
161.13263	0.5
163.07472	0.6
163.11140	1.3
163.97696	0.6
167.10661	100.0
168.10971	1.1
173.09598	1.1
173.13278	1.4
175.11223	1.9
177.09053	0.9
181.12244	0.7
187.11165	2.7
187.14841	1.3
189.12752	0.7
191.08890	0.5
191.10661	1.6
191.14218	0.7
193.12164	1.1
205.00128	0.7
205.12199	1.4
205.15820	1.2
205.98758	1.1
215.10686	1.4
215.14310	1.5
215.17909	0.7
233.11653	1.4
233.15285	3.0
233.18886	0.6
236.08105	0.5
251.10629	1.8
251.12675	1.2
251.16364	15.0
251.20050	2.5
266.93759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03932	4.8
55.01867	3.5
55.05500	8.4
55.76505	2.7
56.96545	8.3
57.03407	3.1
57.07061	10.3
59.04994	7.1
61.09805	3.3
63.16302	2.5
63.23726	2.9
65.14791	2.6
67.05499	19.1
69.03437	14.4
69.07045	9.6
70.75991	10.0
71.04989	88.5
71.08606	8.0
79.05484	18.0
81.03407	5.8
81.07053	23.9
83.04965	16.8
83.08619	6.5
85.06525	12.9
91.05476	18.3
93.07039	24.8
95.01319	4.0
95.04981	18.9
95.08609	33.1
97.02866	3.5
97.06526	22.6
98.97581	11.1
98.98466	71.9
99.08065	9.3
105.06997	17.8
107.04952	6.1
107.08598	25.8
109.06493	11.9
109.10165	23.6
111.08071	8.9
113.05984	12.1
116.98614	8.5
117.06990	5.1
119.08576	36.0
121.06511	6.0
121.10136	42.6
123.08069	17.2
123.11678	8.9
125.05986	43.4
128.06224	3.3
131.08543	11.3
133.10114	12.2
135.08032	6.3
135.11697	10.5
137.05931	3.9
137.09608	44.8
141.57205	2.7
145.10121	27.0
147.08029	56.4
147.11646	14.5
149.09619	18.1
151.07545	12.5
151.14778	6.6
155.14227	3.6
157.10161	4.5
158.99680	6.6
159.11748	4.0
161.13167	3.7
163.09837	5.3
163.11180	76.6
163.14847	5.5
173.13290	7.7
175.11180	13.5
177.00775	5.4
179.14276	38.8
181.12215	23.7
187.14781	9.0
189.12698	4.8
191.14294	10.7
193.12221	7.2
196.08412	7.0
205.09085	7.1
205.15907	8.4
205.98747	5.3
206.39059	3.2
207.11865	3.1
207.13777	11.8
215.14297	8.3
217.09041	11.0
221.10449	3.1
230.08163	5.3
230.57948	4.5
233.15315	42.3
239.08583	13.9
251.10426	5.1
251.12471	13.8
251.16409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03954	1.9
53.72561	2.0
55.01856	4.9
55.05496	7.6
55.75756	1.9
56.96550	6.7
57.03432	3.5
57.07060	8.0
59.04993	2.6
65.03912	3.4
67.05503	20.0
69.03423	4.7
69.07055	9.2
70.06572	3.7
70.85445	6.8
71.04594	2.8
71.04988	55.2
72.93784	2.2
76.40108	2.1
79.05479	13.4
81.03419	3.3
81.07053	26.0
83.04960	14.4
83.08589	3.0
85.06536	3.1
89.47903	2.2
90.94854	2.5
91.05459	10.3
93.07047	15.6
95.04955	17.9
95.08598	27.4
97.02905	2.7
97.06517	16.7
98.98457	100.0
99.04449	3.2
99.08106	3.2
105.07037	11.8
107.04912	5.9
107.08576	12.3
108.04450	9.7
109.02855	6.0
109.06488	13.1
109.10142	13.3
111.04416	3.0
111.08044	2.9
116.98634	5.0
116.99500	6.1
117.06998	4.1
119.08576	8.1
120.08082	2.7
121.06487	8.5
121.10129	18.9
123.08042	7.3
123.11662	8.5
125.05985	28.2
125.09662	3.1
129.06963	3.1
131.08548	10.6
133.06487	3.4
133.10129	5.1
134.53331	2.1
134.99673	2.2
135.08025	6.0
135.11673	6.8
137.05984	4.0
137.09586	6.1
145.10078	10.7
146.97400	3.2
147.11691	6.0
148.07518	3.3
149.09622	11.6
149.13271	2.7
151.07547	11.0
159.11621	3.3
161.09634	3.5
163.11157	35.1
163.97711	4.9
167.10745	2.9
173.09586	3.3
173.13220	3.1
174.99181	3.3
175.11182	2.8
177.09113	4.2
181.12247	13.8
189.12653	4.2
193.12206	3.2
205.98683	12.9
215.14340	5.4
229.00282	3.8
231.62668	2.1
233.15378	10.3
240.09172	2.2
251.02000	2.7
251.07169	2.3
251.10556	4.7
251.12614	4.0
251.16360	58.4
251.20203	5.5
262.44461	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	250.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.2
57.03426	0.8
59.60766	0.3
60.04515	0.3
60.62056	0.3
60.73304	0.3
67.01864	1.3
67.05494	0.4
69.07807	0.4
70.06577	1.3
71.58932	0.5
72.08123	0.7
72.93788	1.0
76.37460	0.4
79.05480	0.4
84.04462	0.3
84.08141	0.7
86.09710	0.6
88.07673	0.6
90.94805	0.8
93.58286	0.4
97.02884	1.2
98.97519	0.4
98.98460	6.3
110.04730	0.4
112.13027	0.4
116.98598	0.4
116.99435	0.4
118.23292	0.4
119.03557	0.6
121.06448	0.4
125.08140	0.4
131.00166	0.7
132.95836	1.6
136.06178	100.0
137.04631	0.8
137.06535	0.4
146.97351	0.9
149.01202	1.3
150.96854	2.7
153.00696	0.4
164.98422	0.9
174.96791	0.4
184.98949	0.4
203.00049	0.5
206.11827	0.8
209.01070	0.8
223.17805	0.4
250.09322	12.7
250.12898	1.7
251.02089	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	249.2213
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03927	2.0
53.72770	1.2
55.01867	31.4
55.05509	11.1
57.07061	3.6
62.64396	1.3
67.05501	50.1
69.03434	1.5
69.07067	11.6
69.44958	1.1
71.04995	2.1
71.31023	1.4
71.60798	1.4
71.61235	2.0
79.05475	10.4
81.03412	2.8
81.07052	24.6
82.04254	1.3
83.04987	9.4
83.08619	3.3
85.06505	1.3
87.08836	1.2
91.05476	14.5
93.06541	1.9
93.07046	20.0
95.04949	2.5
95.08601	73.3
97.06517	5.1
97.10157	3.1
99.08067	1.4
105.07018	4.7
107.08605	8.8
109.06532	2.3
109.10156	20.0
111.08068	2.5
119.08575	8.8
121.10117	10.5
123.08065	10.3
123.11703	3.1
129.06961	1.3
133.10156	5.3
135.11670	4.1
137.09608	100.0
137.13216	3.6
139.11153	1.3
147.11685	3.9
149.13277	6.1
153.12762	1.6
153.96468	1.3
161.13268	3.9
165.12798	1.6
167.14296	10.4
173.13356	1.7
174.40982	1.4
175.14796	4.3
189.12733	1.3
193.12192	2.4
203.06041	1.7
211.76523	1.2
231.17482	1.6
231.21080	14.4
249.18536	9.0
249.22136	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.8
55.05507	1.0
56.05016	0.9
56.96554	2.9
57.03407	0.7
57.98036	0.7
67.05511	0.7
67.11356	0.7
69.03414	2.6
69.07050	1.8
69.97464	3.5
70.06308	0.7
70.06590	7.3
72.04141	1.2
72.04513	18.8
72.08143	3.7
74.06063	0.7
75.13519	0.8
79.05477	1.2
81.03407	1.8
81.07102	1.1
83.06081	0.9
84.04472	1.6
84.08147	4.3
85.02899	1.7
86.09697	8.1
88.03959	1.4
91.05471	3.1
93.07031	1.0
95.04952	1.0
95.08588	0.9
97.02879	1.3
97.06514	0.8
98.97558	2.0
105.07020	2.0
107.08578	1.1
109.02884	1.1
110.07159	5.5
111.04380	0.8
112.08810	0.8
115.05452	5.2
116.98602	2.0
117.05745	2.6
117.07026	2.8
118.05021	24.7
118.06531	41.0
119.08575	2.0
120.08083	2.5
124.05059	1.2
125.89733	0.7
127.03883	1.6
129.10208	1.0
130.06497	1.9
131.00165	0.6
132.08076	86.7
133.06465	1.4
133.08406	1.1
134.99635	1.5
136.06165	5.6
136.07545	1.1
142.06496	3.4
143.04897	4.9
143.07286	5.5
144.08067	20.2
144.71906	0.8
145.06453	1.0
146.05997	87.0
147.04382	1.4
147.06345	1.2
152.04524	0.9
160.05153	2.0
160.07600	1.4
161.01183	1.1
161.05928	3.7
168.05386	0.8
169.06401	0.9
170.05960	6.7
171.04382	3.9
175.07492	3.6
188.07047	100.0
189.05519	1.8
189.07391	1.8
203.06947	7.5
203.11963	5.5
232.09605	0.9
249.07727	4.4
249.09918	1.2
249.12355	15.6
249.14867	1.7
250.12968	3.2
251.14856	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	249.1846
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03941	5.1
55.01862	1.6
55.05497	8.8
56.96550	1.8
57.07059	1.8
57.64948	1.2
65.03938	1.4
67.05494	38.0
69.03424	1.4
69.07062	6.6
71.60882	1.3
77.03915	1.5
79.05482	55.4
81.07050	21.2
83.08607	3.5
85.06524	3.8
91.04890	1.8
91.05471	51.4
93.07032	100.0
95.04961	13.6
95.08595	18.2
97.06515	3.1
97.10156	1.6
99.08066	1.7
99.52892	1.2
105.04485	2.7
105.07011	13.2
107.08579	32.8
109.06496	2.5
109.10159	6.9
111.08075	1.6
115.07561	1.6
117.07005	4.3
119.08574	18.6
121.06523	1.5
121.10131	51.0
122.36275	1.2
123.08044	1.5
123.11692	2.3
129.06987	2.6
131.08588	6.9
133.10112	20.9
135.08022	4.5
135.11682	9.5
137.09610	2.0
137.13200	1.5
143.08563	4.4
145.10132	1.9
147.04413	1.8
147.11697	3.2
149.09613	1.6
149.13322	1.4
151.11124	2.8
157.10101	5.7
161.13199	2.3
171.11681	3.8
173.13153	2.2
175.11102	1.3
175.14803	8.9
189.12718	2.0
189.16397	6.2
192.51457	1.5
193.08568	1.6
199.14806	11.9
207.13826	1.4
217.15819	8.2
231.21117	1.6
248.18907	1.3
249.14572	1.7
249.16199	2.7
249.18478	26.4
249.22136	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	249.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
55.93523	0.7
56.05037	3.9
56.96558	11.1
57.03414	2.1
57.05819	0.9
57.07053	0.7
57.95935	0.7
58.06599	4.1
59.04976	1.3
60.04512	1.1
61.01138	1.2
61.02924	1.1
67.05485	1.3
69.03416	2.2
69.07043	0.8
70.06580	9.2
71.04967	0.8
71.07351	2.6
71.59148	1.2
71.59530	0.7
72.04536	0.6
72.07735	1.1
72.08143	17.5
73.02905	1.8
74.06081	4.4
74.27555	0.6
79.05476	2.5
81.03421	1.2
81.04543	0.8
81.07029	0.9
81.79154	0.6
83.04980	1.0
84.04481	2.5
84.08138	15.5
85.02876	3.4
85.08468	0.9
86.06065	0.9
86.09690	2.8
87.04489	0.7
88.03976	2.7
91.05464	1.3
93.04440	0.7
93.07038	0.7
95.05007	0.8
95.06098	0.7
95.84890	0.6
97.02887	3.7
98.06031	4.1
98.97570	4.4
100.07623	0.7
102.05537	10.9
103.05443	2.1
103.06315	0.9
104.05340	1.3
104.07079	0.8
105.07002	3.0
106.06537	9.2
107.04945	4.8
110.07149	6.3
111.04430	0.7
112.99121	0.8
115.05456	1.2
116.07082	9.5
116.98584	4.4
117.07005	1.1
119.01814	1.2
119.04929	1.0
120.05761	0.8
120.08080	2.1
121.06470	1.1
122.06132	0.7
127.03908	1.0
127.07297	1.5
128.98557	1.8
129.10207	1.7
130.04944	0.7
130.06538	3.7
130.96318	1.8
131.00157	3.0
131.04906	4.1
132.08084	2.1
133.03403	0.7
133.06494	5.0
134.06003	2.4
134.99638	3.0
135.04404	11.3
135.10384	1.0
136.05084	0.8
136.06139	1.6
136.07645	0.9
143.00113	0.9
145.97655	1.1
146.06030	2.1
146.09656	0.7
146.99628	1.2
147.06825	0.9
148.07504	1.7
148.97382	1.0
149.01190	4.5
149.05972	1.3
150.96808	1.0
155.04648	1.5
156.07689	1.5
158.06003	43.6
158.99631	1.1
159.04422	1.4
159.06616	1.0
160.07574	5.4
161.01160	2.2
161.08340	1.5
162.05493	17.1
162.09135	1.5
162.99028	1.0
163.05959	0.8
163.09917	14.6
163.98659	0.9
164.04932	0.9
164.10605	0.8
165.00703	2.2
167.02274	1.5
174.09166	1.3
174.99100	1.5
176.07069	1.2
176.10632	2.9
177.00734	2.0
177.02225	0.7
177.05519	4.3
186.05489	3.6
188.09470	7.4
189.00630	1.8
190.98589	0.8
193.00157	2.9
203.11771	100.0
204.06519	7.7
204.11992	1.4
207.01703	1.3
221.10425	1.0
221.12837	0.9
231.08913	1.1
232.15439	1.5
248.99229	0.8
249.02763	2.3
249.12320	65.0
249.18129	2.4
250.02452	1.4
250.06079	0.8
250.09331	2.9
250.12640	1.7
266.99963	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	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	12.0
69.85149	40.2
78.49986	9.8
94.93002	100.0
98.97566	49.7
110.69356	8.7
116.98608	33.0
119.01916	23.3
133.03433	13.0
134.99669	16.3
143.83894	7.6
145.03561	9.3
161.02959	11.4
177.00696	22.4
194.55235	9.2
206.88528	13.2
226.95436	9.7
235.54964	8.6
249.03860	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70621	0.4
56.96557	4.8
57.57339	0.4
58.15048	0.4
58.99846	1.5
62.37178	0.4
69.89130	2.6
74.99798	0.6
77.00888	1.1
82.99839	0.9
84.96008	1.2
98.97579	3.2
101.00872	20.7
103.02440	1.3
113.00843	1.0
115.02437	1.1
116.98647	2.8
116.99317	0.5
119.01910	100.0
120.02020	1.7
121.03491	1.0
127.02459	0.8
131.01878	8.0
133.03442	1.5
134.99620	2.4
136.93613	0.5
137.02943	27.7
141.00429	0.5
142.03499	1.5
143.00162	1.0
143.01883	12.3
145.03439	9.3
146.99895	0.4
147.01384	2.8
149.02934	2.2
157.03461	2.1
159.01373	7.3
160.04547	1.0
161.01334	2.0
161.02942	48.1
162.03078	0.6
162.99164	0.5
163.04506	2.2
165.02478	0.7
170.03033	0.7
171.01396	2.9
173.03015	3.0
175.04517	1.7
177.00842	1.4
177.02426	15.8
177.03951	0.9
179.03917	2.7
180.73984	0.5
184.04607	1.4
185.02773	0.5
189.02431	26.8
191.04008	5.3
195.98326	0.8
198.02455	0.6
201.02400	3.6
203.03978	0.8
205.00261	0.5
207.03496	13.3
212.03949	0.5
216.07355	0.5
219.01707	0.3
219.03534	5.5
221.04860	0.5
223.01123	0.9
231.03534	1.9
236.47847	0.5
239.06064	0.6
247.02115	0.8
249.01915	0.9
249.04553	15.0
255.74022	0.5
267.02972	0.5
267.05426	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	248.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59803	3.0
51.74914	2.8
55.01876	3.2
55.05507	5.6
56.05032	11.2
56.96560	100.0
57.03439	8.0
57.07072	4.0
57.76604	2.9
58.06588	6.2
58.52846	2.7
60.04509	9.8
61.02915	8.9
67.05502	3.8
69.03419	3.4
69.07065	4.9
70.06238	5.8
70.06588	67.5
70.16737	6.4
70.98132	4.6
71.05010	3.5
71.95256	6.3
72.04511	8.3
72.08150	18.5
72.96027	3.8
73.02912	8.6
74.06078	9.8
74.97611	5.6
80.50865	2.9
81.04541	4.0
84.04504	16.6
84.08136	82.5
84.96024	4.9
85.02888	15.2
86.06048	3.5
86.09695	55.9
87.10035	11.9
88.04024	4.8
88.99181	4.7
90.05492	2.8
95.05029	4.0
97.02888	7.3
98.06033	4.4
98.97575	70.5
100.07616	4.3
102.05539	4.1
104.07080	4.0
106.45292	3.1
107.00195	3.7
109.02873	3.9
110.07188	14.9
112.08695	3.5
115.08698	3.4
116.07034	4.6
116.98610	85.9
117.01900	4.1
119.01865	7.8
120.08104	3.6
122.06020	2.9
124.07605	4.4
127.01491	6.3
128.98582	6.5
129.10231	20.3
130.01805	3.6
130.08606	3.5
131.00151	9.4
131.99693	4.7
133.01608	3.7
134.01215	3.4
134.99643	79.8
136.05064	5.3
136.06123	4.7
140.00188	4.9
142.01602	8.7
145.01730	4.5
146.01311	4.4
146.99637	13.1
147.11302	4.6
147.54684	5.3
149.01205	7.4
150.05513	6.2
153.00710	12.3
153.06609	8.5
154.03941	5.3
158.01260	5.4
158.04890	4.3
158.99596	3.8
160.02797	3.9
160.06435	5.5
161.01169	6.8
162.99112	4.7
163.04442	4.0
164.02307	4.1
165.00710	8.9
170.01381	3.7
173.03108	3.3
177.00671	7.2
178.07445	3.6
184.11563	3.7
187.54161	3.3
188.02251	3.9
188.05981	3.4
189.04362	12.1
190.98581	3.5
196.39099	3.5
196.54744	3.6
197.05019	3.3
202.10803	4.8
205.00249	5.3
206.06963	5.0
207.01746	6.8
207.05400	9.4
208.99734	3.2
220.07988	3.0
223.01358	3.7
224.02754	6.2
224.08083	18.3
230.06934	24.6
230.14963	5.0
231.05333	5.4
231.08745	7.7
236.58536	2.9
237.02834	4.8
248.04327	19.8
248.08096	90.9
248.11255	17.4
248.16260	9.4
249.06454	3.9
249.09772	3.6
266.09146	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	247.1329
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03936	3.6
55.01855	3.8
55.05491	5.9
56.96555	6.2
62.64352	1.6
65.03916	4.6
67.05495	11.4
69.03429	21.9
69.07062	4.4
70.06592	2.7
71.04990	1.9
71.12778	1.9
72.08127	3.8
79.05495	15.1
81.03400	1.8
81.07059	16.3
81.14814	1.4
83.04978	24.8
83.08611	1.6
85.02927	2.0
86.09682	1.9
91.05475	20.2
93.03397	3.7
93.07038	20.6
95.04974	12.0
95.08587	6.0
97.02901	12.3
97.06516	4.4
98.97574	2.3
105.07032	19.7
107.04958	5.2
107.08578	20.7
109.02874	9.9
109.06516	13.0
109.10148	6.0
111.04436	4.7
115.05437	3.1
117.07027	12.6
119.08568	24.8
121.02850	4.5
121.06509	20.2
121.10157	11.4
123.04416	1.6
123.08072	3.6
123.11655	1.7
128.06200	5.7
129.06993	7.0
130.07806	2.3
131.08553	24.1
132.05669	2.4
133.06485	4.2
133.10126	15.1
135.08054	31.8
135.11734	3.2
137.05995	7.8
137.09599	4.6
141.06937	1.8
142.07755	3.3
143.08577	12.4
144.09314	8.5
145.06502	14.8
145.10120	18.7
147.08081	10.9
147.11642	4.8
149.05962	2.1
149.09619	25.1
149.13232	1.7
150.10399	3.9
151.07526	2.1
151.11162	5.2
153.06958	3.8
153.08995	3.1
154.07716	2.3
155.08537	9.3
156.09297	2.7
157.10149	3.3
158.07266	3.3
158.10902	11.6
159.08076	13.9
159.11691	26.8
160.08807	6.1
161.09589	5.5
161.13266	1.9
163.07527	23.0
163.11200	4.9
165.09099	3.7
168.09303	3.8
169.10127	5.0
170.10924	6.0
171.08055	7.4
171.11740	2.8
172.08830	19.4
173.05971	3.7
173.08272	2.4
173.09639	29.6
173.13258	35.3
175.11234	1.8
177.09074	1.8
177.12907	2.6
183.11671	10.2
185.13243	2.7
186.10391	21.5
187.07565	4.0
187.11182	100.0
187.14758	3.0
188.11578	2.6
189.09067	3.5
191.07030	45.8
191.08731	2.5
191.10635	1.8
196.08827	7.4
199.07556	2.9
201.08989	1.9
201.12744	57.3
201.16481	3.0
203.14381	1.8
205.12193	4.3
211.11186	11.0
214.09894	3.7
219.13826	7.1
229.08769	2.4
229.12228	62.8
229.15889	4.0
229.19470	1.5
230.12567	2.4
247.13277	85.5
247.16844	9.9
247.20535	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	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78971	1.7
61.82020	1.7
63.52112	1.6
66.80847	1.8
67.22211	1.7
69.91196	10.0
72.08127	5.2
84.28928	1.7
109.55849	1.8
113.08962	1.7
167.03185	2.1
207.05659	1.9
229.03178	33.7
247.04231	100.0
248.04854	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	247.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
56.05036	0.5
56.96568	1.7
58.06596	14.9
59.05003	1.0
59.18491	0.4
61.32467	0.4
67.05495	0.5
69.03431	0.6
69.07059	0.5
69.95108	2.0
70.06583	1.8
72.08152	4.0
72.93768	0.5
79.05499	0.7
81.03402	0.4
81.07067	0.6
82.93124	0.4
84.04491	0.5
84.08141	1.8
85.02902	0.5
86.09709	1.8
88.03985	0.5
90.94839	0.5
91.05461	0.6
93.06998	0.5
97.02888	0.4
98.21514	0.4
98.97589	0.7
100.97449	0.4
103.05477	0.6
105.07060	0.7
107.08561	0.6
109.89912	0.4
110.07130	0.5
116.98638	1.0
118.11052	0.4
119.03535	4.6
119.08523	0.4
120.08102	7.4
121.02877	0.6
123.08094	0.5
124.14172	0.4
129.10168	0.4
130.06538	1.3
132.10173	0.4
132.95844	0.7
134.99603	0.8
136.06201	1.1
137.04549	2.2
147.04341	0.4
149.01245	0.4
150.96857	2.9
162.04097	100.0
163.04446	0.8
177.00664	0.5
187.11177	0.4
189.35411	0.3
191.03639	0.4
198.11801	0.3
201.12494	0.6
219.01781	0.4
247.09343	23.2
247.13306	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86079	0.6
55.05510	3.3
56.05040	3.0
56.96561	100.0
57.03433	1.2
58.06584	1.0
59.05000	0.8
59.70669	0.7
60.59194	0.6
67.05508	1.7
68.05015	0.7
69.03446	1.9
69.07052	3.8
70.02959	1.6
70.06584	10.6
70.95848	0.8
70.98120	5.9
71.06934	1.0
71.59280	0.7
71.95261	1.1
72.08150	12.2
72.93793	1.1
73.02899	1.7
74.06106	1.0
74.97601	7.9
81.03418	1.0
81.07079	0.8
83.08607	0.8
84.04508	4.0
84.08138	42.6
84.96037	4.9
85.02912	2.0
85.04034	1.3
85.06554	1.6
85.08504	0.8
86.09703	26.9
87.10046	0.9
88.03991	11.5
88.99149	6.7
90.94855	1.0
91.05478	1.3
92.98662	2.3
93.07040	0.7
95.04990	0.9
95.08614	0.8
97.02889	1.6
97.07707	0.8
98.02420	1.0
98.97569	4.3
100.07598	1.0
100.11275	2.8
100.99136	4.5
101.07970	0.8
102.05553	2.3
102.09155	0.9
102.97075	0.9
104.07206	1.1
107.00193	4.3
110.02420	3.1
110.03127	0.8
110.07200	2.1
110.97586	1.6
113.05958	1.0
113.10791	2.2
115.08713	1.2
116.07117	1.0
116.09064	1.1
116.98608	4.9
118.08667	1.2
118.12341	1.9
119.00172	8.9
119.01887	1.3
120.08110	2.6
124.07621	1.1
125.01247	1.1
125.07179	0.8
126.03751	0.8
126.05522	1.0
128.98607	6.4
129.10239	3.8
130.05000	1.0
130.08635	9.6
130.12312	1.4
130.96571	0.9
131.00208	1.2
132.10208	8.8
132.95879	1.1
133.01791	3.0
133.03473	0.9
134.99678	6.8
136.07622	2.3
137.01257	2.9
141.09245	0.9
141.10173	3.8
142.01762	0.8
143.08194	1.0
144.98071	8.2
144.99010	0.8
146.97408	0.7
146.99641	14.5
147.11249	1.0
148.06017	1.6
148.97606	4.9
149.01302	1.4
150.05603	0.9
150.96873	1.9
151.02808	1.2
153.00732	1.0
155.04747	1.1
156.10266	1.3
158.99649	0.9
159.03413	1.0
161.01215	3.7
161.03032	1.1
161.04344	0.7
162.99130	29.9
165.00713	14.3
166.08714	2.4
166.98624	3.6
168.13936	0.8
177.00816	2.6
177.04469	1.6
179.02318	1.1
181.00192	23.4
183.01897	2.1
183.11346	1.4
184.09749	1.1
184.17059	2.7
186.00787	1.2
186.99254	2.0
187.10898	2.5
196.37094	0.7
199.01280	4.5
201.06688	2.3
201.12309	9.0
202.10901	1.2
202.18069	1.6
204.01886	1.0
205.00195	21.3
205.03822	1.7
212.09341	2.9
218.99619	0.7
223.01245	62.9
225.02086	0.8
228.01859	2.2
229.05188	1.1
229.09143	1.1
229.11827	0.9
241.02306	10.5
241.60576	0.8
246.02841	4.0
247.01370	1.9
247.04440	1.9
247.07259	1.6
247.10799	1.7
247.13240	2.8
247.16362	1.6
247.20206	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	246.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02838	1.1
56.17558	1.2
56.96555	2.8
58.06301	1.5
58.06594	27.0
59.07372	3.0
60.08158	7.2
70.06565	1.6
70.92687	3.6
82.06577	5.2
84.08155	9.5
85.05264	3.5
85.09340	1.3
98.09687	2.5
98.97576	2.3
100.07610	100.0
104.82857	1.5
106.77027	1.2
112.89543	2.5
113.17321	1.3
116.98579	3.0
117.10246	53.6
117.11082	2.8
118.08660	8.8
119.01896	5.5
120.02045	1.4
121.01646	2.8
124.07554	1.6
128.07057	3.5
134.99620	2.5
137.02959	2.2
142.08565	1.3
156.04971	2.0
160.04544	3.1
163.02773	1.6
169.09714	3.1
170.08107	2.1
174.06100	2.6
187.10776	1.7
190.21686	1.3
193.00279	1.7
204.01945	1.5
205.03900	1.5
222.02673	2.8
223.01263	2.0
223.04875	3.3
240.97975	1.2
241.05943	3.2
246.04785	1.5
246.18114	92.7
264.03018	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	246.17
Annotation	2-Methylbutyroylcarnitine
Peak:m/z	Relative Intensity
53.03926	0.4
54.03483	0.3
55.05497	0.5
55.97490	0.3
56.96561	2.3
57.03434	2.2
57.07077	2.7
58.06589	0.5
60.04502	0.3
60.08162	7.4
61.02913	1.0
67.05488	0.4
67.73631	0.3
69.03428	2.2
69.07058	1.0
70.06586	2.2
71.04987	0.5
71.06911	0.3
71.58954	0.5
72.08142	2.3
73.02914	3.9
79.05485	0.8
81.03416	0.8
81.07050	0.9
83.04961	0.6
84.04489	0.9
84.08135	2.4
85.02898	100.0
85.06537	2.9
86.03248	0.5
86.06046	0.5
86.09203	0.6
86.09698	8.0
87.04464	0.5
87.10023	4.0
90.94834	0.4
91.05471	0.8
93.07036	0.6
95.04980	0.4
97.02876	2.0
97.45110	0.3
98.97588	0.9
100.07620	0.6
100.23212	0.3
103.03966	0.4
109.02918	0.3
109.10122	0.4
114.05538	0.5
115.03939	0.7
116.10733	0.4
116.98577	1.3
118.88318	0.3
119.08566	0.6
120.08112	1.5
124.07604	0.9
129.07869	0.4
129.10219	0.6
130.08624	0.3
132.95775	0.4
133.09969	0.3
134.99675	1.0
143.08560	0.4
144.10207	1.3
145.06488	0.3
146.97395	0.4
150.96936	0.4
158.12674	0.3
162.05492	0.6
177.00693	0.5
187.09634	9.0
190.04877	0.4
197.01131	0.4
200.10754	0.5
201.00595	0.4
201.09201	0.5
203.86952	0.3
210.14987	0.8
228.15887	1.4
246.11418	1.0
246.16978	29.1
247.17247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	Ile Ile
Peak:m/z	Relative Intensity
56.96568	0.4
63.66701	0.4
69.07043	0.4
70.06584	0.4
71.12527	0.6
77.05709	0.3
86.09699	100.0
87.10016	0.7
94.42692	0.2
98.97567	0.3
119.12669	0.3
132.10204	3.3
135.63402	0.2
139.52438	0.3
145.02916	0.4
159.03404	0.3
170.16583	0.3
177.05560	0.4
199.18056	1.2
245.18588	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	246.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.1
53.37668	0.8
55.01853	2.1
55.05487	3.7
56.05016	1.6
56.96296	0.8
56.96558	13.8
57.03447	4.3
58.06588	9.4
59.04974	1.9
59.07366	1.4
60.08140	2.9
61.02925	4.5
62.43266	0.8
65.20628	0.7
65.96579	0.8
67.04207	1.1
68.00247	0.9
69.03402	3.8
69.07051	2.0
69.76230	3.2
69.76643	1.8
70.02933	1.0
70.06583	6.8
71.04987	18.0
72.07795	1.0
72.08147	12.3
73.02901	6.7
77.00766	2.1
79.01278	1.1
81.03397	1.5
82.06556	2.0
83.04943	3.3
83.06084	1.6
84.04491	5.8
84.08129	18.4
85.02898	6.9
85.05264	1.3
86.09217	1.0
86.09695	14.4
87.04415	0.9
87.05565	1.7
88.01788	2.9
88.03979	1.1
89.00751	3.1
96.01545	0.8
96.04442	0.9
97.02292	13.8
97.02875	6.1
97.52470	0.8
98.01273	5.7
98.97566	12.9
99.04402	1.1
100.07606	33.1
101.00816	2.0
101.05973	2.9
102.05556	0.9
103.02303	2.4
103.83883	1.0
104.01296	4.0
106.02838	28.0
109.02271	1.8
109.02931	0.9
110.01254	1.9
110.09629	1.0
112.02825	1.7
112.08722	1.1
112.99110	14.3
113.01758	1.4
114.06598	0.9
115.02548	1.4
115.03349	15.3
116.98605	6.9
117.02035	1.0
117.09463	1.1
117.10242	18.5
117.53623	0.9
118.02822	14.4
118.08682	4.1
118.52954	1.1
119.01882	7.7
120.01965	4.3
120.08070	0.9
121.01628	1.5
123.03780	2.2
124.02782	3.3
125.03539	1.1
127.00638	2.4
127.03307	16.0
127.53468	1.1
128.98584	2.5
129.10210	4.2
130.02747	2.0
130.04955	2.3
130.08600	2.7
131.00169	21.3
131.01793	1.5
132.04361	5.7
133.01686	1.7
133.03358	19.4
133.06035	4.2
133.53474	1.0
134.03430	4.3
134.99600	3.0
136.03851	3.1
138.03001	0.9
138.04306	1.2
138.54111	1.1
139.03342	5.1
141.04910	5.4
141.10240	0.9
141.55031	0.9
142.03850	7.6
142.08498	0.8
143.11763	1.1
144.98125	0.9
145.01669	4.6
145.03389	3.3
146.03589	1.7
146.99623	1.4
147.03040	0.9
147.04892	10.1
147.07588	1.1
147.11232	3.1
148.02957	0.8
148.03880	8.8
148.04965	1.5
149.01202	13.2
150.05408	0.9
151.04384	0.9
152.55666	1.0
153.54546	1.3
154.03867	1.8
156.05412	100.0
156.55618	9.0
157.01678	1.3
157.03300	1.1
157.04459	1.4
158.99512	1.3
159.05055	1.2
160.03838	3.2
160.05084	1.0
161.02995	1.6
161.04585	0.9
162.02995	1.3
162.99010	1.3
163.02711	3.8
165.05917	6.7
167.02234	1.6
169.04381	17.5
169.09756	1.2
169.54475	1.2
173.01244	1.0
173.02756	1.0
174.04092	1.5
175.02762	5.8
175.04189	1.0
176.04619	1.1
176.56746	2.4
178.04900	59.4
178.55066	8.1
181.00096	0.9
183.11201	1.7
185.02974	1.2
186.03056	2.9
187.05449	6.8
187.10675	1.9
189.55647	1.6
193.03802	10.0
198.03043	1.4
198.06670	0.9
198.56171	2.4
202.10619	2.7
211.04860	8.6
212.09016	0.9
223.01254	1.2
223.06519	1.4
228.13515	1.1
229.03201	11.7
229.11729	2.0
229.15378	1.7
235.04820	3.2
246.05214	3.4
246.09225	5.7
246.15536	4.5
246.18053	32.2
247.04239	40.1
247.06937	1.8
247.08000	2.8
253.05847	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	244.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01851	1.1
55.05499	20.7
56.05019	1.4
56.26312	0.5
56.33535	0.5
56.96547	2.6
57.03408	0.9
59.04985	2.3
62.06079	1.2
67.05499	3.7
68.05008	0.7
69.03424	1.1
69.07053	2.3
70.06580	2.8
70.63733	1.7
71.04986	0.8
71.07354	1.1
72.08146	4.7
73.02864	0.6
74.53974	0.5
79.05471	3.7
81.03394	2.0
81.05775	1.0
81.07045	4.6
82.06574	0.9
82.24171	0.5
83.04971	18.4
83.07353	0.6
83.08596	0.7
84.04500	0.9
84.08112	1.6
85.02882	1.2
85.06538	1.0
86.06054	36.5
86.09690	0.7
91.05472	3.3
92.05776	0.7
93.07027	3.2
94.06551	0.8
95.04943	1.6
95.08587	2.5
96.08112	16.8
97.06490	1.1
97.10137	0.9
98.06059	3.5
98.09678	19.5
98.97565	2.5
99.04408	0.7
100.07596	0.8
101.06006	10.1
105.06993	1.6
107.08585	1.7
108.08118	4.2
109.06521	1.3
109.10116	1.2
110.09663	1.3
111.04430	14.5
112.07603	0.9
114.09142	1.8
115.13865	0.6
116.10713	55.7
116.98586	1.7
117.06908	0.5
119.08582	5.0
120.08064	1.2
121.04356	0.5
121.08858	2.0
121.10109	1.4
122.09641	3.6
123.08002	1.3
124.07552	2.9
124.95451	0.7
126.09111	1.0
127.07542	0.7
129.05464	4.8
129.06924	0.7
131.00122	0.6
131.08536	0.5
134.09612	3.7
134.99644	1.3
135.10402	1.9
136.11201	1.8
137.09595	2.8
138.09126	1.2
142.08612	28.2
145.10033	0.7
146.09587	1.7
147.06506	1.1
148.11195	1.1
149.01230	0.8
150.12740	0.8
152.10637	1.4
154.08598	0.8
154.12303	0.6
155.06995	4.7
157.10161	0.7
158.99644	0.8
162.12727	2.4
164.10689	14.3
165.09154	0.6
173.08061	2.7
177.00720	1.1
178.12204	1.2
180.13803	4.1
182.15382	10.7
184.09644	1.3
184.13275	3.0
187.13541	1.2
190.12245	8.3
198.14867	7.3
201.88251	0.6
208.13312	13.7
226.14348	59.3
227.14632	0.8
244.15364	100.0
245.08307	0.7
245.15746	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	245.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
53.71923	2.7
55.05508	81.9
57.03431	28.6
59.04976	3.6
67.05505	21.7
69.03419	9.6
69.07059	12.3
69.54389	24.3
69.88879	3.4
75.49416	3.0
79.05487	22.6
81.07049	23.7
83.04952	6.6
83.08610	44.1
88.17480	3.5
91.05457	8.9
93.07023	9.9
95.08590	7.1
97.10163	100.0
102.34064	2.9
105.07027	6.5
107.08576	29.4
109.06499	3.2
109.10144	7.1
117.06991	5.3
119.08552	7.8
125.09623	93.9
133.10109	3.9
135.08078	9.9
143.10663	4.5
153.09067	5.9
171.10118	9.8
175.14911	3.8
186.96823	3.2
189.11197	93.5
223.61679	3.4
245.11568	6.3
245.13779	62.0
245.18930	4.3
245.22600	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	244.1542
Annotation	N-3-Hydroxyoctanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
54.34893	0.5
55.05265	1.2
55.05508	17.8
56.05025	1.1
56.96554	0.6
59.04980	2.5
59.94286	0.6
62.06058	0.9
67.05508	3.0
69.07056	1.3
70.06568	1.9
70.14963	2.0
71.04999	0.9
71.07352	0.7
72.08143	3.8
79.05475	2.8
81.03394	1.0
81.07040	3.2
82.06569	0.9
83.04972	16.2
83.07326	1.1
84.04507	0.8
84.08121	1.0
85.02881	0.9
85.06464	0.7
86.06064	32.6
91.03944	0.7
91.05470	2.6
91.34682	0.7
93.07032	2.3
95.08580	2.0
96.08128	16.5
96.86607	0.7
98.06047	3.3
98.09683	19.7
98.97540	0.6
101.06012	9.6
104.74870	0.6
105.07035	1.6
107.08573	1.3
108.08102	3.4
109.06493	0.6
109.10152	1.1
110.09621	0.8
111.04434	12.7
112.07543	0.9
114.09182	1.3
116.10724	49.1
119.08590	5.0
121.08861	1.5
122.09638	3.2
124.07584	3.8
129.05484	4.0
131.08568	0.7
133.03424	0.8
133.10152	0.9
134.09648	2.6
135.10428	1.8
136.11253	1.5
137.09598	2.7
138.09166	1.1
142.08627	24.0
142.09743	1.4
146.09618	0.8
148.07280	1.7
148.11188	1.3
149.09665	0.8
151.04613	0.6
152.10670	1.0
154.08701	0.9
154.12323	0.8
155.07016	4.2
157.07733	0.9
162.12738	2.4
163.07864	4.0
163.57933	0.8
164.09438	1.0
164.10696	10.3
166.12250	1.0
173.08093	2.8
180.10085	0.9
180.13826	2.9
182.15399	9.4
184.13306	3.2
185.11623	0.7
190.12263	7.3
198.14818	3.9
208.13312	9.8
226.14362	51.9
227.14740	0.8
244.15430	100.0
245.15677	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01875	0.4
55.05505	19.9
56.05033	1.1
56.96560	3.3
57.03433	1.1
59.05002	2.3
60.04517	0.8
62.06073	1.2
65.03951	0.5
67.05504	3.5
67.05832	0.5
68.05025	0.7
69.03419	1.4
69.07050	2.1
70.06584	4.1
71.04981	0.9
71.07372	0.7
71.60625	0.4
71.61048	0.7
72.08149	5.0
73.02910	0.7
77.16354	0.4
79.05477	3.2
80.05018	0.7
81.03403	1.1
81.05806	1.0
81.07047	5.0
82.06593	0.6
82.86343	0.4
83.04971	18.3
83.07346	1.1
83.08611	0.6
84.04489	0.8
84.08123	2.7
84.96023	0.6
85.02899	1.8
85.06522	0.7
86.06057	39.6
86.09686	1.5
88.03938	0.4
91.05476	3.1
93.07029	3.8
94.06583	0.7
95.04956	1.0
95.08592	2.4
96.08121	18.3
97.02887	0.7
97.06525	0.7
98.06057	2.8
98.09680	22.1
98.97572	3.9
99.04477	0.4
100.07613	0.9
101.06004	10.5
105.07011	1.7
107.04944	1.0
107.07250	0.4
107.08536	2.4
108.08103	4.3
109.06526	1.0
109.10136	1.8
110.09673	1.3
110.97517	0.5
111.04426	13.4
111.08125	0.5
112.07558	1.3
114.09166	2.0
116.10718	55.5
116.98608	3.1
117.07034	0.7
117.11064	0.4
119.08568	6.1
120.08101	0.8
121.06463	0.6
121.08865	1.9
121.10114	1.4
122.09652	3.3
123.08047	0.7
123.11665	0.5
124.07585	3.0
124.11269	0.5
126.09119	0.8
127.03873	0.4
127.07546	1.0
128.98593	1.1
129.05463	5.9
131.07295	0.6
131.08543	0.7
133.10158	0.5
134.09615	3.6
134.99654	1.5
135.10413	1.8
136.11176	1.6
137.09628	2.7
138.09128	0.7
138.12744	0.5
142.03227	2.1
142.08617	26.7
145.10094	0.8
146.09636	1.5
146.99631	0.9
147.06543	1.1
147.07948	0.5
147.10487	0.7
148.11185	1.8
149.01228	0.7
149.09554	0.8
150.12764	0.6
152.10669	0.8
153.11519	0.4
154.08640	0.7
154.12236	0.8
155.07011	4.8
158.99596	0.7
162.12762	1.7
163.07816	0.7
164.10695	11.8
165.09132	0.6
166.12241	0.9
173.08073	3.6
177.00702	1.1
178.12265	0.9
180.10176	0.7
180.13820	3.4
182.15387	10.9
184.13319	3.2
190.12234	9.3
193.08095	0.7
194.11699	1.3
196.13341	1.0
198.14870	5.8
201.07668	0.5
205.08115	0.5
206.06944	0.7
208.13306	12.1
208.15231	0.6
214.08461	1.2
226.14354	59.5
227.14748	0.6
244.15417	100.0
245.15759	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	244.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48671	0.3
53.03908	0.4
55.01865	0.4
55.05507	0.5
55.93541	0.4
56.05030	4.9
56.96564	3.0
57.03423	0.6
57.05349	0.3
58.06597	1.7
60.04516	1.1
60.86970	0.3
67.05509	0.4
68.05021	0.7
69.03436	0.6
69.07060	0.6
70.06589	12.8
70.72527	0.9
71.05000	0.4
71.07352	0.7
72.04510	0.4
72.07782	0.6
72.08153	5.1
72.93777	1.7
73.73003	0.3
74.06076	3.4
78.63557	0.3
79.05501	1.6
81.03392	0.6
81.07056	0.5
82.06564	0.7
83.04971	0.8
83.06102	0.4
84.04502	4.3
84.08137	14.9
85.02902	0.7
85.04842	0.4
85.08474	0.8
86.06066	0.9
86.09702	5.0
87.10028	0.8
88.04000	0.8
88.07618	0.4
90.94829	1.5
91.05464	0.7
93.03382	0.4
95.04981	0.5
96.08096	0.4
97.02905	0.4
97.06522	0.8
98.02364	0.3
98.06065	1.3
98.09698	0.4
98.97543	1.1
99.05573	0.4
100.07590	0.6
101.10824	0.6
102.05534	100.0
103.05857	0.8
104.96360	1.0
107.04955	3.1
108.95847	0.5
109.02881	0.6
109.06480	0.4
110.07152	0.7
110.65968	0.4
111.04446	1.9
111.08031	0.4
112.05078	1.3
112.07610	0.6
112.08718	0.9
113.07152	0.4
113.96384	1.4
114.05502	0.4
115.08668	0.8
116.07095	1.8
116.96380	0.4
116.98627	1.0
119.01910	0.8
119.05029	0.4
122.97405	1.2
123.04375	0.5
124.07609	0.5
126.12811	0.3
127.03884	0.6
127.08626	0.7
127.97935	0.6
128.07111	0.4
129.10226	3.9
130.04982	0.6
130.08653	1.2
131.97437	0.9
132.10240	0.5
132.95837	0.5
133.10559	0.4
134.97421	0.7
134.99657	1.2
135.04405	3.4
136.06197	0.7
139.03903	3.1
139.08710	0.5
140.07027	0.5
141.04808	0.7
145.02821	0.3
145.98944	1.5
147.11275	1.5
148.98975	0.7
149.45847	0.3
150.05634	0.3
150.96840	0.4
152.10750	0.5
153.00691	0.3
153.05438	1.1
157.03438	0.6
160.95309	3.0
161.01176	0.4
162.09090	0.4
162.96909	0.5
163.02707	0.5
163.04059	1.2
164.02257	0.6
164.10693	0.4
165.05499	0.5
165.07838	0.4
167.97404	0.7
175.04512	0.5
175.11861	0.5
178.96300	1.9
180.10201	3.2
181.04979	1.7
182.03342	0.4
184.09624	0.7
185.09174	0.8
185.98503	1.0
190.98534	0.4
192.97824	0.5
192.99997	0.4
198.05925	0.5
198.11220	3.3
198.12953	0.8
199.05969	0.5
201.97891	0.4
202.01584	0.7
210.11096	0.5
215.78436	0.3
220.97473	1.5
220.99362	0.4
223.01237	0.4
226.10678	3.7
227.11320	1.0
244.02637	0.4
244.11766	14.1
244.16049	2.8
245.04907	0.4
260.46982	0.3
262.05902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03180	1.0
55.05505	1.0
56.05007	1.2
56.96552	3.2
59.02548	0.9
61.72341	0.8
65.42061	0.8
67.73186	0.8
68.04991	1.3
69.07038	0.9
70.06587	3.6
71.21496	1.9
72.08134	3.6
72.93787	1.6
74.02447	4.9
76.42700	0.8
84.04500	1.8
84.08138	10.1
85.08464	2.6
85.41206	0.8
86.09705	3.2
90.94774	1.2
91.05510	0.9
98.06017	0.8
98.97598	1.1
102.05529	1.2
115.05420	1.1
116.98634	1.3
117.05760	16.4
121.02892	0.9
124.07597	0.9
129.07001	6.7
129.10204	3.1
130.06522	41.0
131.07335	5.5
132.08057	1.0
134.99623	1.5
142.06482	1.1
143.07301	13.4
144.06976	1.3
144.08073	16.4
148.07547	1.4
150.96870	1.0
154.06500	17.3
155.06044	9.1
156.06853	0.9
156.08078	23.9
157.07600	19.4
158.00739	0.8
158.06007	9.5
158.08369	7.8
168.06586	0.9
169.05222	5.9
169.07527	5.0
171.09169	25.1
172.07555	0.9
172.94215	0.9
181.06143	1.6
181.07611	23.6
182.06001	6.1
182.08363	3.2
183.09174	12.7
185.07095	64.6
186.07439	1.1
187.06306	1.0
198.10246	25.2
199.08604	1.9
200.07082	2.5
203.08180	1.1
209.07060	12.1
227.08134	100.0
228.08557	1.7
244.10782	19.2
244.17105	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	244.0928
Annotation	Cytidine
Peak:m/z	Relative Intensity
55.01865	1.0
55.05495	0.9
56.05026	0.9
56.94318	0.6
56.96334	0.7
56.96561	10.3
57.03426	1.2
59.74048	0.7
60.08146	1.3
61.02918	1.0
62.70639	0.7
69.03423	1.3
69.04539	1.1
69.07079	0.6
69.77641	3.8
70.02943	0.9
70.06583	7.6
71.04983	0.6
71.95260	1.4
72.08136	2.0
84.04476	0.9
84.08138	11.1
85.02901	2.5
85.08478	0.9
86.09701	2.3
95.02454	3.3
97.02861	1.6
98.97585	5.0
107.11636	0.6
112.05080	100.0
112.99108	0.7
113.03470	2.4
116.07088	1.4
116.98622	5.6
121.21160	0.6
123.08013	0.8
126.02484	4.2
127.08733	0.7
129.10237	1.6
129.46980	0.6
131.00180	1.6
132.00732	0.7
133.03223	0.6
134.99652	2.5
141.04794	6.3
141.10181	0.6
142.96507	1.7
146.99612	1.4
147.55405	0.8
149.01169	0.8
152.05705	1.3
160.06020	0.8
160.97575	1.0
163.02933	0.8
163.04422	1.7
177.00754	0.9
178.04958	2.6
184.97581	0.7
187.00290	1.0
188.97079	3.7
200.12126	0.9
200.22556	0.6
202.98547	1.0
205.01442	1.0
206.98111	3.7
219.01556	0.6
220.99686	0.7
237.02750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15236	0.2
53.90432	0.1
56.96558	1.2
58.47012	0.2
60.95858	0.3
69.31907	0.1
70.06281	0.6
82.99876	0.2
84.08138	0.2
96.68553	0.1
98.20811	0.2
98.97565	1.7
99.97926	0.3
100.97158	0.2
101.00888	0.6
101.97177	0.1
102.00947	0.3
102.96860	0.3
116.98615	2.4
117.98946	0.7
118.98180	0.2
118.99033	0.2
119.01902	7.7
119.98214	0.2
120.01985	5.3
120.97890	0.7
121.01659	0.7
130.93336	0.2
134.99649	3.3
135.99934	1.4
137.02936	4.0
137.99213	0.3
138.03018	2.8
138.98936	0.8
139.02666	0.4
140.03508	0.2
142.03470	0.2
153.00700	0.8
154.01009	0.8
157.00000	0.2
158.99861	0.3
159.99911	0.7
161.02988	0.3
166.99838	0.1
176.02716	0.3
177.00934	6.6
178.01024	22.9
179.00656	3.3
183.99997	0.3
194.04147	0.4
194.98386	0.2
195.01974	0.2
196.02126	0.7
200.02664	0.2
201.00879	0.4
201.02637	0.3
202.00980	1.0
203.00688	0.3
218.04033	3.9
218.98659	0.2
219.01953	5.4
219.03734	0.5
220.02086	25.8
221.01746	6.2
221.04887	0.2
226.00955	2.0
226.03000	0.2
227.00659	0.2
236.99469	0.3
238.98393	0.4
239.02209	0.2
243.03653	0.7
244.02028	6.5
245.01784	0.6
257.59531	0.2
261.02826	0.3
262.03143	100.0
262.99313	0.4
263.02838	9.0
264.03467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	3.9
58.96901	0.1
65.62620	0.1
71.11140	0.4
71.95255	0.5
78.28534	0.2
84.08118	0.2
84.96052	0.2
98.96918	0.3
98.97572	6.5
101.00861	1.5
116.98607	8.9
117.98912	0.2
118.98219	0.3
118.99030	0.3
119.01909	12.6
120.02024	0.3
130.93298	0.2
134.99652	10.1
136.00003	0.3
136.99197	0.2
137.00121	0.3
137.02943	5.5
140.00301	0.2
140.98814	0.3
142.03488	0.4
153.00754	2.5
158.01239	0.3
158.99831	1.1
165.99709	0.2
173.01180	0.3
175.02998	0.3
177.00934	24.2
178.01015	1.6
178.49513	0.2
179.01183	0.2
182.99792	0.4
190.95386	0.7
193.04074	0.5
195.01945	0.6
196.94469	0.5
200.02501	0.3
201.00806	1.3
201.02379	0.2
208.96408	0.5
214.95551	5.9
217.04057	2.7
218.03850	0.2
219.01984	26.2
220.02066	2.3
221.01857	0.5
225.00827	2.2
230.93361	0.3
232.96602	7.4
233.96638	0.2
234.97958	0.2
235.99966	0.2
237.97084	3.7
242.03664	0.4
243.01912	6.5
255.98169	2.3
256.96497	0.9
260.04538	0.3
261.03030	100.0
262.03177	4.1
263.03351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1749
Annotation	Valeroidine
Peak:m/z	Relative Intensity
55.01865	8.8
55.05492	2.5
56.05012	2.9
56.96549	2.6
58.06569	1.0
59.04983	0.7
67.05483	3.3
68.05009	2.6
69.03392	2.0
69.07038	2.9
70.02928	2.2
70.06581	9.7
71.04987	27.5
71.08619	12.5
72.93759	1.3
79.05473	2.2
80.05011	1.7
81.03384	2.6
81.07029	2.8
82.03741	0.9
82.06561	0.9
83.04954	1.2
83.08595	1.4
84.08116	1.2
86.06056	5.9
86.44823	0.7
90.94805	1.0
91.05467	4.1
93.07049	2.0
94.06535	1.5
95.04963	1.0
95.07360	0.9
95.08578	2.2
96.08121	25.6
97.06529	1.4
98.06024	1.7
98.09686	21.6
99.08082	7.5
105.06986	1.0
107.04952	0.9
108.08120	6.4
109.02838	0.7
109.10198	0.9
112.07572	0.8
112.11256	3.6
119.08552	1.0
121.08825	0.8
122.06014	13.7
124.07536	1.0
125.08339	2.1
126.09187	1.0
126.12731	3.4
128.10689	2.1
130.06543	5.6
132.95840	1.4
134.99638	0.8
136.07510	1.5
136.11197	1.0
139.11145	1.5
140.07063	12.0
150.96832	1.0
151.11191	1.6
154.12231	4.5
158.97433	0.9
170.32994	0.7
176.98492	1.2
178.15903	8.3
196.16934	16.2
206.15396	15.5
224.16431	100.0
225.16675	2.5
229.90604	0.8
242.08905	2.1
242.17519	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	242.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95106	1.8
55.01858	2.7
55.93515	2.7
56.94302	7.6
56.96552	8.4
57.03424	9.8
58.06593	15.0
59.06931	5.0
61.02911	4.4
69.33559	4.5
69.33962	14.2
70.06587	4.9
71.01349	4.0
71.04990	2.9
72.08170	1.9
72.93789	10.9
73.02904	5.9
77.13522	1.7
80.04993	2.1
81.03423	2.3
83.06093	20.8
84.08138	8.1
84.38482	2.1
85.02891	4.4
85.08463	4.5
87.00748	2.3
87.04453	4.2
89.02392	3.9
90.94831	5.1
97.02911	2.3
98.21461	3.1
98.97591	4.5
101.02381	8.5
107.67852	1.7
108.95824	2.2
113.02347	1.7
113.96424	18.5
115.03917	16.5
119.01917	4.1
124.03957	5.6
129.01840	9.6
129.11113	2.6
131.97446	12.0
133.03468	8.3
143.03426	7.5
151.04434	1.8
157.01323	11.4
157.62085	2.1
158.75459	1.9
158.93796	2.7
161.03142	1.8
161.04446	8.3
175.02431	3.5
176.94798	3.2
181.95291	3.7
182.68701	2.0
183.09984	1.8
189.03944	47.8
189.05550	3.6
191.04027	2.9
196.00977	2.8
196.09731	2.3
197.10013	6.2
205.89044	2.1
207.05043	1.9
209.94859	4.4
219.01881	2.9
219.07089	3.1
227.95871	9.0
228.03593	2.2
242.10109	24.7
242.15804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05513	1.3
56.96540	2.5
57.04557	1.8
60.04507	1.0
61.90817	1.0
67.39069	0.9
67.39452	0.9
68.05016	7.1
69.00896	1.1
69.07070	1.6
69.29159	3.2
69.29582	8.3
70.06578	4.5
72.08138	2.5
79.04230	4.1
80.05010	3.3
81.03423	1.3
81.07057	1.4
82.06555	1.5
83.06104	1.6
84.04488	1.5
84.08139	15.4
85.02885	1.7
86.09702	11.0
91.05447	2.4
93.04533	2.6
94.06577	1.3
95.08598	1.5
96.04478	6.3
97.05238	3.6
98.06063	1.2
98.97569	2.8
102.60968	1.2
105.07092	1.4
110.07191	1.3
116.98611	2.9
118.53522	1.1
119.04806	4.0
120.05574	2.9
123.12570	1.1
124.03946	3.2
125.04726	3.7
129.10231	26.4
132.65839	1.1
132.95811	1.4
134.03256	1.3
134.07158	5.3
134.99722	1.5
135.05498	1.7
135.07986	1.8
136.05049	13.3
137.05836	3.8
146.03529	4.8
147.04276	41.8
148.05046	13.9
158.97366	1.5
158.99625	1.4
160.05054	55.4
161.05374	1.1
162.03003	1.3
162.06621	3.7
162.35632	1.0
163.07469	1.0
164.04536	35.1
165.05362	2.8
168.07683	4.6
169.08475	2.8
174.02969	5.3
175.03755	51.7
176.04535	24.3
176.98505	2.1
177.00720	1.3
178.06166	4.3
179.06915	5.4
180.07632	3.1
191.06860	2.7
192.04037	6.7
192.07663	81.0
196.07146	30.8
196.08842	1.8
197.07965	3.5
206.05637	3.7
207.06369	100.0
208.07155	19.0
224.06755	6.1
225.07437	4.2
242.07689	12.1
242.18733	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	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03946	0.1
55.05502	0.2
56.94302	0.2
56.96554	0.3
57.03424	0.1
58.06595	16.7
61.02913	0.2
64.19766	0.1
67.37490	0.1
68.05027	0.1
69.03411	0.1
70.06587	2.8
70.13825	0.5
71.05008	0.1
72.08156	0.3
72.93785	0.4
74.34907	0.1
81.03419	0.5
83.04951	0.2
84.08132	9.2
85.06551	0.6
86.06062	0.1
87.04472	0.1
90.94836	0.2
93.03703	0.3
96.57895	0.1
97.10138	0.1
98.06047	0.4
98.09681	1.5
98.97586	0.2
100.11264	0.4
101.02396	0.1
106.68833	0.1
113.11453	0.1
113.96407	0.5
114.05527	0.4
115.03901	0.2
116.07117	0.4
116.10738	0.3
116.98591	0.1
119.01871	0.2
124.07552	0.1
125.86008	0.1
126.05501	0.3
126.09138	0.4
128.10703	3.5
129.01845	0.2
131.01970	0.3
131.97438	0.5
132.01938	0.1
133.03473	0.2
133.96954	0.1
143.83009	0.1
144.10182	1.4
152.10695	0.3
157.01276	0.1
158.08159	0.2
167.74765	0.1
168.10210	0.8
181.95410	0.2
189.03923	0.4
196.09674	5.2
209.94688	0.1
213.15997	0.4
227.95889	0.3
241.15442	100.0
242.10037	0.2
242.15730	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	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
55.01852	7.1
55.05503	18.2
56.66341	3.0
56.96334	2.2
56.96558	25.1
57.03415	5.8
57.07053	4.8
57.36612	2.2
65.03911	2.8
65.78621	2.2
67.05496	20.5
69.03429	22.3
69.07050	15.3
70.06577	4.5
70.13506	11.7
71.04990	12.1
71.05308	2.2
71.08598	2.6
72.08146	2.8
73.02894	4.6
75.02673	2.7
79.05492	12.9
81.03393	8.2
81.07045	29.4
81.77571	2.3
83.04955	8.9
83.08583	3.8
84.08128	4.8
85.02895	12.8
85.06534	5.3
86.09697	3.1
91.05479	19.4
93.03711	11.6
93.07047	24.4
95.04939	8.3
95.08592	24.5
97.02856	9.4
97.06477	8.0
97.10163	4.0
98.97546	9.4
99.04408	5.0
105.07040	14.0
107.08584	41.7
109.02914	2.8
109.06472	10.5
109.10117	16.1
111.04422	6.2
111.08064	5.8
116.98591	7.2
117.06995	4.0
117.97289	2.6
119.08588	19.3
121.02834	17.0
121.06471	10.7
121.10148	18.6
123.07304	2.7
123.08052	28.6
123.11716	3.5
125.09593	8.2
127.03886	7.9
128.06229	3.1
129.06979	4.8
130.13460	2.4
131.08516	7.4
133.10126	16.8
134.99612	6.4
135.08046	21.8
135.11670	33.2
137.09601	99.3
141.07031	2.2
142.07755	2.9
145.10068	3.2
146.99599	3.5
149.01248	2.3
149.09622	3.6
149.13254	24.9
152.06183	13.4
153.05399	10.4
153.06677	4.3
155.04599	4.1
157.10034	4.1
158.86450	2.2
159.11694	29.3
161.01146	3.8
163.11115	2.6
165.06931	6.5
165.09174	2.7
166.07748	2.9
167.08519	24.3
169.07544	5.7
171.07964	5.7
177.00685	3.7
177.06941	4.2
177.12743	100.0
181.06451	8.0
184.05167	5.9
185.05927	3.5
185.09550	3.6
189.00620	2.8
194.99556	3.6
195.07999	42.7
195.13782	32.6
196.08435	2.7
197.01138	4.4
197.05930	7.7
198.06657	10.8
199.07410	4.6
200.98308	2.5
205.12256	11.5
212.04720	4.1
213.05476	4.4
213.09012	15.8
219.01805	5.7
223.07570	25.3
223.13260	20.2
226.06209	13.1
227.02330	13.6
237.02841	3.3
241.08525	79.5
241.12151	4.1
241.15508	3.9
241.19543	5.8
242.08868	3.2
245.03348	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	241.1433
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.05518	19.3
56.96542	7.0
57.03424	3.5
67.05497	19.7
69.03408	17.2
69.07051	13.8
70.06567	7.9
71.04967	12.4
71.13382	7.0
72.08130	3.7
75.02680	4.6
79.05472	12.8
81.07047	23.7
83.04981	20.3
83.08610	7.4
85.02863	5.3
86.09667	4.4
91.05471	13.0
93.03701	11.8
93.07047	23.6
94.59079	3.5
94.92483	3.4
95.04948	10.0
95.08595	18.3
95.80544	3.7
97.06520	9.4
98.97563	12.4
99.04452	4.6
99.08131	4.2
102.39002	3.5
105.03327	5.7
105.07016	14.7
107.04929	4.4
107.08584	42.0
109.06486	7.7
109.10125	14.9
111.04430	6.3
116.98596	8.1
117.07049	4.5
119.08559	27.6
121.06502	13.4
121.10142	20.5
123.08060	34.6
125.06001	8.1
125.09583	8.5
129.06964	4.2
131.08545	6.9
133.10097	13.6
134.99646	3.8
135.08026	18.2
135.11679	27.7
137.09612	100.0
145.10089	6.7
149.09573	6.4
149.13205	21.3
152.06290	5.7
153.06920	4.1
157.06543	5.4
158.99632	4.7
159.11682	26.1
161.13228	4.4
163.11154	6.1
167.08607	9.8
177.00662	5.8
177.12737	88.8
178.33153	4.0
195.08051	8.8
195.13776	32.2
197.17233	11.0
199.08054	7.7
205.12227	10.5
212.43578	4.5
213.09076	6.0
221.07544	7.5
223.08775	5.5
223.13184	17.8
226.06313	5.1
230.07962	6.9
241.08479	33.5
241.14172	4.7
241.19754	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	241.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39001	2.1
55.05514	12.0
67.05495	11.9
69.03425	10.0
69.07058	4.8
69.44173	21.5
71.04990	5.7
79.05477	6.3
81.07061	12.5
83.04990	2.5
83.08614	2.2
85.06547	3.0
91.05475	6.8
93.07036	16.8
95.04940	4.8
95.08592	19.5
97.06507	3.8
99.04459	2.6
102.90694	2.2
105.07036	6.2
107.08591	37.5
108.05759	2.4
109.06496	7.0
109.10126	8.6
117.06973	4.0
119.08556	20.3
121.06494	8.1
121.10117	20.4
123.08067	30.6
125.09606	5.4
127.26682	2.4
131.08600	6.1
133.10121	9.1
135.08038	19.5
135.11679	28.3
137.09607	100.0
144.09319	2.4
145.10092	2.8
149.13245	23.8
159.11662	30.0
163.14798	3.7
167.08658	4.0
169.08559	2.7
177.12741	95.5
195.08057	6.6
195.13815	31.4
205.12271	4.7
213.09016	2.7
223.07489	3.9
223.13280	14.7
241.08569	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	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
55.01872	5.0
55.05506	10.2
56.96554	1.6
57.07074	2.7
67.05495	18.1
69.03413	3.3
69.07063	6.9
70.57583	3.5
70.57973	3.3
71.04993	3.7
72.34010	1.5
73.02910	2.1
79.05491	25.7
81.03406	3.9
81.07047	20.5
83.04993	3.8
83.08617	10.2
84.75166	1.5
91.05474	8.5
93.03738	1.6
93.07034	36.2
95.04963	6.9
95.08601	38.1
97.02901	3.5
97.06538	3.6
99.04462	5.0
100.89196	1.4
105.07024	6.2
107.04945	9.0
107.08586	23.2
109.06499	2.6
109.10112	1.7
111.04356	2.1
111.08025	1.6
116.06219	1.5
116.98614	2.2
117.06993	7.7
119.08572	9.3
121.06512	4.6
121.10139	12.9
125.05981	3.9
130.07780	2.1
133.10121	2.7
134.99655	2.1
135.08051	1.7
135.11684	47.3
143.08543	1.6
145.10117	25.8
163.11183	61.5
173.09613	2.3
180.81384	1.5
181.12222	15.0
195.53024	1.6
209.11665	1.8
227.12766	100.0
241.08661	2.8
241.11964	2.3
241.19588	2.7
242.19060	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	239.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42566	1.4
53.03922	1.9
55.01859	4.7
55.05512	21.9
56.96548	4.2
57.03432	2.3
57.07063	5.5
59.04987	2.0
65.03952	2.1
67.05504	52.1
69.03423	2.4
69.07067	13.8
69.30731	7.1
69.31159	4.7
71.04993	7.2
71.66812	1.2
74.06107	1.3
79.05499	13.2
81.03406	2.4
81.07054	27.4
83.04973	6.6
83.08612	4.3
84.08103	1.3
85.02884	1.9
85.06540	4.9
87.04465	2.8
89.06031	3.6
91.05480	23.1
93.07043	21.3
95.04974	7.9
95.08609	100.0
97.06514	5.5
97.10158	2.1
99.04447	5.1
99.08094	1.7
100.88986	1.2
101.06013	6.8
103.40990	1.2
103.63124	1.2
105.07039	12.3
107.08585	9.5
109.06524	3.7
109.10142	8.4
111.04448	4.3
111.08083	3.0
117.07001	4.3
117.60786	1.1
119.08578	23.8
121.06522	1.4
121.10149	4.4
123.08045	2.8
125.06057	1.5
127.07591	1.4
129.05463	4.5
129.07008	3.1
131.08589	7.6
133.06482	2.0
133.10147	20.3
134.99564	1.7
135.08054	2.6
137.06020	3.1
137.09596	4.6
143.08543	3.9
144.08028	2.1
145.10097	2.4
147.08023	3.8
147.11679	7.5
151.07573	1.6
151.11234	6.6
151.78143	1.3
155.08546	2.4
157.10118	4.7
159.11685	4.6
161.09587	2.6
161.13248	5.3
163.03839	1.3
165.09154	2.6
169.10107	3.9
171.11705	3.0
173.13306	1.6
175.11220	2.2
175.14819	18.7
183.11725	4.4
185.13263	6.1
197.13220	5.2
203.14304	10.2
210.92152	1.7
211.07544	2.8
211.83974	1.4
221.11658	1.8
221.15404	5.7
239.06898	1.9
239.08925	17.6
239.10988	2.5
239.14355	2.9
239.18262	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	240.1593
Annotation	R-Salbutamol
Peak:m/z	Relative Intensity
55.01868	8.2
55.05491	2.3
56.05017	1.0
56.96555	1.1
57.25753	0.6
60.34323	0.6
67.05497	4.3
68.05033	3.2
69.03409	1.6
69.05798	0.5
69.07062	15.1
69.29472	6.7
70.02959	3.1
70.06584	17.5
71.04986	26.4
72.04474	0.5
76.14813	0.6
76.30177	0.5
79.05481	5.7
80.04990	1.8
81.03436	0.7
81.07050	5.9
82.06544	1.2
83.04968	1.7
84.02116	2.2
84.04483	0.9
86.06070	3.2
91.05466	1.9
93.07021	1.9
94.06580	2.9
95.04913	0.8
95.07345	1.3
95.08582	1.9
96.04478	3.0
96.08126	22.8
96.08761	1.2
97.05255	2.5
97.06513	1.9
98.06017	0.9
98.09679	10.0
98.97527	0.6
100.07605	0.7
105.07029	1.4
106.06548	6.1
107.04921	0.8
107.08595	3.5
108.08102	5.6
109.06496	0.8
109.10120	1.6
110.06043	0.9
111.08078	0.8
112.07607	1.0
116.98622	0.6
117.51656	0.7
118.04562	0.6
118.06481	0.6
120.08063	1.6
121.10165	1.0
122.06024	12.2
122.09637	0.7
124.07579	69.6
124.11199	1.8
125.08426	3.3
126.09142	1.6
131.08463	0.7
133.10100	0.6
134.06013	0.7
135.06757	0.6
135.07950	0.6
136.07523	2.2
137.09569	0.8
140.07048	15.7
148.07512	1.0
150.12759	6.4
152.07101	3.4
152.10716	3.0
152.94908	0.6
153.07841	11.4
154.08661	1.0
170.08348	0.7
173.14218	0.6
176.14330	4.4
194.15379	10.2
198.07895	1.2
204.13815	9.6
211.08731	0.7
213.10252	1.0
222.14865	100.0
223.15196	1.6
240.08987	1.4
240.12199	0.8
240.15939	5.3
240.19643	1.6
241.09541	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	240.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
56.05030	0.4
56.96544	0.9
57.03429	0.6
67.05486	1.4
68.05013	0.4
68.05804	0.4
69.03411	0.8
69.07045	1.5
70.06586	12.6
71.59160	0.3
71.59627	0.4
72.04498	1.0
72.08141	0.6
72.93772	1.0
74.06071	0.4
79.05493	1.6
80.05032	0.5
80.05844	0.4
81.03372	0.4
81.07043	2.1
82.06565	0.5
83.04965	0.8
83.08610	0.7
84.04475	0.6
84.08108	0.6
85.02874	0.4
86.09682	0.5
91.05463	1.3
93.03661	0.4
93.07025	1.9
94.06548	0.8
95.04945	0.5
95.08590	2.0
97.02888	0.5
97.06516	0.6
98.97579	0.6
105.07001	0.5
107.08588	1.4
108.08125	1.0
109.10132	0.7
110.09648	0.6
111.04427	0.5
112.07574	0.8
114.09172	0.5
116.98578	0.6
119.08596	0.5
120.08089	0.4
121.10078	0.6
122.09651	1.3
123.08063	0.6
123.10440	0.4
124.07596	4.3
124.08402	0.6
126.09105	0.5
128.10788	0.6
134.99550	0.6
135.08029	0.6
135.11664	0.8
136.07532	0.8
136.11194	1.9
137.09549	0.4
137.13229	0.5
138.09126	0.8
139.09929	1.0
140.10690	0.7
142.12239	1.4
149.74193	0.4
150.12738	1.5
151.13574	0.6
152.10646	2.3
153.11534	0.5
154.12274	2.5
156.99417	0.5
166.12273	4.0
167.08583	0.6
167.13084	1.9
168.13795	1.0
194.15421	2.3
194.47148	0.3
195.08012	0.8
195.14987	0.3
196.16951	100.0
197.17253	2.0
198.18541	1.7
222.11565	0.4
240.03374	0.4
240.06665	0.9
240.08824	0.8
240.19560	47.7
241.08578	2.3
241.19824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1276
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
53.03932	5.6
55.01860	4.5
55.05508	20.0
56.96560	10.8
57.03424	4.2
57.07060	7.0
59.04976	4.0
62.92043	1.9
65.03948	2.3
67.05500	16.6
69.03424	14.8
69.07059	16.0
69.46173	18.8
70.06617	10.0
70.06894	2.0
71.04987	13.0
71.08621	2.8
72.08134	7.3
72.93779	3.1
73.02894	2.1
78.22905	2.1
79.05498	20.7
81.03407	3.0
81.07053	98.7
83.04974	45.6
83.08603	4.2
84.04498	3.3
84.08128	7.7
85.02893	5.9
85.06550	11.4
86.09689	4.4
89.06018	6.5
90.94788	2.8
91.05476	20.1
93.07043	25.7
95.04969	20.5
95.06033	2.1
95.08600	21.0
97.02851	4.3
97.06522	26.2
98.97593	11.7
99.04418	2.9
101.05987	3.2
104.04977	2.0
105.07029	18.3
106.06502	2.8
107.04916	6.6
107.08566	15.3
109.06510	34.1
109.10155	11.4
110.07156	4.7
111.04401	3.7
111.08093	4.7
113.03455	5.5
113.05998	3.1
116.98592	8.0
117.07040	2.6
119.04900	8.7
119.08571	13.9
120.08083	3.8
121.02882	24.2
121.06493	11.1
121.10136	14.4
123.04398	5.1
123.08038	18.7
123.11727	6.3
124.07582	1.9
125.05995	4.7
127.07560	11.5
127.58939	2.1
128.06219	3.0
128.98633	2.3
129.06984	3.8
129.10172	2.3
131.00111	2.2
131.08514	4.9
132.04442	40.2
133.04794	4.3
133.06447	4.1
133.10121	11.5
134.99606	6.4
135.08070	17.9
135.11656	6.3
136.07501	2.0
137.04985	4.1
137.05968	49.6
137.09622	13.4
139.03873	4.2
139.07541	2.5
140.97383	1.9
142.07753	4.6
143.08537	3.3
144.08066	3.7
145.06400	2.9
145.10028	4.4
147.04375	8.9
147.05559	2.2
147.11653	6.9
149.01210	3.8
149.09625	12.8
151.07524	4.9
151.11148	8.1
153.09175	3.6
154.06464	6.9
155.04578	3.6
155.07138	9.8
155.08461	4.2
156.08057	4.2
157.10101	5.6
158.07219	2.2
159.11551	3.1
161.01161	3.5
161.09550	10.4
163.07509	6.2
163.11156	2.0
165.05469	3.8
165.09119	2.4
165.12703	3.9
166.06491	4.1
167.07166	3.1
167.10643	2.2
173.01178	3.8
173.09666	15.5
175.11185	14.6
177.00694	5.6
177.12770	2.4
179.10646	15.4
183.05304	1.9
183.06740	14.7
184.07529	10.6
191.02211	3.6
191.10669	11.1
193.12206	9.6
195.10242	10.1
196.06644	2.3
197.07001	2.7
197.11719	3.3
198.05373	2.9
203.10692	9.8
203.14336	2.3
206.01991	2.2
207.57562	3.1
211.06239	13.0
211.08824	14.1
212.06970	10.0
221.11684	27.8
234.05313	2.3
237.02849	2.9
239.08408	48.0
239.12755	100.0
240.08542	2.3
244.99614	2.8
257.09171	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1437
Annotation	9-Angeloylretronecine
Peak:m/z	Relative Intensity
53.03930	1.4
54.66842	0.9
55.01862	1.3
55.05510	15.5
56.05016	3.0
56.96565	7.2
57.03416	1.0
58.06619	0.8
59.06094	0.9
67.05502	2.0
67.51259	0.8
68.05026	0.8
69.03418	2.4
69.07066	5.4
69.27614	10.0
70.06590	5.7
71.04964	1.4
71.07363	1.5
72.08150	9.8
72.93767	1.0
73.02916	1.3
73.06559	11.6
79.05505	6.4
81.03407	1.1
81.07033	2.2
82.06582	2.1
83.04948	1.2
84.04480	0.9
84.08144	6.4
85.02880	1.7
86.09693	3.5
89.03860	1.7
91.05470	10.3
93.07021	3.0
95.04937	1.6
95.08602	1.2
96.08107	1.7
97.02885	2.8
97.06500	1.8
97.07664	0.9
98.97562	1.5
103.04800	1.1
103.05463	15.0
105.06374	1.4
105.07030	14.9
107.04956	8.3
107.08542	1.3
111.86565	0.8
115.05434	1.6
116.98598	2.7
117.07005	11.1
118.06528	4.3
119.04919	2.1
119.07322	1.5
120.08100	100.0
121.08430	2.0
127.03874	0.9
129.07005	5.2
129.10213	2.0
130.06508	2.1
131.04944	5.7
131.07298	1.1
131.08516	0.8
132.08090	1.9
134.99620	2.5
135.04437	1.3
142.07713	2.5
144.08095	2.6
145.03426	3.4
146.09583	1.2
147.04369	5.3
149.05991	1.5
150.09096	1.5
157.10130	1.9
158.99701	0.9
161.01247	1.8
163.03859	7.3
166.08611	5.6
169.01601	0.9
169.03387	0.9
174.12775	89.4
175.13156	2.4
177.00626	1.7
187.04506	1.9
189.05934	1.5
189.55698	1.2
191.10660	0.9
192.13823	75.2
193.14133	2.1
215.03940	1.9
215.05847	1.1
217.07298	0.9
219.01808	1.0
220.13329	24.0
232.97356	0.8
233.04990	3.0
233.07019	1.2
237.56531	1.2
238.03040	1.4
238.05289	1.2
238.10852	2.3
238.14362	49.4
238.18143	2.0
239.08803	2.7
239.14780	1.2
246.98863	0.8
249.02771	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	239.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01868	1.8
55.05515	13.3
56.96548	8.2
57.03434	3.3
57.07066	5.8
59.04979	1.9
61.12915	1.6
65.03942	2.8
67.05502	13.7
69.03403	8.4
69.07055	10.9
70.06564	5.9
71.04973	6.7
71.58925	2.4
71.59275	1.9
72.08154	2.8
72.93758	2.1
73.02917	2.7
77.03898	2.1
79.05490	14.9
81.03403	2.2
81.07053	22.1
83.04943	4.3
83.08587	3.8
84.08120	5.1
85.02888	4.1
85.06544	4.1
85.10159	1.8
86.09674	2.1
89.06007	4.4
91.05466	15.0
93.07031	33.1
95.04961	7.3
95.08593	23.2
97.02888	2.7
97.06467	3.9
98.09609	1.9
98.97573	3.5
99.08090	2.1
103.05474	2.6
105.07018	25.9
105.75768	1.9
107.04932	7.4
107.08593	25.9
108.05718	3.2
109.06501	8.4
109.10126	9.8
110.48965	1.8
111.08062	4.5
116.98621	6.1
117.07017	3.3
117.95978	2.7
119.08561	11.1
121.06481	8.1
121.09304	3.1
121.10139	44.8
122.07202	2.1
123.08058	100.0
123.11681	5.5
124.07588	2.3
124.08400	2.4
125.05933	1.8
125.09611	3.9
131.08553	6.5
133.06512	3.0
133.10132	9.2
134.99695	4.3
135.08041	36.7
137.09583	7.6
142.01022	7.0
142.07753	2.7
144.08092	2.9
145.06367	2.5
147.11659	6.5
149.08403	2.4
149.09605	48.3
149.13213	1.9
151.07498	2.3
151.11156	20.0
157.10075	4.0
158.99673	2.1
160.08839	1.8
161.09605	5.0
161.13312	2.1
163.11188	2.9
165.03125	2.1
165.09122	5.7
169.08633	2.0
175.11197	9.7
175.14832	2.8
177.00589	3.3
177.09099	12.2
179.10619	3.3
181.08679	2.3
192.37029	1.8
193.12241	8.0
195.10164	44.7
196.08701	2.0
196.16945	21.2
203.14207	2.3
219.04085	2.5
219.06395	3.0
221.11723	6.2
221.15288	4.0
228.04808	3.6
239.08905	13.1
239.12784	3.7
239.16351	6.0
240.19524	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	237.1846
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03945	2.1
55.01857	5.7
55.05505	16.5
57.03423	4.3
57.07065	6.1
59.04997	21.8
64.45651	2.0
66.38179	2.2
67.05499	27.6
69.03391	3.0
69.07066	17.7
71.04965	9.0
71.30781	4.9
72.93773	2.2
79.05479	18.9
81.03407	5.3
81.07051	100.0
83.04971	6.2
83.08599	8.7
85.06545	20.7
87.04480	10.5
91.05469	17.2
93.06464	3.5
93.07036	47.3
95.04950	8.3
95.08601	66.6
95.36050	2.0
97.06521	23.1
97.10157	4.2
99.08092	3.6
105.07019	60.5
107.08586	35.8
109.06499	7.1
109.10149	42.1
111.04443	3.3
111.08087	7.4
111.11733	3.8
113.09636	2.7
115.07532	3.0
115.96410	5.6
117.06980	3.6
119.07790	3.5
119.08562	36.0
121.06457	2.9
121.10131	35.0
123.08058	5.7
123.11697	9.9
125.09606	8.2
131.08534	9.3
133.10112	10.9
133.97520	2.6
135.07956	3.6
135.11679	27.6
137.09605	4.3
139.11160	2.4
145.10117	30.3
147.11684	15.0
149.02293	2.4
149.13158	10.4
151.11168	2.1
151.14864	2.9
159.11691	20.4
161.13245	44.8
163.11168	3.4
163.14795	7.0
173.13249	7.1
175.14799	7.9
177.12726	4.7
179.14262	18.2
189.16365	5.1
191.14285	3.5
191.17986	7.4
193.15866	22.2
201.16370	34.9
203.21922	2.1
209.11690	5.5
219.13785	5.6
219.17442	23.2
222.13953	3.1
237.14722	14.5
237.18477	96.2
237.22169	9.9
252.85468	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	237.1846
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03934	2.7
55.01850	7.1
55.05502	10.4
56.96545	3.7
57.07056	4.4
59.04996	100.0
67.05501	13.2
69.03424	1.8
69.07059	7.9
71.04946	2.2
71.05573	2.3
71.08621	1.9
79.05489	17.4
81.06573	3.3
81.07051	68.4
83.04969	3.1
83.08596	3.1
85.06531	1.9
87.04462	46.1
89.06005	3.9
91.05468	10.0
93.06469	2.6
93.07042	42.0
95.04941	6.8
95.08596	28.8
97.06519	11.6
97.10168	1.8
105.05502	3.6
105.07021	27.6
107.08581	41.8
109.06493	5.3
109.10160	11.5
111.08073	3.0
115.07571	11.2
115.96381	4.2
117.06998	5.1
119.08569	21.2
121.06521	1.4
121.10128	11.4
123.08041	5.4
123.11695	3.8
125.09613	5.5
125.31276	1.7
130.07767	3.5
131.08545	13.7
133.10109	7.3
133.97409	2.4
135.08057	4.5
135.11681	71.1
136.11977	1.8
143.08536	2.3
143.10677	4.6
145.10117	48.1
147.11662	3.5
149.13229	15.3
151.11208	1.8
151.14812	6.5
152.39319	1.8
158.76974	1.7
159.10425	3.0
159.11679	40.6
159.13010	2.4
161.13240	27.8
163.11060	2.6
163.14766	3.8
173.13216	5.1
181.08568	2.0
189.16359	5.6
191.14232	3.4
195.11700	3.8
201.16348	19.1
209.11629	2.4
219.17410	33.4
237.14568	7.6
237.16562	3.4
237.18468	61.7
237.22110	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	237.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01858	1.3
55.05505	6.9
56.96553	0.8
57.03435	0.3
57.07061	0.6
65.03936	1.0
67.05164	0.6
67.05497	7.7
69.03425	0.9
69.07059	2.2
69.93690	1.7
71.04979	2.4
72.93775	0.3
75.13608	0.3
79.05058	0.4
79.05487	4.8
81.03407	4.0
81.07051	7.7
83.04983	2.2
83.08609	1.9
85.02910	1.6
85.06512	0.8
91.05476	5.2
93.07034	5.4
93.81116	0.3
95.04960	100.0
95.08601	6.2
96.05274	0.7
97.06505	1.2
97.10149	1.0
99.08102	0.3
105.07011	3.0
107.04938	0.8
107.08598	2.6
109.06504	4.5
109.10154	2.0
111.04429	0.4
111.08064	0.9
115.05463	0.5
115.96463	0.7
116.42094	0.3
117.07021	2.6
119.08566	3.0
121.06503	2.3
121.10146	2.2
123.04373	0.5
123.08082	1.2
123.11649	0.4
125.09623	0.7
129.07007	0.7
131.08557	3.6
131.97461	0.3
133.06480	0.5
133.10126	2.8
133.97496	0.8
135.08041	2.1
135.11674	1.2
137.09608	1.0
139.03839	0.4
141.07013	0.5
143.08554	1.0
145.10129	1.1
147.08096	0.4
149.02339	4.7
149.03453	0.5
149.09610	0.8
149.13258	1.6
155.08536	0.8
157.10117	1.3
159.11676	2.8
161.09610	2.8
165.06873	0.3
173.09689	0.4
173.13235	2.2
177.12732	5.8
183.11697	1.1
184.09152	0.4
191.14352	1.3
193.04945	3.0
193.09949	0.5
201.12735	2.2
219.13756	1.6
219.17552	0.4
237.07520	2.5
237.14677	4.6
237.22079	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	237.1121
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
51.88815	1.1
55.05501	4.5
57.03431	2.3
65.03919	1.7
67.05505	8.2
69.03423	18.3
69.07065	6.7
69.31387	1.1
70.06573	1.5
70.86120	3.7
71.04992	1.9
72.36880	1.1
73.32108	1.1
79.05479	9.7
81.07050	9.8
83.04955	2.5
84.08118	1.7
85.02897	1.6
91.05470	11.4
93.07056	11.5
95.04973	2.1
95.08604	17.2
97.02886	1.8
97.06498	2.1
103.05495	1.4
105.07026	16.5
107.04910	2.9
107.08604	13.9
109.06496	9.3
109.10091	3.0
111.04434	1.2
115.05440	2.9
117.07004	5.4
119.08573	12.7
121.06506	11.6
121.10116	8.9
122.07278	3.1
123.08067	9.7
123.11703	1.4
129.07001	2.0
129.10281	1.8
130.07784	4.1
131.08548	3.8
133.06451	3.1
133.10088	3.5
135.08044	42.5
135.11655	3.8
136.08429	1.2
137.05968	16.7
139.07567	1.6
142.07732	3.7
143.08551	1.8
145.06496	3.1
145.10103	15.3
147.08029	3.2
147.11659	6.4
149.06004	3.1
149.09625	11.4
150.06728	2.3
151.07521	8.6
151.11151	1.5
155.07036	2.1
157.10144	2.5
158.07216	1.9
159.02798	1.3
160.08884	6.5
163.06252	2.0
163.07539	18.8
163.11177	23.2
165.09090	2.2
165.12653	1.9
173.09642	13.1
175.07585	2.0
175.11171	24.1
176.08298	2.0
177.05453	2.3
177.09094	5.2
191.10661	100.0
192.11035	3.0
193.12141	9.8
195.10051	1.3
201.09016	3.1
206.63911	1.3
209.11740	3.3
219.10179	10.0
219.13840	1.2
224.74446	1.3
237.11212	11.0
237.14757	2.5
237.22116	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	237.1233
Annotation	Phe Ala
Peak:m/z	Relative Intensity
50.47995	0.3
55.01865	0.4
55.05505	1.4
56.05011	0.8
56.96555	1.2
57.03416	0.6
57.07061	1.0
63.14214	0.3
65.46818	0.3
67.05486	1.3
67.97795	0.3
69.03432	0.6
69.07057	1.7
70.06595	2.9
70.19868	1.3
72.08155	1.9
79.05483	1.5
81.07049	1.7
82.82423	0.4
83.04987	0.8
83.08626	0.5
84.04494	0.5
84.08138	3.6
85.02892	0.5
86.09718	2.2
88.03967	0.5
90.05561	0.6
91.05458	1.3
93.07043	2.7
95.04990	0.9
95.08603	1.1
97.02883	0.3
97.06524	0.6
97.10184	0.4
99.83096	0.4
103.05457	5.7
105.07025	0.6
107.04932	0.4
107.08593	1.2
109.06518	0.5
109.10180	0.7
110.07158	0.6
118.06571	0.6
119.08597	0.5
120.08097	100.0
121.06483	0.6
121.08421	0.9
121.10161	0.8
123.04436	0.4
123.08093	0.4
125.09639	0.7
129.10245	1.1
131.04948	0.5
131.97414	0.4
134.06062	0.4
134.99646	0.8
135.04347	0.3
136.07506	0.4
146.05988	1.3
146.09647	0.9
149.13336	0.5
177.09073	0.4
191.11845	0.5
192.10211	0.9
206.08440	0.4
219.06747	0.6
219.10390	0.4
219.21056	0.5
237.07507	0.8
237.12418	1.9
237.14635	0.7
237.18698	0.5
237.22087	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	237.1119
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.03937	1.6
55.01874	5.0
55.05506	8.8
56.05019	1.5
56.96563	14.9
57.03434	5.5
57.07070	3.1
60.04515	2.0
61.02908	1.9
65.03926	1.6
65.68272	1.0
67.05499	14.8
69.03069	1.8
69.03426	26.5
69.07059	10.3
70.06583	6.0
71.04974	4.1
71.17805	1.0
71.18155	2.6
72.08156	8.6
73.02917	10.3
79.05482	14.2
81.03408	2.1
81.07041	14.6
83.04977	5.5
83.08611	1.9
84.08130	8.3
84.96027	2.9
85.02901	5.9
86.09693	11.5
87.04453	2.8
87.10020	1.4
91.05470	17.0
93.07043	17.4
95.04949	6.2
95.08598	21.9
95.68539	1.0
97.02877	8.2
97.06509	4.6
98.97565	8.2
99.04474	1.3
103.05466	3.6
105.07024	25.4
107.04947	3.6
107.08579	18.5
109.02888	1.6
109.06515	12.1
109.10135	3.4
110.07125	1.8
110.97556	1.5
111.04401	1.8
111.08073	2.4
113.05965	1.3
115.05431	3.0
116.98643	7.5
117.06999	7.3
118.06501	1.2
119.08571	14.5
120.08094	6.8
121.06522	15.0
121.10141	13.3
122.07275	2.1
123.04458	2.8
123.08048	16.3
123.11729	1.5
125.05975	3.5
125.09592	2.0
126.23963	1.2
127.03860	2.4
128.06154	1.1
128.98639	2.3
129.06996	3.1
129.10193	2.8
130.06520	1.1
130.07764	4.3
130.08617	1.2
131.00185	2.0
131.04912	1.6
131.08569	8.6
131.97411	1.1
133.06497	5.5
133.10107	3.7
134.99681	5.0
135.04469	1.1
135.08046	58.5
135.11661	5.8
136.06139	1.6
137.05963	19.7
137.09578	2.6
139.07503	3.0
140.07056	3.7
142.07736	6.5
143.00150	1.4
143.08536	2.2
145.06511	4.3
145.10101	15.7
146.06000	2.9
146.07202	1.4
146.99631	2.6
147.04367	1.1
147.08047	3.7
147.11697	8.7
148.05144	1.5
149.01219	1.2
149.05959	3.6
149.09604	15.5
149.13303	1.2
150.06775	1.6
151.07518	10.2
151.11163	2.5
153.05449	1.4
155.07021	3.2
155.08521	2.2
157.10109	2.5
158.07266	2.8
159.08032	2.3
159.11671	4.8
160.08813	6.6
161.01221	2.6
161.06081	1.3
161.09517	1.5
162.06802	1.6
162.99248	1.9
163.07552	19.8
163.11174	27.0
165.09024	1.4
165.12732	2.3
173.09650	11.9
173.13187	2.0
175.07611	1.9
175.09717	1.1
175.11165	30.1
176.08321	2.5
177.00670	1.5
177.05466	1.8
177.09109	3.4
177.12787	1.6
180.75607	0.9
185.10658	1.9
188.54932	22.8
189.05104	2.8
191.10655	100.0
192.11078	2.3
193.10497	3.6
193.12257	12.3
195.10161	1.7
200.05745	1.9
201.09108	2.4
201.12692	2.1
209.11707	3.9
210.05424	1.2
214.03885	6.4
219.10121	9.2
219.13771	3.1
232.04921	3.9
236.55981	10.9
237.02858	2.5
237.06117	3.0
237.09053	1.7
237.11165	15.3
237.14899	7.7
237.18396	1.5
237.21947	5.5
256.04803	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	237.0868
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
53.58883	0.3
53.73457	0.2
54.23743	0.3
55.05490	0.5
56.05031	0.5
56.96559	1.4
57.69792	0.2
58.06588	0.3
67.05524	0.2
69.07050	0.5
70.06585	1.8
70.32420	1.0
72.08134	1.2
73.02905	0.4
74.02435	6.0
79.05479	0.4
81.07040	0.9
83.04939	0.3
84.08144	1.5
85.02897	0.3
86.09698	1.2
91.05473	1.0
93.07018	0.3
94.06535	0.4
98.97532	0.5
102.05534	0.4
107.08627	0.3
110.07164	0.4
116.07040	0.3
116.98583	0.4
118.06509	2.0
120.08092	1.3
124.49131	0.3
128.04945	4.6
129.10260	0.6
130.06500	1.0
131.00113	0.5
132.04446	0.8
146.05994	100.0
147.06389	1.6
148.03903	1.1
155.04547	0.3
155.54779	0.4
157.07640	0.3
158.05991	0.7
173.07059	0.9
175.08734	0.5
191.08163	1.4
197.08253	0.3
209.09399	0.3
219.07745	1.6
237.08705	3.7
237.12433	0.7
237.22066	0.9
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
55.05497	1.0
56.52542	0.3
56.96553	0.9
57.07062	0.9
67.05492	0.9
68.05009	0.5
69.07034	1.2
70.06577	1.3
71.58920	0.6
72.08143	1.0
72.93783	0.5
74.02433	3.6
74.09250	0.4
75.03231	0.8
79.05483	0.9
80.05003	1.0
81.07047	1.1
83.04952	0.9
83.08610	0.9
84.08121	1.4
86.09695	1.2
91.05471	2.5
93.07022	1.1
94.06565	3.2
95.04957	1.0
95.08604	1.2
99.00826	0.8
103.05459	1.4
104.05000	0.8
105.07041	0.5
106.06512	0.7
107.04931	0.7
107.08578	0.8
108.04482	0.8
108.08153	0.4
110.06010	1.4
116.98696	0.5
117.05774	0.8
118.06535	9.1
119.06059	0.6
120.04468	2.4
120.08099	21.0
121.03965	0.4
121.10107	0.6
122.05988	0.6
123.05563	0.6
128.04955	5.0
129.10228	0.5
130.06522	9.3
131.04930	0.8
131.07289	1.1
132.04454	1.8
133.05254	1.5
135.11708	0.4
136.07567	6.0
137.06033	0.4
144.08083	0.5
145.07594	1.2
146.06000	100.0
147.06358	1.6
148.03915	12.9
149.05986	0.6
150.05524	2.1
152.07111	0.4
156.04506	0.4
157.07600	8.4
158.05959	0.9
159.09192	1.7
162.05498	0.6
163.08643	1.0
164.07045	2.9
166.08638	11.8
173.07065	3.2
174.05510	12.4
174.07846	0.7
175.05771	0.6
175.08746	0.5
178.04985	1.6
179.11801	0.6
191.08151	16.2
191.11845	0.9
192.06544	3.5
192.10173	0.5
202.05019	2.4
203.08148	6.7
204.08897	0.6
219.07715	0.9
219.21111	0.4
220.06033	4.4
220.08308	0.7
237.08711	8.6
237.12430	1.6
237.14642	0.4
237.16028	0.8
237.22119	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	236.095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73691	0.5
53.03934	1.0
53.67988	0.5
54.96660	0.5
55.01868	9.0
55.05508	4.6
56.05048	0.5
56.96558	2.9
57.03424	1.1
57.07075	1.0
58.99582	3.6
60.04512	1.7
67.05495	1.6
69.03425	1.3
69.07064	100.0
70.01907	1.5
70.02327	1.4
70.06590	6.4
70.07388	0.8
71.05010	0.9
72.08154	4.4
72.93772	0.8
73.02907	2.1
73.06551	17.9
76.02229	2.3
79.05486	1.3
81.03429	1.2
83.05000	1.3
84.08150	5.0
85.02892	1.3
86.09697	7.9
86.99031	2.7
87.02687	14.9
87.03191	1.1
87.04453	1.1
87.09997	0.6
88.04003	1.2
90.94810	0.6
91.05494	2.1
93.07060	1.0
95.04964	0.8
95.06111	0.9
95.08608	0.7
97.02896	1.7
97.06527	28.7
98.97621	1.4
101.04241	3.4
105.00089	2.6
105.07085	1.0
106.06549	0.7
107.04979	1.5
109.02860	0.7
110.07184	1.8
111.07439	0.7
115.07562	30.9
116.98645	1.8
118.06488	0.6
120.08095	3.5
121.08899	1.3
121.10184	0.7
122.02741	0.6
122.09638	0.7
123.04359	0.8
127.01971	0.5
127.03908	9.5
127.05805	0.8
128.04263	0.6
129.03693	6.2
129.10239	1.5
130.08621	1.2
131.08669	0.5
134.09669	1.0
134.99675	1.6
135.08063	1.3
135.10439	0.6
136.08476	1.0
137.05994	0.6
145.08891	2.2
149.01273	1.3
150.09135	1.4
150.96901	0.6
151.07620	0.8
172.07961	0.7
174.12717	1.2
177.00742	0.8
177.03268	1.3
177.07704	0.6
181.91660	0.5
190.08961	2.3
190.12404	0.8
190.78589	0.6
192.13797	5.8
198.14929	0.6
201.00659	5.2
218.08447	1.8
219.01840	2.1
219.06856	29.5
236.09450	5.3
236.12723	2.4
236.16435	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	235.1689
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
50.66522	0.7
51.74433	0.9
51.90691	0.8
53.03933	1.3
55.01860	2.8
55.05505	6.9
56.96552	2.4
57.03419	0.9
57.07066	12.9
57.98742	0.7
59.04983	3.2
67.05494	11.8
69.03416	4.5
69.07063	11.8
69.95560	3.2
69.95972	1.3
70.06568	0.9
71.04969	3.4
72.93758	0.9
78.21866	0.8
79.05487	11.1
81.03385	2.1
81.07044	16.6
81.15636	0.8
83.04970	2.8
83.08611	5.7
85.06528	4.3
85.35162	0.8
91.04892	0.9
91.05468	16.1
93.06463	1.1
93.07029	16.0
95.04948	7.8
95.08590	21.6
97.02815	0.8
97.06519	9.7
99.04401	1.1
99.08042	0.8
103.05421	0.9
105.07019	29.9
106.41692	0.9
107.04926	1.9
107.08579	29.4
109.06493	8.3
109.10141	15.3
110.07183	1.6
111.04412	0.9
111.08084	3.9
112.99116	2.9
113.96405	3.9
115.05469	0.9
117.07008	5.5
118.07725	0.8
119.08566	95.0
120.08913	1.0
121.06484	3.1
121.10128	14.6
123.04420	1.3
123.08053	6.1
123.11716	5.1
125.09570	0.9
128.06171	2.5
129.06990	2.5
131.00150	5.9
131.08554	17.2
131.97420	3.5
133.06483	2.6
133.10110	50.5
135.08041	22.3
135.11711	5.9
137.05965	1.5
137.09596	6.5
139.11176	2.7
142.07759	4.4
143.08539	10.1
144.09317	2.6
145.06482	1.0
145.10106	13.9
146.07234	3.0
146.10916	1.1
147.08014	8.4
147.10489	1.2
147.11650	19.9
149.01202	10.0
149.02287	1.6
149.09633	3.8
149.13232	3.4
151.11183	11.1
155.08441	0.9
156.09323	2.9
157.10095	13.3
158.10913	3.2
159.11668	14.1
160.08823	1.6
160.12476	1.2
161.09607	33.7
161.13205	4.5
162.10191	1.3
163.11179	1.2
167.02238	2.0
169.10078	2.3
170.10828	1.9
171.11664	7.2
173.09644	1.0
173.13231	21.9
174.13986	0.9
175.11157	13.1
175.14796	21.2
176.11929	1.3
177.12726	7.1
179.10631	13.2
184.12433	3.3
187.11115	4.4
187.14767	4.4
189.12708	3.4
189.16350	21.1
191.07010	1.1
191.14258	4.4
193.03818	1.1
193.12222	1.2
193.15854	2.8
199.14810	12.8
202.13513	2.7
208.10239	0.8
217.15845	100.0
217.19357	2.6
218.16199	2.2
235.04979	1.6
235.16898	85.1
235.20683	2.6
236.17220	1.5
253.06010	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	235.1327
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03939	3.2
55.01862	4.2
55.05499	4.1
56.96539	1.4
57.03419	0.8
57.07060	2.1
59.04993	0.5
65.03921	1.7
66.01280	0.6
67.05167	0.6
67.05505	9.2
69.03426	4.0
69.07059	4.1
70.06569	0.5
70.89260	0.7
71.01355	0.7
71.04984	2.3
73.02940	0.5
73.31774	0.5
79.05489	24.5
81.03400	2.1
81.07053	40.5
83.04979	5.0
84.15874	0.5
85.02892	0.7
85.06523	2.1
91.05474	21.7
92.75515	0.5
93.07038	44.0
95.04360	0.6
95.04969	12.2
95.08597	9.6
97.02885	0.5
97.06528	9.2
97.10139	0.6
98.97581	1.3
99.04456	4.4
101.06010	1.0
103.05463	1.0
104.73142	0.5
105.04508	1.0
105.06297	0.6
105.07023	24.6
107.04953	8.4
107.08595	11.3
109.06514	26.9
109.10158	1.4
111.04403	1.0
111.08068	1.2
112.99097	0.8
113.96385	0.7
115.05460	1.5
116.98613	1.0
117.07009	3.6
119.04916	1.2
119.08573	16.0
121.06499	100.0
121.10117	1.8
122.06768	0.7
123.04430	4.9
123.08051	3.3
125.05983	2.1
127.07549	9.7
127.13952	0.5
128.06230	2.8
129.05479	0.9
129.07001	6.1
129.95164	0.5
130.07742	0.8
131.00116	1.3
131.08560	4.4
133.06500	4.1
133.10129	6.8
135.04420	4.5
135.08051	7.0
135.11674	1.4
137.05969	5.1
139.07526	4.8
141.06915	1.1
142.07764	5.0
143.06940	0.7
143.08566	8.8
145.06467	1.5
145.10115	5.7
147.08023	4.4
147.11687	12.5
149.01222	1.1
149.05997	0.6
149.13341	0.5
151.07509	0.9
153.06955	0.9
155.08548	1.4
156.09337	4.4
157.06519	1.3
157.10124	12.2
158.07234	1.2
159.08049	1.4
159.11687	1.0
160.08795	1.0
161.05966	2.9
161.09625	2.5
161.13255	4.8
163.07591	0.5
163.11192	0.7
165.07021	1.6
165.12778	1.1
166.07793	3.1
171.08032	1.5
171.11684	13.9
173.08174	0.5
173.09650	2.2
173.13214	0.6
174.10455	0.8
175.07652	0.9
175.11177	24.6
179.10580	1.0
181.10095	4.0
184.08835	1.7
189.04263	0.8
189.12743	19.8
189.16391	0.6
191.10594	0.5
193.12152	0.8
199.11172	21.2
207.05397	1.0
207.13840	0.6
217.12233	35.9
218.12506	0.8
235.13322	21.4
235.16803	5.0
235.20372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	18.8
61.02918	0.9
69.76184	0.4
69.76591	1.1
70.06236	0.5
70.06586	5.4
71.95247	0.6
72.96031	0.9
74.97599	0.4
75.93458	0.3
81.04545	0.4
82.05325	2.1
83.06084	0.9
85.02883	0.5
87.90533	0.2
93.04519	0.4
95.06059	0.5
98.21365	0.4
98.97577	4.9
100.99100	0.2
101.00873	0.7
103.00706	0.4
110.06386	0.5
110.07153	15.1
112.99120	53.0
116.98613	3.3
119.00158	0.7
119.01908	0.9
121.01680	0.4
121.03981	0.5
131.00159	100.0
132.00494	0.7
133.03445	1.0
134.99686	1.4
137.07054	0.3
138.06578	0.5
145.01674	0.3
149.01207	75.8
150.01671	1.1
151.01556	0.3
154.01733	1.9
159.04945	0.4
162.10258	2.1
163.02757	0.6
166.06097	1.1
167.02260	8.2
172.02827	1.6
173.01251	0.4
175.02768	6.3
177.06059	0.5
181.75818	0.2
188.97017	0.4
191.02295	0.9
193.03828	14.8
194.04155	0.3
195.07109	0.4
207.01875	0.3
207.12395	1.3
211.04883	12.5
216.05418	0.6
217.10806	0.6
229.05833	0.3
234.06433	0.3
235.04845	20.7
235.06662	1.1
235.11865	24.1
236.12129	0.3
239.41655	0.3
253.05931	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	235.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87678	0.3
56.96560	17.1
69.56566	2.5
70.06585	3.7
71.95257	0.9
72.96059	0.6
74.97573	0.5
81.04552	0.4
82.05334	1.9
82.98058	0.5
83.06126	0.4
97.96850	0.4
98.20606	0.3
98.97565	4.3
101.00848	0.4
103.00693	0.7
110.07160	11.8
112.99123	56.8
116.98609	2.7
119.00136	0.4
119.01885	1.3
121.03895	0.4
131.00162	100.0
132.00508	0.6
134.99628	1.0
137.01259	0.5
149.01212	71.8
150.01651	0.9
154.01755	2.0
157.03557	0.5
162.10208	1.4
163.02751	0.6
166.06084	0.8
167.02267	8.4
167.59778	0.3
172.02814	2.2
175.02768	6.0
179.71391	0.4
191.02295	1.1
193.03833	14.6
195.07130	0.6
207.12401	0.9
211.04890	11.0
217.10889	0.5
227.06911	0.4
235.04849	20.8
235.06639	1.1
235.11879	16.2
253.05946	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	235.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86803	0.7
56.96564	21.6
57.07072	9.5
67.05497	1.1
69.07062	1.3
70.02120	3.8
70.06577	1.3
72.93790	10.1
81.07041	1.4
90.94833	3.8
95.08560	0.8
98.97588	6.0
105.07003	1.1
107.08604	0.9
109.06472	1.1
112.99127	20.0
113.96401	20.3
116.97278	0.8
116.98628	7.6
119.08575	0.9
123.08076	0.7
123.11765	0.8
130.93292	1.4
131.00166	60.8
131.97435	27.1
134.99646	7.5
149.01218	100.0
150.01613	1.0
153.00662	1.2
154.01755	5.0
154.99025	4.5
158.01274	1.1
158.99544	0.9
167.02278	17.7
167.03685	1.1
172.02837	10.3
175.02797	4.9
179.10664	5.6
188.92458	2.4
189.00659	1.1
190.03853	1.2
193.03827	9.4
195.23265	0.7
211.04877	10.5
211.92941	1.7
213.59180	0.7
216.05424	2.0
228.90118	1.6
229.94211	1.3
234.06529	1.3
235.04868	17.7
235.16908	20.2
235.20515	1.2
246.91081	5.6
253.05972	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	235.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05005	0.6
56.96557	24.0
57.03428	2.3
57.07074	2.6
59.59106	0.5
60.04526	0.7
61.01133	0.5
61.02920	9.0
67.05467	0.5
69.03423	0.6
70.06593	1.4
70.45213	0.9
70.45606	1.1
70.98119	1.0
71.04994	0.6
71.95258	1.3
72.96030	0.9
73.02902	0.5
74.97604	0.7
84.08162	0.6
85.02904	1.6
88.99168	1.0
98.01292	1.1
98.97573	6.9
105.02031	0.6
110.07156	4.7
112.99118	32.2
113.02340	1.0
116.98601	5.5
118.00991	0.7
119.01814	0.9
120.00753	1.0
127.01521	1.2
128.02222	0.8
131.00153	86.5
132.00708	1.6
133.03368	0.9
134.99672	2.8
140.00345	0.7
141.01236	3.0
142.96535	1.4
146.99623	0.7
149.01201	100.0
150.01753	8.9
151.01648	1.0
154.00168	0.9
154.01723	1.4
157.02573	0.8
158.99551	0.5
159.02284	1.1
160.97537	1.5
161.00963	0.8
162.10251	0.5
163.02676	0.6
165.00710	0.9
167.00903	1.1
167.02258	14.4
170.01553	0.7
172.02768	2.4
174.99141	1.0
175.00626	0.7
175.01279	0.7
175.02756	6.5
177.00626	0.9
177.05997	0.5
179.10629	1.8
188.97000	3.1
190.98633	0.7
191.02130	1.8
193.00153	2.4
193.03810	13.1
195.07262	0.5
198.90802	0.5
200.20639	0.5
202.98624	1.0
205.00128	1.2
205.01830	0.9
206.98058	2.3
207.12291	0.6
211.01511	0.6
211.04875	12.9
214.02208	0.5
219.01611	0.7
220.99759	0.8
232.99731	0.7
234.25612	0.5
235.04836	19.8
235.09735	0.4
235.11848	6.6
235.14026	0.9
235.14787	0.6
235.16830	5.2
253.05917	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	234.1488
Annotation	Crispine A
Peak:m/z	Relative Intensity
51.21954	0.5
53.03931	1.8
55.05507	0.9
55.93530	0.9
56.96294	0.6
56.96560	10.5
57.03416	1.6
57.07069	0.8
58.16083	0.4
60.04512	0.6
61.02952	0.5
65.03922	0.8
66.75315	0.5
67.05484	1.6
69.03405	1.0
69.07064	0.8
69.57002	0.4
69.63024	1.6
69.63456	1.7
70.06577	1.0
71.01353	0.5
72.08138	1.1
72.93787	1.1
73.02895	2.1
74.97555	0.9
79.05462	1.5
81.03408	0.6
81.07034	1.0
84.08128	1.5
84.96017	1.9
85.02874	1.5
86.09692	1.1
88.07588	0.9
91.05472	38.8
92.05804	3.1
93.07027	1.4
95.04959	2.8
95.08590	1.7
97.02876	1.7
97.06506	0.6
98.97572	7.7
105.03381	19.7
105.04468	1.1
105.07021	2.0
106.03716	2.5
107.04927	0.9
107.08576	1.2
109.06449	0.6
109.10121	0.7
110.07156	0.9
110.97582	0.9
112.99083	0.8
113.96373	0.7
115.03964	0.8
115.05447	0.7
116.98614	5.5
117.07009	0.8
118.06528	4.1
119.08543	1.4
120.08085	1.8
121.02861	7.5
121.03760	0.7
121.04053	0.4
121.06535	0.8
123.04419	0.5
123.08082	1.0
128.98561	1.3
130.06512	0.7
131.00145	4.0
131.01680	0.6
131.08598	1.0
131.97440	1.3
132.04399	0.8
132.08060	7.5
132.08955	0.9
133.08873	6.5
133.09933	0.7
134.06003	0.7
134.99644	4.1
136.06273	1.1
136.07553	0.6
137.76212	0.6
143.03592	0.8
144.08055	1.1
145.10092	0.8
146.05984	16.9
146.09584	1.0
146.99635	1.7
147.08093	0.6
147.11642	0.6
148.07536	0.8
149.01199	7.8
149.96065	0.8
152.04053	0.8
154.02025	1.1
155.03583	0.9
158.09628	0.5
158.99612	1.5
159.11681	0.6
160.07559	1.8
161.01189	1.4
161.08331	2.2
162.09106	3.3
162.12764	2.1
162.96915	0.8
163.02563	1.7
163.03816	0.7
164.04095	2.8
164.54240	0.7
167.02263	3.8
168.98093	1.3
171.11621	0.6
172.02995	1.5
172.11174	0.7
173.01172	1.3
173.13185	0.5
174.09151	0.7
176.07019	0.5
176.10670	9.4
177.00677	3.0
177.11456	9.2
186.99130	6.8
187.99509	0.6
189.00671	1.6
190.08617	24.9
190.12225	10.7
191.02306	2.5
201.00696	0.7
203.02306	1.3
204.10167	1.9
205.00204	3.0
205.10939	0.9
206.15370	1.1
211.02765	0.7
213.04138	3.9
213.54286	1.0
216.07413	0.6
216.13924	0.6
217.15649	0.6
219.01724	3.3
222.04681	4.4
222.54767	1.0
229.03786	1.2
231.05347	0.6
231.55426	0.7
233.55507	1.0
234.14868	100.0
235.15106	0.9
235.17123	1.2
237.02843	1.3
243.01741	0.8
253.00046	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05502	7.3
55.93517	1.3
56.96545	2.3
57.03418	2.6
57.07070	4.5
58.06584	0.8
59.04999	4.6
61.01131	0.9
67.05477	2.6
69.03407	2.8
69.07043	3.0
70.02946	7.9
70.06564	4.2
71.04972	1.0
71.08604	2.8
71.44084	1.3
72.04518	13.0
72.08141	2.5
73.02910	1.4
73.08441	1.0
74.02410	2.4
74.24412	0.9
77.62791	0.9
78.66228	1.0
79.05505	6.8
81.03411	1.1
81.07057	20.5
83.08615	6.1
84.04469	3.8
84.08154	4.7
85.06514	3.5
86.06063	12.7
86.09697	1.7
87.04492	1.5
88.07616	1.4
90.05551	100.0
90.86446	0.9
91.05462	1.9
93.07005	1.2
94.92577	0.9
95.04940	2.0
95.08565	1.0
96.04473	1.6
97.06509	1.7
98.02408	13.6
99.08100	9.7
100.11179	1.3
101.00828	0.8
101.09634	2.1
103.07574	1.1
104.07102	14.1
107.04940	6.0
107.08572	0.9
109.06516	23.1
109.10199	0.8
110.06030	1.6
110.07146	2.6
110.09654	2.8
112.03940	1.0
113.05955	1.6
114.05488	1.6
114.09106	1.4
116.03452	13.6
116.98611	1.1
117.09119	2.2
119.01926	1.0
121.06512	6.5
124.07552	2.7
127.07511	2.0
130.04953	4.1
130.08659	0.9
131.00130	1.0
131.30382	0.9
136.06194	5.4
136.07599	1.1
138.09132	18.8
142.08574	1.2
145.08577	1.4
147.04367	1.6
148.06160	0.9
149.01173	2.5
156.10138	3.8
166.12114	1.0
170.11746	1.8
173.08043	1.0
174.05389	0.9
176.57904	1.0
180.10100	2.4
188.12738	3.4
190.10837	7.0
198.11250	31.5
216.12289	29.3
234.07613	1.4
234.11121	2.2
234.13292	35.3
234.14969	2.1
234.18213	1.3
235.04706	1.2
235.16937	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	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03944	2.0
55.01882	0.4
55.05505	4.3
56.96557	1.3
57.07061	0.7
59.04995	0.4
67.05505	1.9
69.03425	4.8
69.07056	1.5
71.04968	0.4
71.42479	0.9
72.93788	0.5
77.03924	0.6
79.05490	59.1
80.05811	0.6
80.06269	0.5
81.03378	0.4
81.07058	3.2
83.04983	1.3
83.08611	5.5
85.06542	0.6
85.51196	0.4
90.94843	0.4
91.05476	2.9
93.07040	5.3
95.04964	6.5
95.08578	1.8
97.06532	0.9
97.13802	0.4
101.09801	0.4
105.04504	1.0
105.06382	0.5
105.07030	5.7
107.04951	57.2
107.08592	8.2
109.06515	1.2
109.10105	0.7
111.04508	0.5
111.08081	5.4
116.98637	0.4
117.07012	0.8
119.08575	5.7
120.18937	0.4
121.06494	1.8
121.10127	6.4
121.10919	0.7
122.07250	0.4
123.04420	0.3
123.08043	1.5
123.11665	0.8
125.09602	3.0
129.07013	0.9
130.79942	0.4
131.08574	5.3
133.06404	0.3
133.10136	5.5
135.08090	1.7
135.11636	0.5
137.09581	0.6
142.07797	0.8
143.08563	1.3
145.06552	0.5
145.10127	3.6
146.97321	0.5
147.08051	0.6
147.10512	0.5
147.11681	9.5
149.01181	0.7
149.08397	0.4
149.09613	8.0
149.13237	3.5
150.96909	0.8
153.09050	0.5
153.32384	0.4
155.08528	0.5
155.12094	0.4
156.09360	0.6
157.10112	3.3
158.10893	1.6
159.08044	0.6
159.11629	0.7
160.08798	1.3
163.07463	0.4
163.11147	0.5
167.97200	0.7
171.11688	0.7
172.12444	0.6
173.09651	1.1
173.13277	5.9
175.11174	8.7
177.09084	0.5
177.57219	0.4
182.10910	0.6
186.99268	0.3
187.14822	0.8
189.12625	0.5
189.59822	0.4
190.98729	0.8
191.14296	70.2
192.14668	1.0
197.13257	1.1
208.99733	0.5
214.06952	0.4
215.14369	2.2
233.11612	3.9
233.15350	100.0
234.15529	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	234.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
53.60700	0.6
53.74738	0.9
54.43216	0.7
55.01854	1.2
55.05509	7.5
55.86699	0.8
56.00599	0.7
56.01392	1.4
56.04984	0.7
56.96547	1.3
57.03419	2.3
57.07047	3.6
57.90096	0.8
58.06581	3.0
59.04993	5.0
60.04500	1.1
67.05487	3.0
69.03418	5.4
69.07040	2.2
70.02625	0.8
70.02945	9.0
70.06585	4.1
70.29323	3.1
71.08638	4.0
71.08931	0.9
72.04514	14.2
72.08144	2.1
72.93787	0.8
73.02888	2.5
74.02423	2.3
79.05482	6.1
81.06573	1.6
81.07047	26.1
83.08586	4.1
84.04499	6.8
84.08118	2.3
85.06538	5.7
86.06060	26.6
86.06854	1.0
86.09686	2.1
87.04443	3.3
90.05547	100.0
91.05453	1.9
95.04967	3.8
95.08582	1.2
96.08112	1.0
97.06499	1.8
98.02405	12.9
99.07554	0.9
99.08096	8.5
101.09675	1.4
103.07547	2.2
104.07094	29.6
107.08543	0.9
109.05780	1.7
109.06501	23.9
110.06015	1.2
110.07155	1.9
110.09651	2.5
112.03939	1.8
113.06003	1.9
114.05511	1.9
116.03439	14.0
117.09074	2.7
119.01888	1.1
121.06474	1.6
124.07586	6.2
127.07520	2.4
130.04993	8.3
131.00108	0.9
136.06125	2.4
138.09135	19.8
142.08580	2.4
145.08562	1.3
145.49564	1.0
149.01158	1.6
149.38057	0.7
156.10164	5.2
160.09669	1.7
170.05975	1.0
170.11694	2.7
174.11276	0.8
180.10165	3.5
188.12830	5.1
190.06310	1.1
190.10828	2.8
198.05441	2.3
198.11237	39.4
216.06488	2.2
216.12288	44.6
224.66113	0.8
234.07658	1.2
234.13304	41.6
235.05959	2.3
235.16841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03927	1.4
55.05504	4.4
56.96559	1.3
57.07061	2.3
59.04988	0.5
64.94995	0.5
65.03934	0.6
67.05505	3.0
69.03420	7.1
69.07046	1.5
70.56593	0.5
71.04981	1.5
71.33649	1.0
77.03916	1.0
79.05485	55.9
80.06258	1.0
81.07050	5.0
83.04984	3.1
83.08607	5.0
83.73766	0.5
85.02887	0.7
85.06535	3.1
91.05471	6.9
92.92839	0.5
93.07036	7.2
95.04967	7.0
95.08591	3.4
97.06507	1.2
99.08105	0.5
105.04522	0.9
105.06287	0.7
105.07018	11.8
107.04943	55.8
107.08578	11.3
109.06499	3.6
109.10123	1.0
111.08071	5.0
113.06002	1.5
115.05400	0.9
116.06194	0.5
117.07014	3.1
119.08562	14.0
121.06506	2.5
121.10119	6.8
123.08055	1.7
123.11700	0.7
125.09611	2.9
128.06143	0.6
129.06979	1.7
130.07785	1.3
131.08557	12.2
133.06483	1.2
133.10114	10.4
134.99640	0.5
135.08026	3.2
137.05971	0.8
137.09598	4.2
139.64972	0.5
141.06999	0.7
142.07756	1.4
143.08548	2.7
145.06462	1.0
145.10106	12.8
146.10854	0.8
147.08028	15.0
147.10516	0.8
147.11668	12.9
149.01210	0.7
149.09612	8.8
149.13232	3.1
149.98462	0.7
150.96902	0.7
153.09084	1.1
155.08568	0.9
156.09314	1.2
157.10107	5.5
158.10855	2.1
159.07997	1.6
159.11646	1.7
160.07567	0.8
160.08765	2.4
161.13232	0.6
163.07571	0.7
163.11159	3.7
163.14787	0.9
171.11708	2.7
172.12454	0.6
172.99324	0.6
173.09612	1.5
173.13252	9.1
175.11165	19.9
182.10899	2.1
187.14775	3.4
189.12743	4.4
190.98695	0.7
191.14284	62.4
192.14583	1.5
195.96124	0.5
197.13271	2.0
205.15904	0.7
208.99986	0.6
215.14325	6.1
233.15334	100.0
234.15695	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	233.1493
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05514	0.7
56.05031	18.1
56.96561	2.1
57.03436	2.6
58.06587	3.6
64.62530	0.4
68.77227	0.4
69.07045	0.4
70.06583	1.6
70.09544	1.9
70.76044	0.3
70.89782	0.4
72.08149	2.4
72.93783	1.4
74.06073	100.0
75.04476	0.9
83.06100	0.5
84.04504	3.4
84.08131	1.0
85.02888	0.6
86.09697	23.1
90.78915	0.4
90.94820	1.5
91.05457	0.5
98.21456	0.5
101.07159	1.9
113.96407	0.5
116.07035	0.4
116.98610	0.8
118.11040	0.4
120.08081	0.3
126.12797	0.6
130.92181	0.3
131.97470	1.5
132.10193	18.2
132.95828	1.3
142.12285	1.0
143.11720	0.7
146.97481	0.7
147.97301	0.4
149.96126	1.4
149.98470	0.9
150.96901	2.2
153.05661	0.4
166.98770	0.4
167.97148	1.4
169.13354	1.7
187.14403	9.5
190.98726	1.7
191.97186	0.8
198.09938	0.4
208.99792	1.0
209.98137	0.5
210.96962	0.6
215.13855	3.8
218.39481	0.4
228.97908	0.7
232.44798	0.4
233.14943	8.9
245.88496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
50.21073	0.7
53.03939	2.1
55.01867	2.3
55.05502	6.6
57.07072	5.1
58.50481	0.7
59.04984	2.4
65.03915	1.2
67.05494	11.4
67.43377	0.6
69.03420	19.5
69.07056	5.1
69.35091	7.0
70.06594	1.5
71.01324	1.8
71.04991	4.6
79.05484	36.1
80.05777	0.7
81.03410	1.2
81.07043	12.8
83.04970	3.0
83.08606	5.0
83.89072	0.7
85.02889	1.2
85.06535	5.0
91.05470	20.9
93.07030	16.3
93.34422	0.6
95.04961	28.0
95.08591	8.7
97.06518	2.5
100.73433	0.8
103.05468	2.1
104.06255	0.8
105.07022	24.7
107.04943	32.2
107.08581	22.7
109.02877	2.3
109.06506	7.5
109.10141	7.3
111.04403	1.5
111.08082	3.5
113.06008	2.8
115.05443	2.6
116.06223	1.6
117.06998	8.3
119.08567	100.0
121.06506	8.1
121.10131	18.4
123.04397	0.9
123.08065	5.5
123.11682	3.4
125.05982	1.8
125.09619	2.8
128.06223	1.1
129.06163	0.8
129.06979	4.4
130.07773	3.1
131.04849	0.7
131.08562	21.5
133.02826	1.1
133.06479	7.6
133.10124	16.2
135.08046	6.0
135.11717	2.5
137.09612	8.4
141.06985	2.4
142.07776	3.9
143.08557	4.4
144.09377	1.5
145.06479	3.3
145.10104	32.8
146.10777	0.9
147.08031	30.9
147.11684	13.2
149.05980	1.1
149.09607	14.8
149.13269	3.0
151.07620	0.8
151.11145	0.9
153.09117	1.1
155.08527	3.8
156.09332	5.1
157.10098	10.1
158.07208	1.3
158.10873	3.0
159.08073	6.2
159.11700	8.3
160.08838	2.5
161.05992	0.9
161.09630	2.7
161.13274	3.5
163.11159	5.7
163.14813	2.0
167.08534	3.6
169.10086	4.0
171.11696	6.5
172.12477	2.4
173.09615	8.4
173.13234	16.6
174.10358	1.3
175.11162	13.2
177.09067	4.2
182.10896	7.0
186.10439	1.2
187.11150	3.0
187.14809	12.1
189.12717	10.5
189.25032	0.8
190.98669	1.1
191.03394	6.6
191.10672	1.6
191.14281	40.2
192.14616	1.0
197.13254	10.0
203.08778	0.7
203.14232	1.4
205.15875	3.1
215.07094	0.8
215.10762	2.0
215.14291	20.2
233.08034	3.0
233.11592	3.2
233.15340	94.5
233.23016	9.8
234.15704	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0806
Annotation	Salfredin B11
Peak:m/z	Relative Intensity
53.03940	0.5
55.01870	1.2
55.05504	2.4
56.96561	0.4
57.03434	1.4
57.07074	0.7
65.03945	1.1
67.05502	2.5
68.99780	0.8
69.03421	1.4
69.07054	1.6
71.05013	2.2
72.12782	0.3
74.06094	0.8
75.06428	0.3
77.03904	0.4
79.05482	4.1
81.03404	0.9
81.07040	3.3
83.04971	0.4
83.08607	0.3
84.08133	0.5
85.06550	0.7
86.09724	0.3
88.07625	1.4
89.03914	2.8
89.07977	0.5
91.05473	7.0
93.07040	3.8
95.04971	3.9
95.08591	3.0
97.02901	0.3
97.06548	0.9
97.66666	0.3
99.04441	0.4
102.84602	0.3
103.05448	1.4
105.03385	1.4
105.07026	6.3
105.07681	0.6
107.04946	6.0
107.08588	2.8
109.02924	0.3
109.06516	0.7
109.10150	1.6
111.08025	0.4
115.05434	1.5
116.98625	0.3
117.03381	1.7
117.07027	2.9
119.04955	1.5
119.08572	5.6
119.61989	0.3
121.06501	1.3
121.10144	1.8
123.04420	1.5
123.08102	0.7
123.11697	0.4
128.06235	0.9
129.03304	0.4
129.06996	1.9
130.07832	0.4
131.04922	2.4
131.08563	4.4
133.02850	6.3
133.06482	0.5
133.10121	3.3
134.03580	0.5
135.04424	1.5
135.08049	1.6
135.11713	1.1
137.09621	0.6
141.06985	1.3
143.08562	1.0
144.05704	0.7
144.09314	0.8
145.02826	1.9
145.06483	1.3
145.10109	6.7
147.04405	1.0
147.08083	0.6
147.11664	4.6
149.05997	0.6
149.09601	1.1
149.13226	0.4
151.03857	2.9
151.37459	0.3
157.06482	1.0
157.10085	0.6
158.03645	0.4
158.10829	0.4
159.04390	2.3
159.08058	2.1
159.11667	4.7
161.02325	2.7
161.05969	0.8
161.09602	0.5
161.13208	1.1
163.03915	0.7
163.11171	1.3
163.14804	0.4
169.06496	0.9
169.10094	1.1
171.04352	0.4
171.08080	0.3
171.11736	0.5
172.05182	0.4
173.02364	0.5
173.06061	0.4
173.09619	3.7
173.13206	2.8
174.06740	0.5
175.07544	0.4
175.11177	0.5
175.14833	0.5
177.05452	5.6
177.09090	0.7
179.03380	5.7
185.05956	3.0
187.03979	0.5
187.07553	1.7
187.11121	3.2
187.14828	1.8
187.18871	1.1
189.09032	0.5
191.03377	100.0
191.14238	0.5
192.03687	1.9
197.05966	0.8
197.09552	0.9
200.04738	0.6
201.05443	0.6
203.07031	0.7
204.04204	2.8
205.04970	0.8
205.12318	0.6
215.07094	3.7
215.10622	2.2
215.14255	1.4
215.17821	2.0
233.08054	24.6
233.11485	2.7
233.15350	6.0
233.19095	6.1
233.21735	0.5
233.22321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1702
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03933	0.5
53.85310	0.2
55.05507	11.7
56.05023	0.6
56.91880	0.2
56.96554	0.5
57.05811	0.8
59.91467	0.2
60.32168	0.2
66.90357	0.2
69.03419	1.0
69.07043	0.3
70.06580	0.5
70.30634	0.5
70.31024	0.7
72.08148	100.0
73.08489	0.5
81.03426	0.5
82.74113	0.2
84.04491	0.3
84.08129	0.4
85.02900	0.4
85.24905	0.2
86.09695	5.2
97.02861	0.4
98.21550	0.2
98.97539	0.3
106.11848	0.2
111.10867	0.2
127.03970	0.3
129.10176	0.3
131.97450	0.4
132.10196	3.7
141.84724	0.2
143.00179	0.3
161.01228	0.5
185.16536	0.9
207.00491	0.2
231.14919	0.4
231.17020	2.3
241.19351	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	233.0807
Annotation	Salfredin B11
Peak:m/z	Relative Intensity
51.02392	0.3
53.03953	0.8
54.87851	0.3
55.01884	0.7
55.05509	2.3
56.96575	0.4
57.03440	0.8
57.07074	0.4
58.32333	0.2
65.03242	0.2
65.03930	1.2
66.18126	0.2
67.05502	2.4
68.99792	0.8
69.03436	1.1
69.07070	1.5
69.28716	2.7
70.06580	0.5
71.04990	1.3
72.93781	0.4
77.03954	1.0
79.05483	4.2
79.05893	0.4
81.03429	0.8
81.07051	3.3
83.04979	0.6
83.08608	0.5
85.02915	0.3
85.06541	0.5
86.09704	0.6
89.03910	2.8
91.05475	7.4
93.07034	4.8
95.04964	3.3
95.08607	2.5
97.06532	0.9
98.97617	0.4
99.04427	0.5
101.91740	0.2
103.05468	1.4
103.71761	0.3
105.03391	1.6
105.07023	5.3
107.04945	6.6
107.08594	2.9
109.02877	0.7
109.06537	0.9
109.10162	1.1
111.04416	0.3
111.08073	0.6
111.89922	0.2
115.05429	1.0
116.06275	0.3
117.03355	1.7
117.07005	1.5
119.04921	1.2
119.08565	4.3
120.08086	0.4
121.06525	1.5
121.10143	1.7
123.04424	1.1
123.08070	0.7
123.11683	0.5
125.09604	0.4
128.06209	1.0
129.03352	0.3
129.06998	1.3
131.04916	2.3
131.08575	3.5
131.97473	0.4
133.02835	6.7
133.06502	0.4
133.10126	2.6
134.03590	0.4
134.10947	0.4
135.04449	1.6
135.08011	0.9
135.11687	0.9
137.05991	1.1
137.09599	0.6
141.07011	2.0
143.08551	0.9
144.05698	0.9
144.09367	0.3
145.02808	2.0
145.06477	1.1
145.10107	4.1
147.04382	1.4
147.08031	0.7
147.11678	2.7
149.06000	0.5
149.09593	0.7
149.13333	0.3
149.96092	0.5
150.96880	0.6
151.03885	3.2
157.06447	1.3
157.10098	0.7
158.03619	0.3
158.07237	0.3
159.04401	2.6
159.08028	1.7
159.11687	3.0
161.02313	2.8
161.05986	0.5
161.09546	0.7
161.13231	0.3
163.03920	1.0
163.07564	0.4
163.11168	0.9
167.97211	0.4
169.06479	1.1
171.04475	0.3
172.05182	0.4
173.02301	0.4
173.05911	0.3
173.09618	2.2
173.13255	1.9
175.11150	0.4
175.14784	0.4
177.05461	5.6
177.09084	0.6
179.03375	7.1
185.05968	2.8
187.03944	0.8
187.07523	2.1
187.11153	1.9
187.14838	1.5
189.09123	0.6
191.03377	100.0
192.03719	1.6
197.05963	1.1
200.04649	1.0
203.06998	0.5
204.04175	2.9
205.04930	1.1
205.08438	0.3
205.12202	0.5
208.99838	0.3
215.07033	4.5
215.10629	1.1
215.14319	1.8
215.17882	1.5
233.08055	24.1
233.11441	2.0
233.15344	5.9
233.18921	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	229.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.05504	0.9
56.96568	4.8
57.03418	1.4
58.06596	7.9
59.07375	1.1
60.08160	8.1
61.02930	3.1
68.05014	1.0
69.03432	3.1
69.54691	1.4
69.55098	4.4
70.06589	44.0
71.04982	0.7
72.08156	4.2
73.02908	2.0
73.79072	0.6
81.03391	0.9
82.47622	0.6
84.04506	3.1
84.08126	2.5
85.02885	4.3
86.09695	1.0
96.08122	1.5
97.02890	4.2
98.01311	1.1
98.97571	3.6
99.04456	0.7
100.07649	0.9
101.00848	1.9
113.03942	0.6
114.05503	3.2
114.06675	0.7
114.09147	2.7
116.07066	0.9
116.98598	2.3
118.08644	1.2
119.01909	9.9
121.01588	0.9
124.07594	4.3
126.09115	0.8
127.03953	0.7
128.02322	2.4
128.98610	1.1
131.00162	1.5
131.01843	1.3
133.01793	0.6
133.03468	2.9
134.05994	0.6
134.99631	0.9
137.02898	3.4
142.08629	34.4
146.99654	2.0
147.05055	1.2
148.03783	1.3
148.04778	0.9
148.06532	2.1
149.01245	2.0
156.05412	0.9
156.53529	0.7
159.05022	1.0
161.02945	0.9
161.05513	2.2
165.00751	1.0
168.99918	0.7
169.02612	0.7
170.06119	1.1
170.08159	1.6
170.56020	0.7
175.04495	0.9
177.02344	1.1
177.05994	1.6
183.02296	0.9
183.11276	1.0
183.14926	2.7
187.01001	1.4
192.02704	0.9
193.03751	0.8
201.00685	0.9
215.00319	1.9
219.07124	1.0
228.55821	0.8
229.03117	3.6
229.15462	100.0
230.15768	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	229.1546
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
52.46833	0.2
55.01871	0.6
55.05522	0.3
56.05016	0.3
56.96560	8.1
57.03428	0.5
58.06300	0.3
58.06594	6.3
58.24969	0.2
59.07122	0.3
59.07375	1.4
60.04520	0.2
60.08158	8.1
61.02923	0.8
68.05011	1.3
69.03428	0.4
70.06586	42.4
71.04150	0.3
71.04461	0.2
71.06922	0.3
71.95303	0.2
72.08144	2.3
72.96053	0.4
73.02912	0.7
74.97624	0.3
81.03424	0.2
83.06116	0.2
83.97647	0.2
84.04492	1.9
84.04966	0.2
84.08141	1.5
84.96024	0.2
85.02906	0.8
86.06044	0.2
86.09689	1.5
96.08116	2.1
97.02892	0.5
98.06055	0.6
98.97574	8.3
100.07571	0.3
101.00908	0.4
106.01022	0.2
110.01279	0.3
110.07157	0.3
110.97576	0.2
114.05522	4.4
114.09156	2.2
116.07094	1.4
116.98609	8.2
118.08636	0.3
119.01892	3.8
124.07580	3.9
126.02310	0.2
126.09135	0.9
127.03996	0.2
128.02338	0.3
128.98578	0.5
129.10211	0.5
131.00232	0.3
132.10167	0.2
133.01639	0.2
134.01311	0.3
134.99651	6.6
137.02892	1.2
140.00124	0.2
140.03816	0.3
142.08617	33.3
143.08945	0.4
144.03329	0.5
144.99826	0.2
146.99596	0.4
147.01326	0.2
147.03200	0.2
148.03862	0.7
152.07071	0.4
153.00697	1.1
155.11769	0.3
157.04382	0.6
158.04846	1.1
160.06387	0.8
168.99818	0.2
170.05103	0.9
170.08115	1.7
176.05925	0.2
177.00734	0.3
177.02312	0.2
178.07512	0.5
183.02280	0.2
183.11308	0.6
183.14957	0.7
187.00856	0.7
188.05925	0.7
189.00758	0.3
189.04341	1.3
193.03648	0.3
206.06949	1.4
207.01602	0.2
207.05426	1.2
211.10867	0.3
215.00371	0.5
224.08035	2.3
229.15450	100.0
230.06961	1.0
230.15782	1.8
231.05545	0.3
237.02826	0.3
248.08020	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	229.1433
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.69989	0.9
53.03947	0.8
55.05510	9.4
57.03437	20.3
57.07074	1.2
59.05009	4.7
65.03952	2.3
67.05502	100.0
68.05831	1.1
69.07059	2.7
70.67442	1.7
70.67772	1.5
71.04989	3.1
79.05495	2.0
81.07045	15.7
83.08621	7.4
85.06533	3.1
88.06339	1.0
91.05478	6.4
93.07043	3.4
95.08588	6.8
107.08594	2.2
109.10154	88.7
110.10480	1.5
110.78941	1.0
111.08101	3.7
115.19297	0.9
119.08569	5.9
121.39059	0.9
125.36752	0.9
137.09630	4.2
155.10683	4.4
172.99992	0.9
173.11736	22.4
173.13170	1.7
229.12097	2.3
229.14270	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	229.1433
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05509	8.1
57.03431	19.9
57.07066	0.9
59.04992	4.8
65.03925	1.9
67.05500	100.0
68.05838	1.3
68.32191	0.8
69.07059	2.2
69.39907	8.0
71.04989	3.9
77.97716	0.7
78.15696	0.7
79.05496	1.7
81.07052	10.9
83.08616	7.1
85.06527	3.6
91.05466	6.3
93.07035	3.3
95.07796	0.8
95.08070	0.7
95.08587	5.7
98.20757	1.8
99.08015	0.7
107.08612	2.1
109.10148	94.5
111.08051	2.7
119.08544	6.8
125.09654	1.0
137.09566	4.6
137.83952	0.9
155.10680	4.4
173.11728	28.2
173.13156	1.7
206.39101	0.8
229.14322	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01863	2.0
55.05510	10.2
56.02650	0.9
56.96553	2.2
57.03426	1.0
57.07067	2.9
58.99823	0.9
65.03957	1.0
65.63187	0.9
67.05501	24.3
67.05863	1.2
69.07066	9.2
69.29606	8.5
69.30016	1.5
71.04990	100.0
72.05307	1.0
72.93769	1.5
76.37339	0.9
79.05501	12.0
81.07055	30.5
83.04981	2.6
83.08603	5.0
85.06541	3.2
86.99822	0.8
91.05479	6.9
93.07038	16.3
95.04965	2.6
95.08601	17.4
97.06511	4.2
97.10169	3.5
98.20639	1.0
99.04446	1.0
99.08076	1.8
100.11253	4.1
105.07027	5.5
107.08591	8.8
109.10162	3.7
111.08057	1.9
113.86662	0.9
113.96416	1.7
115.05453	0.9
117.06999	5.7
119.08591	1.8
121.06525	1.1
121.10140	2.5
123.08045	1.1
124.39105	0.8
125.09648	3.4
128.06247	1.5
129.07028	1.7
131.08582	5.0
131.97467	2.0
133.10143	5.2
134.09613	1.3
135.08034	2.0
135.11693	11.0
137.09610	1.2
142.07687	0.9
143.08565	3.9
144.08086	3.7
145.10118	1.9
149.13266	5.6
157.10110	2.8
159.11667	7.1
163.11069	1.1
169.10083	1.0
171.11763	2.7
177.12790	3.2
185.13263	3.3
189.11215	1.4
189.19659	0.9
195.13748	1.2
209.15356	2.5
212.11989	1.3
227.12636	4.4
227.17932	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03938	2.6
55.01868	15.1
55.05508	15.2
56.96543	4.7
57.03437	7.5
57.07072	9.5
59.05004	6.9
67.05502	17.0
69.03418	7.3
69.07059	25.3
70.06571	1.9
70.94772	4.4
71.04984	33.1
71.08611	1.4
72.08137	1.6
73.06527	2.0
79.05488	12.9
81.03407	2.4
81.07053	26.1
83.04980	8.1
83.08614	8.8
85.02915	2.1
85.06535	19.3
86.09673	4.8
91.05476	18.5
93.07037	32.7
95.04960	100.0
95.08595	33.7
97.06519	29.6
97.10154	8.0
98.09618	1.6
98.97554	2.0
99.04441	23.8
99.07478	2.6
99.08085	37.8
100.11220	6.4
105.07030	20.4
107.04916	2.9
107.08584	46.2
109.06503	27.5
109.10154	13.0
111.08088	9.7
111.11664	2.1
113.05986	3.1
113.09610	4.7
115.07559	8.8
116.98551	2.1
117.06992	3.7
119.01945	6.8
119.08569	13.7
121.06449	5.2
121.09309	2.5
121.10133	38.7
123.04468	1.5
123.08065	10.7
123.11694	10.6
124.65030	1.4
125.05994	2.2
125.09608	19.3
125.55432	1.3
127.07533	19.5
129.06921	2.4
131.08566	11.1
133.10123	39.4
135.08026	10.7
135.11667	12.2
137.09589	7.3
139.07503	2.1
139.11197	12.4
143.01875	6.8
143.08536	3.4
143.10648	10.0
144.08047	3.4
145.10132	10.4
147.11661	11.9
149.09596	7.3
149.13239	12.0
151.07484	6.2
151.11215	8.3
153.09081	27.6
158.10930	3.0
161.02953	13.8
162.03114	3.0
163.02693	1.9
163.11188	7.4
163.13460	1.6
163.14708	7.7
165.12839	1.8
167.07011	7.9
167.10649	4.8
167.14375	1.4
169.08591	40.4
171.10165	21.6
173.09564	2.2
173.13246	27.6
174.13565	2.1
177.05499	2.6
181.12195	2.7
183.13834	2.2
191.10616	5.0
191.14285	17.4
203.97289	1.6
206.72078	1.4
209.11771	2.8
209.15294	15.9
227.10342	2.5
227.14676	3.9
227.16367	63.2
228.16515	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03928	6.4
53.11222	2.1
55.01871	13.0
55.05505	32.4
56.96562	13.1
57.03435	12.3
57.07072	11.5
57.42949	1.9
59.05005	4.2
65.03941	3.3
67.05169	3.1
67.05502	41.6
69.03422	34.8
69.07061	54.2
71.04992	38.9
71.05897	5.9
72.89230	2.2
75.61384	2.1
76.26756	2.1
79.05485	58.4
81.03424	11.0
81.07054	83.0
83.04977	18.9
83.08609	18.6
84.08144	4.2
84.63706	2.2
85.06546	20.1
86.06076	5.0
86.09703	19.4
91.05476	32.0
93.07041	55.2
95.04961	39.4
95.08604	59.1
97.06523	22.5
97.10168	23.4
98.97611	2.5
99.04453	6.8
99.08083	10.6
100.11248	9.8
103.05463	2.2
105.07033	34.3
107.04951	22.6
107.08587	100.0
109.02868	2.8
109.06519	25.5
109.10151	44.6
111.04459	3.2
111.08067	21.6
113.06017	3.6
115.07570	8.5
116.98630	4.5
117.06994	6.1
119.08575	19.4
121.06518	16.5
121.10133	42.4
123.04416	4.6
123.08031	15.3
123.11711	11.5
125.09630	35.4
127.07513	3.0
128.96544	2.0
129.06992	2.9
129.09126	4.3
129.44612	2.2
131.00146	5.5
131.04929	2.9
131.08565	16.8
133.10114	20.2
133.59024	2.3
134.99648	2.2
135.08051	24.5
135.11716	11.3
137.09586	13.0
137.13210	2.5
139.07558	6.8
139.11159	2.8
143.08582	3.6
143.10614	3.9
144.08122	4.8
145.10071	12.4
147.11700	16.1
149.01233	8.5
149.05980	5.0
149.09599	18.5
149.13232	22.3
151.03790	2.5
151.07558	3.3
151.11171	29.4
153.09105	15.9
154.06172	3.4
159.36276	2.2
161.13245	6.9
163.11169	7.7
163.14807	22.4
165.05505	4.5
165.12733	12.2
167.07057	19.8
167.10747	4.7
169.08597	27.8
171.10147	3.0
172.95248	3.2
173.13275	33.1
176.14360	2.9
177.00697	4.2
177.05516	4.5
179.14383	4.0
187.55663	2.3
190.96391	3.7
191.10503	3.2
191.14307	26.5
196.56088	26.9
197.06305	4.3
202.15906	13.7
205.56595	5.1
208.06813	2.7
209.08075	6.8
209.11745	4.3
209.15305	17.6
215.56793	2.7
220.16960	4.8
227.12547	3.3
227.14359	4.5
227.16165	17.4
228.15854	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.00303	0.9
53.03938	1.3
55.01863	1.1
55.05506	7.4
55.93499	0.5
56.02644	1.7
56.96564	1.6
57.03423	1.0
57.07066	1.3
65.03954	1.1
67.05499	26.4
69.03429	0.8
69.07068	6.4
69.82623	2.9
70.06580	0.7
71.04989	100.0
72.93791	0.9
77.15122	0.5
79.05488	10.7
81.07053	32.3
83.04991	1.9
83.08617	4.8
84.88134	0.5
85.06535	3.5
85.24069	0.5
91.05477	6.5
93.07037	15.5
95.04985	2.1
95.08600	18.6
97.06520	5.1
97.10159	3.7
98.97588	0.6
99.04446	0.6
99.08069	1.2
100.11299	1.1
105.07024	4.4
107.04968	0.7
107.08585	7.2
108.29778	0.5
109.06532	1.5
109.10155	5.1
111.08093	2.6
113.06026	0.6
113.96432	0.9
117.07009	4.3
119.08587	1.4
120.90201	0.5
121.06523	0.9
121.10147	2.2
123.08071	0.5
125.09592	2.4
127.07568	0.6
128.06224	0.6
129.06989	0.9
131.08560	3.4
131.97449	1.0
133.10124	4.8
134.99666	0.7
135.08096	1.6
135.11687	10.6
135.12691	0.7
143.08519	0.9
144.08130	1.8
145.10304	0.5
149.13246	5.6
151.11304	0.6
157.10214	1.0
159.11691	6.5
171.11723	1.2
175.14894	1.5
177.12764	3.0
179.08601	0.5
189.11266	1.2
195.13885	1.7
209.13533	0.7
209.15424	1.7
212.12202	0.5
227.12520	1.6
227.14493	1.4
227.17966	2.1
245.04662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57543	3.0
54.23254	3.4
55.01854	3.7
55.05508	32.3
56.96541	3.7
57.03428	9.7
57.07051	9.1
62.13135	3.2
67.05170	5.0
67.05499	69.8
69.03394	4.6
69.07068	28.0
69.46481	18.9
69.46908	13.5
69.58865	3.5
70.85303	3.1
71.04976	9.4
79.05474	48.7
81.06578	5.7
81.07053	100.0
82.07354	3.5
83.04970	11.6
83.08614	24.1
85.02924	3.5
85.06496	8.2
91.05461	26.1
93.07035	71.4
95.04956	11.0
95.08589	30.3
97.06525	11.2
97.10165	18.3
100.11243	6.9
103.72787	3.7
105.07011	10.5
107.08590	33.2
109.06508	5.9
109.10130	7.1
111.08060	11.1
117.06994	14.4
119.08544	7.5
121.10150	16.8
125.09639	12.8
128.06227	4.0
129.07025	5.0
131.08545	14.9
133.10107	12.6
135.08031	4.3
135.11722	19.0
139.11179	4.7
143.08513	5.7
144.08025	5.3
149.13252	46.8
156.09351	3.9
157.10091	6.7
159.11720	20.8
171.11621	6.3
177.12758	7.1
185.13383	4.0
189.11122	7.9
195.13791	4.5
227.10181	13.8
227.12700	21.3
227.14667	5.2
227.17824	14.3
227.19942	6.1
228.12520	4.0
228.23251	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01870	4.7
55.05510	34.3
57.03428	9.4
57.07067	9.1
58.19188	3.0
67.05497	70.4
69.07062	28.0
70.35184	11.3
71.04972	10.3
76.95952	3.6
79.05492	39.5
81.07049	100.0
83.04973	6.2
83.08627	18.3
91.05462	22.5
92.05825	3.8
93.07033	57.4
95.04951	9.4
95.08592	29.0
97.06522	12.6
97.10150	12.2
99.08093	6.0
100.11234	6.8
105.07004	10.2
107.08573	29.9
109.06482	5.2
109.10104	6.2
111.08044	5.5
117.07033	16.5
119.08588	4.4
121.06511	4.8
121.10193	17.3
125.09610	11.0
131.08543	11.8
133.10110	14.6
135.11699	16.3
144.07980	4.0
145.43530	3.2
149.13245	40.0
157.10066	5.3
159.11658	25.1
169.10010	3.9
171.11678	4.7
177.12744	5.6
185.13199	3.2
189.11201	10.2
195.13783	7.5
227.06804	4.9
227.12643	14.8
227.14670	4.1
227.17873	12.4
227.19997	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	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39217	3.2
53.03940	4.1
55.01861	6.3
55.05510	37.0
56.96556	8.3
57.03434	10.7
57.07070	12.9
62.16634	4.0
65.19833	3.3
67.05157	6.5
67.05499	67.6
69.07068	38.7
69.62721	13.4
69.63167	15.2
71.04984	8.9
79.05482	46.0
81.07053	100.0
81.85345	3.3
82.44130	3.7
83.04979	8.5
83.08621	16.7
85.06546	5.3
91.05486	19.4
92.41329	4.4
93.07040	51.6
93.44167	4.1
95.04964	7.6
95.08600	23.0
97.06509	11.5
97.10175	15.3
99.08076	5.7
100.11275	8.9
105.07029	11.7
107.08577	40.4
109.06527	6.5
109.10179	9.4
111.08066	11.6
117.07020	15.5
119.08588	5.9
120.05556	3.9
121.10145	21.0
125.09614	18.5
129.06982	9.0
131.08591	13.0
133.10124	10.0
135.08067	6.9
135.11696	15.9
143.08612	6.0
144.08092	13.5
145.10078	5.0
148.37506	4.1
149.13252	37.8
157.10091	5.7
159.11678	20.7
171.11734	4.7
177.12758	9.0
189.11290	5.7
195.13795	8.8
227.10231	8.6
227.12660	18.5
227.14606	8.5
227.17900	9.8
227.20012	9.4
248.86678	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	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30279	1.2
53.03942	1.6
55.01858	5.8
55.05499	5.6
55.99083	1.2
56.96560	1.9
57.03430	2.9
57.07065	6.6
58.73825	1.1
65.03934	3.3
67.05158	2.3
67.05501	28.0
68.25637	1.4
69.03423	3.6
69.07063	10.1
69.89117	6.3
70.06587	2.9
71.04988	19.0
73.02907	3.4
79.05485	29.4
81.03414	2.2
81.07059	6.6
83.04972	10.6
83.08612	1.3
85.06537	100.0
86.09706	22.5
87.94380	1.0
91.04948	2.1
91.05474	19.3
91.06017	2.0
93.07039	24.6
95.04960	9.6
95.08607	2.0
97.06529	5.9
98.21458	2.4
99.04433	1.7
99.08081	4.4
100.11254	4.4
103.05447	1.7
104.12749	1.2
105.07030	21.9
105.10050	1.2
107.04948	13.8
107.08583	28.9
109.06509	5.7
109.10178	1.4
111.04432	14.3
113.05973	1.3
114.44318	1.4
117.07007	6.9
119.08576	18.4
120.87720	1.1
121.06497	16.3
121.10136	21.1
123.04404	2.9
123.08049	2.2
125.05995	9.4
128.06184	1.4
129.06967	5.4
130.07773	1.8
131.08562	67.5
132.08914	1.6
133.10193	1.4
135.04428	2.6
135.08003	1.6
135.11674	7.1
137.05951	3.3
137.09593	8.2
139.07535	1.5
140.04649	6.4
145.06474	2.2
145.10114	28.9
147.08040	6.7
147.11673	1.4
149.06026	1.5
149.09610	72.7
151.07539	1.4
153.05478	4.2
154.06203	1.1
155.07033	7.6
155.08444	2.8
163.07538	2.7
163.11172	25.6
165.09111	12.7
167.07033	3.8
167.10663	35.4
167.12068	1.9
173.09631	6.5
177.64290	1.5
179.10622	1.8
179.51576	1.3
181.04945	10.1
191.10657	58.7
197.11739	1.8
209.08394	2.1
209.11714	55.8
227.09171	1.5
227.12744	20.7
227.17696	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	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03936	1.6
55.01868	2.9
55.05504	4.8
55.73109	1.0
56.96553	1.5
57.03422	1.8
57.07077	8.0
61.52840	1.0
62.21663	1.0
65.03942	2.1
67.05499	30.3
69.03416	2.3
69.07067	7.0
69.81120	5.0
70.06574	2.9
71.01344	1.0
71.04993	17.8
73.02908	1.5
79.05051	2.1
79.05489	27.3
81.03416	2.1
81.07053	7.4
81.07443	1.1
83.04980	7.4
83.08615	1.0
85.02898	1.2
85.06539	100.0
86.09695	10.3
87.04469	1.1
91.05473	20.3
93.06470	1.7
93.07037	22.4
95.04968	6.7
95.08599	2.5
97.06533	5.2
98.21576	1.1
98.97600	1.6
99.08096	3.5
103.64967	1.0
105.07024	19.7
107.04950	13.7
107.07851	2.0
107.08588	30.3
108.35558	1.0
109.06551	5.3
109.10155	1.3
111.04431	12.9
113.05981	1.3
116.98655	1.6
117.07022	5.4
119.08581	17.7
121.06516	15.1
121.10140	21.9
123.04405	1.9
123.08068	2.5
125.05973	8.0
125.09628	1.2
129.06967	5.8
130.07785	1.3
131.08557	64.6
133.10143	2.4
135.08063	2.5
135.11707	6.6
137.05995	1.8
137.09642	6.4
139.07559	1.8
141.05464	1.8
145.06487	2.2
145.10117	26.6
147.08037	6.0
149.06027	2.4
149.09610	67.9
153.05486	3.0
155.07059	3.8
155.08546	1.8
163.07524	3.4
163.11177	24.6
165.09099	11.3
167.07037	4.3
167.10672	31.6
173.09612	7.2
173.13248	1.1
179.10686	2.3
181.04984	2.3
191.10666	54.8
197.11725	1.5
209.11732	46.2
227.12752	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	227.1275
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01855	17.1
55.05508	34.8
57.03423	5.5
57.07057	3.9
67.05508	28.7
69.07073	19.3
70.04435	17.7
71.04987	9.9
79.05496	43.1
81.03389	4.8
81.07053	34.8
83.04956	8.4
83.08624	21.4
85.06520	4.8
85.97795	3.8
91.05476	15.0
93.07037	64.4
94.02831	4.9
95.04951	11.9
95.08596	61.6
97.02861	4.9
97.06554	7.9
97.10128	10.4
98.20768	7.5
99.04433	9.3
100.11264	7.1
105.07019	16.5
107.04933	10.7
107.08588	47.7
109.06497	6.6
109.10148	4.5
111.04433	5.3
117.07002	17.2
119.08595	13.7
120.57751	4.7
121.06497	13.1
121.10150	16.8
125.09591	7.1
133.10132	8.1
135.08011	5.2
135.11674	63.9
143.08543	4.4
145.10103	45.4
157.10100	8.7
163.11172	100.0
169.08636	5.9
171.08031	4.1
171.11708	6.9
181.12244	17.8
194.66472	3.7
227.07072	5.5
227.10497	6.3
227.12711	93.7
227.17920	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03921	1.9
54.48969	1.2
54.68085	0.9
55.01872	5.7
55.05263	1.3
55.05510	16.4
56.05008	1.0
56.96561	10.0
57.03431	3.0
57.07069	8.4
58.06590	2.6
59.04978	1.1
65.03937	1.8
67.05164	1.6
67.05500	19.4
68.05003	1.5
69.03419	4.8
69.07069	16.3
69.89137	5.8
70.06598	7.2
71.04984	6.0
72.08160	1.5
72.93773	4.3
73.02886	5.0
78.94981	1.1
79.05489	20.4
81.03410	3.1
81.07053	15.9
83.04591	1.0
83.04989	9.5
83.08604	6.0
84.04493	2.4
84.08130	3.6
85.02885	2.4
85.06509	2.8
85.07668	1.3
85.79821	1.0
86.09702	80.2
87.04473	1.4
91.05475	15.9
93.07038	13.3
95.04960	20.3
95.06013	1.4
95.08598	7.9
97.02273	1.3
97.02869	2.5
97.06527	9.5
97.10184	2.4
98.20782	1.6
98.97588	16.2
99.04442	3.4
99.08083	3.3
100.11254	44.8
103.05453	3.6
105.03378	1.0
105.07027	11.8
106.04126	1.6
107.04945	24.1
107.08580	11.2
109.02869	0.9
109.06497	7.4
109.10148	5.3
110.07146	3.6
111.04442	4.1
111.08072	3.5
112.94865	0.9
113.05972	1.9
115.05430	2.3
116.98608	15.4
117.07002	9.2
119.08585	8.8
121.06501	7.8
121.10144	16.0
123.04427	2.4
123.08058	4.6
123.11708	3.0
125.05991	4.0
125.09624	4.2
128.06190	1.7
128.98587	3.9
129.07005	8.9
130.07756	1.3
131.00766	1.2
131.04961	2.4
131.08575	17.2
131.66928	1.1
131.97452	2.2
132.04425	1.5
133.06497	2.5
133.10136	4.3
134.99655	14.9
135.04382	1.3
135.08037	4.1
135.11681	3.5
137.05952	3.4
139.07561	5.2
139.08504	1.0
140.04695	4.5
143.05452	1.4
145.06450	5.7
145.10114	24.1
146.99612	6.3
147.08043	4.3
147.11659	2.9
149.05984	2.6
149.09587	8.1
149.13179	1.9
150.96878	1.6
151.07571	1.7
151.11176	1.5
153.00723	2.8
153.05394	1.2
153.07007	3.0
153.09079	2.6
153.12724	1.4
155.07063	7.3
155.08549	37.0
158.97589	1.7
158.99672	6.0
161.01215	1.7
161.05977	2.5
162.99164	2.0
163.11165	13.4
165.00688	2.9
167.07025	14.2
169.56406	1.3
170.99672	1.4
171.06500	2.1
173.09622	54.7
175.11191	3.2
177.00682	13.0
177.05493	4.2
181.04945	10.1
181.12238	4.0
189.00629	2.3
191.10661	100.0
193.12274	1.8
199.18050	4.1
209.07953	2.5
209.11697	16.9
209.16743	6.1
215.05617	1.5
219.01869	1.1
227.08737	2.0
227.10594	1.0
227.12708	15.8
227.16078	1.0
227.17503	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	227.1275
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03936	1.4
55.01868	33.3
55.05497	4.9
55.30713	1.0
56.96536	3.3
57.03431	1.9
57.07053	3.8
65.03936	1.1
67.05501	13.5
69.03406	4.2
69.07065	24.6
70.06576	1.3
70.75156	1.9
71.04977	5.2
74.21837	1.2
79.05488	12.8
81.07049	10.9
82.07350	1.1
83.04950	2.2
83.08612	2.6
83.12856	1.2
85.06534	12.7
91.05464	7.2
93.07044	16.6
95.04970	4.0
95.08600	26.2
97.06526	13.7
98.97556	3.8
99.04469	6.3
100.11234	4.1
105.07028	11.7
107.04910	1.9
107.08591	31.5
108.01577	1.2
108.08876	1.1
109.06525	9.1
109.10140	2.5
111.08060	3.0
113.05994	4.2
116.98599	3.1
117.06991	1.7
119.08553	4.6
120.04464	2.8
121.06480	4.6
121.10114	9.7
123.08055	14.2
125.06026	1.6
130.07735	1.4
131.08539	1.7
133.06482	2.1
133.10106	1.4
135.11664	7.0
135.21548	1.2
137.09502	1.1
139.11154	2.6
143.08517	1.4
144.08116	2.0
145.10129	7.9
149.09572	3.4
151.07544	12.8
157.10002	1.4
163.11168	20.1
167.07173	2.8
167.10664	5.2
169.08595	100.0
170.08954	1.1
171.11662	1.1
173.09590	2.1
177.00723	2.1
181.05106	1.4
181.12228	9.8
182.09637	1.9
183.09244	2.6
184.09972	7.8
185.09445	1.1
185.11732	1.2
191.10635	4.4
198.11441	3.0
199.12329	2.5
201.04211	1.5
209.11774	5.6
212.09468	3.8
219.05421	1.3
227.11726	22.4
227.17909	2.3
227.20122	1.1
243.05461	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	227.1275
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.76943	2.2
53.03550	2.0
53.03937	4.8
55.01860	8.6
55.05507	23.3
57.03432	4.5
57.07078	2.9
67.05222	2.3
67.05504	29.8
69.07056	18.4
69.28715	10.4
69.29140	16.7
71.04967	6.2
71.34651	2.5
73.02897	3.1
79.05486	44.0
81.03395	4.3
81.07048	34.1
83.04957	5.1
83.08606	14.5
85.41313	2.7
90.79478	2.4
91.05496	12.3
91.05942	2.3
93.07033	58.4
95.04984	12.6
95.08601	66.4
97.02887	5.8
97.06511	6.7
97.10163	3.8
98.21494	6.2
99.04433	3.8
100.02274	2.9
105.07035	12.8
107.04958	14.8
107.08588	41.6
109.06499	3.0
109.10112	3.5
111.04429	3.0
112.83207	2.3
117.07010	15.5
117.86650	2.8
119.08544	14.5
121.06503	8.3
121.10139	18.3
125.05981	4.9
135.11676	73.0
145.10114	40.7
163.11166	97.1
181.12181	18.1
227.12743	100.0
227.14891	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	227.0815
Annotation	Harman-3-carboxylic acid
Peak:m/z	Relative Intensity
55.01868	1.3
55.05509	8.9
55.27120	1.4
56.05000	1.4
56.96557	4.5
57.03434	1.6
57.07072	9.6
58.86361	1.1
67.05492	3.6
68.05005	1.3
69.03420	2.1
69.06720	1.5
69.07064	22.3
70.06576	4.0
70.18211	5.3
71.04980	2.1
71.08632	1.7
72.08119	2.6
72.93768	3.6
73.02914	2.1
76.90112	1.1
79.05489	2.1
81.07030	4.3
83.04971	1.7
83.08610	5.7
84.08129	3.9
86.09705	9.2
90.94833	2.7
91.05457	4.5
93.07032	2.4
95.04959	4.3
95.08579	2.9
96.00622	1.6
97.02807	1.4
97.06503	2.4
97.10163	5.4
98.06052	1.3
98.97573	1.5
99.08078	2.2
100.11249	1.7
107.04938	1.5
107.08574	2.6
109.10189	1.3
111.04445	2.1
117.04906	2.4
117.05750	47.1
120.05598	1.4
120.08076	2.6
120.59170	1.2
121.10089	1.7
128.06177	2.1
129.06993	4.9
130.05566	2.6
130.06523	47.2
131.00739	1.9
131.08583	1.3
131.97433	2.5
132.95848	1.4
133.10060	1.2
134.99600	1.6
137.06012	1.3
141.05742	1.9
142.06464	2.1
143.00720	2.5
143.07309	24.7
147.04372	1.6
148.07541	2.3
149.13254	1.6
150.96869	2.1
152.07050	3.4
154.06479	11.3
155.07207	1.5
156.08098	18.8
157.07600	21.3
158.06026	8.9
159.06818	1.6
160.73163	1.4
162.96883	2.0
166.08647	2.5
167.07072	3.8
169.05191	4.5
170.06013	1.4
181.07599	10.0
182.05942	6.5
182.08353	6.2
183.09158	9.8
185.07097	100.0
187.06313	2.9
200.07065	2.5
209.07066	8.9
227.08127	32.7
227.10191	2.2
227.14236	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	226.1073
Annotation	3-hydroxy-O,5-dimethyl-L-tyrosine
Peak:m/z	Relative Intensity
51.44801	1.0
52.05762	1.2
55.01868	1.3
55.05519	1.3
56.05035	7.3
56.96562	7.4
57.03428	1.8
58.06583	4.6
60.04510	1.3
61.02923	1.7
65.03936	4.0
67.05484	1.3
68.05000	1.3
69.07063	1.7
70.06596	14.1
70.62758	1.8
71.04957	1.2
71.07375	9.5
72.08144	5.8
74.06067	4.6
79.05486	3.9
81.07053	1.7
84.04487	2.9
84.08144	8.9
91.05478	14.7
93.03406	7.7
95.04980	2.4
96.04500	1.5
96.08141	1.3
97.02901	2.3
97.06543	1.3
98.06045	3.4
98.09694	1.2
98.97578	3.6
102.05536	99.8
103.05896	2.7
107.04943	25.7
110.07117	2.9
111.03690	2.3
111.04440	48.1
116.07095	3.7
116.98627	4.1
117.01863	2.1
119.01924	2.0
119.04939	6.8
120.05563	2.1
120.08097	2.6
121.96808	1.0
123.04443	4.2
125.07122	11.5
128.98500	1.1
129.10202	1.8
132.95810	1.1
134.09648	2.5
134.99615	1.2
135.03375	2.5
135.04404	51.0
137.05957	6.5
139.03889	100.0
140.04234	2.0
146.99591	1.5
150.96906	1.2
153.06604	1.1
157.03467	2.4
158.99776	1.1
162.09122	1.6
163.03897	24.0
165.05536	1.6
165.07866	5.7
175.04536	6.3
177.00615	1.1
177.05960	1.5
180.05042	1.7
180.10184	74.5
181.04938	40.3
181.06490	2.2
186.24501	1.2
198.06137	1.7
202.33186	1.1
203.02193	1.1
203.04037	3.8
209.12874	23.9
217.61115	1.3
226.10748	72.5
226.15579	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.32654	2.4
53.03929	4.4
55.01865	4.7
55.05508	34.8
56.96550	6.2
57.03424	6.0
57.07052	6.3
65.02840	1.7
65.03927	2.0
67.05499	22.4
69.03421	26.5
69.07062	31.0
71.04991	12.0
71.07191	4.9
74.46777	1.9
79.05482	28.9
81.03438	2.1
81.07053	34.3
83.04971	28.6
83.08605	5.0
84.08120	4.5
84.63711	2.0
85.02872	2.1
85.06513	6.5
86.09698	2.9
91.05476	69.0
92.72665	1.9
93.07035	92.8
95.04411	2.9
95.04955	20.0
95.08594	39.8
97.06537	14.6
99.04431	21.8
99.08075	4.6
103.05447	2.9
105.06374	4.0
105.07020	47.0
107.04935	7.3
107.08580	100.0
109.06497	28.3
109.10143	23.0
111.04411	2.3
111.08088	13.1
116.98610	2.3
117.07010	9.2
119.04934	7.1
119.08564	64.1
121.06500	38.2
121.10136	68.0
121.63303	2.1
123.04395	4.0
123.08054	73.7
123.11653	6.1
125.05968	3.5
125.09592	3.6
127.03986	2.2
127.07453	2.4
128.06233	2.7
129.06995	3.6
131.08546	6.1
132.05754	2.7
133.06473	5.6
133.10110	19.4
135.08046	86.7
135.11671	44.9
137.09602	54.7
139.07518	3.3
139.11163	8.0
143.01897	2.3
145.06525	3.4
145.10138	11.3
147.04424	4.2
147.08029	33.7
147.11691	16.6
149.09619	19.7
151.07556	14.7
151.11156	10.8
153.12758	15.1
155.03758	2.4
156.09351	3.8
159.08043	4.4
159.11670	7.3
160.08813	2.6
161.09570	7.9
161.13246	16.4
163.11156	35.6
165.07756	4.3
165.09100	69.3
165.12743	8.8
167.07008	2.3
167.10657	12.2
171.11684	3.8
175.04401	2.0
177.05515	3.2
177.12708	7.6
179.10637	10.4
179.14273	2.4
181.12218	38.2
189.09123	2.4
189.12749	18.5
193.08583	2.7
195.13785	8.5
203.04086	2.7
207.06525	3.1
207.13748	18.8
225.09160	2.6
225.11137	3.6
225.14682	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	225.1484
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03926	1.4
55.01870	1.3
55.05508	6.8
56.96558	1.5
57.03425	2.1
57.07070	9.2
59.04991	3.8
62.30129	1.1
65.03933	1.0
65.18575	1.1
67.05495	7.8
69.03418	3.3
69.07064	12.9
69.61771	1.1
71.01347	3.2
71.04988	44.4
71.08630	1.4
73.33668	1.3
79.05488	7.3
81.03400	2.4
81.07050	18.1
83.04975	21.3
83.08638	7.7
85.02877	3.6
85.06523	3.7
91.05474	8.1
93.07020	4.3
95.04957	4.1
95.08607	17.4
97.06523	17.1
98.21476	3.5
98.97578	1.4
99.04448	100.0
99.08087	10.4
105.07004	8.5
107.04967	1.9
107.08583	44.3
109.06510	38.3
109.10151	3.9
111.04457	11.5
111.08056	2.0
111.11727	4.1
113.09657	5.6
119.08541	5.4
121.06470	4.5
121.10134	16.6
123.08054	37.1
123.11700	22.5
125.05946	2.4
125.09637	11.9
127.07518	3.6
131.08560	2.2
133.10110	2.0
135.07982	1.7
135.11722	1.5
137.06004	1.6
137.09593	3.2
137.13225	4.9
139.07472	1.4
139.11177	4.8
141.09064	1.5
141.12724	3.8
145.09969	1.4
147.08028	1.5
147.11687	8.8
149.09627	12.9
151.07549	4.9
153.03511	1.2
153.12634	1.8
161.13228	5.1
163.11191	1.7
165.12747	17.8
167.10664	28.2
169.08337	1.4
179.14305	2.6
183.10197	1.3
183.13791	43.1
189.12698	4.6
207.13773	14.6
225.12814	2.2
225.14803	22.0
225.16800	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03928	7.0
55.01854	8.0
55.05510	29.4
56.96557	15.0
57.03435	12.1
57.07078	13.6
59.04981	10.0
61.02922	55.5
65.03922	5.0
67.05169	2.9
67.05503	42.2
68.37406	2.1
69.03421	31.0
69.07066	82.2
69.99146	6.3
69.99549	7.3
71.04990	63.7
72.59962	2.4
73.06557	5.8
74.25516	2.5
78.15574	2.3
79.05051	3.9
79.05483	42.4
81.03401	10.6
81.07051	74.5
82.83630	2.3
83.04976	35.2
83.08615	15.9
84.04491	4.0
85.02909	8.1
85.06524	6.9
86.09686	3.2
87.04445	13.1
88.38564	2.0
91.05473	61.5
93.06460	4.5
93.07038	82.1
95.04971	25.2
95.08602	61.2
97.02911	2.2
97.06533	34.2
97.10207	3.0
98.20764	3.1
98.97596	3.4
98.98206	2.3
99.04443	17.6
99.08070	3.8
103.05430	4.2
105.03361	7.2
105.07026	93.8
107.04950	12.0
107.08589	62.9
108.05723	3.8
109.05776	4.5
109.06511	80.4
109.10160	30.3
111.04410	6.5
111.08075	23.5
113.05966	2.8
115.05422	2.9
115.07565	42.2
115.26321	2.2
116.98603	3.3
117.07017	11.3
119.04962	16.7
119.08581	100.0
121.06506	21.1
121.10131	62.6
121.11006	2.7
122.07253	6.5
123.04379	3.4
123.08068	48.3
123.11690	22.9
125.05965	5.6
125.09608	6.2
127.07503	3.0
128.06209	4.1
128.98590	2.3
129.06995	6.6
130.07790	5.0
131.04898	3.6
131.08560	18.7
132.09335	2.4
133.06485	12.5
133.10126	48.7
134.99657	4.7
135.08006	19.0
135.11688	20.1
137.05966	5.7
137.09604	72.9
139.07585	4.4
139.11176	7.0
141.07031	5.1
141.09084	10.1
143.08594	12.7
145.06468	6.5
145.10144	18.7
146.99687	3.6
147.04405	25.2
147.08044	28.6
147.11678	91.2
148.04715	2.9
149.09615	84.7
149.13184	3.1
150.06767	3.0
151.07532	52.2
151.08647	4.3
151.11163	85.8
153.05428	4.6
153.09155	2.5
156.09322	18.8
159.08061	11.9
159.11685	15.4
160.08865	3.4
161.09625	20.2
161.13249	46.5
162.06720	4.4
163.11177	24.0
165.09081	15.1
165.12733	26.5
167.07077	13.3
167.10646	4.7
168.07777	4.9
171.11694	23.4
173.09448	2.6
174.10359	30.5
175.03960	3.0
177.05374	5.2
177.12759	12.0
179.06947	2.5
179.10593	3.7
179.14322	5.9
180.04332	3.3
189.12744	63.5
190.98645	4.1
193.08612	7.7
206.05952	2.8
207.08273	2.9
207.10155	4.4
207.13799	43.3
210.08875	3.8
213.04274	3.1
225.09129	4.2
225.11301	12.0
225.14818	56.6
225.16875	4.3
239.02342	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.02390	3.1
55.01865	9.3
55.05507	39.0
56.96561	30.9
57.03430	8.6
57.07060	22.6
59.04993	4.1
65.03945	5.5
65.17187	2.8
67.05493	31.7
69.03424	26.4
69.07057	59.1
69.07410	5.7
70.06599	6.1
70.07832	4.2
70.18252	15.4
71.04985	12.3
79.05492	37.7
81.03401	7.4
81.07052	41.6
82.93338	2.9
83.04986	18.9
83.08607	8.4
84.08134	7.6
84.86938	2.9
85.02897	7.5
85.06550	7.3
89.03888	11.0
91.05476	62.5
93.07031	84.0
95.04951	31.6
95.08596	42.5
97.02907	7.7
97.06526	19.3
98.97574	11.5
99.00058	3.0
99.04441	12.5
99.08106	5.2
103.05448	6.0
105.03368	7.5
105.07027	51.7
106.06123	3.0
107.04965	7.0
107.08585	100.0
108.05679	4.2
109.06512	28.2
109.10156	23.3
111.04475	8.4
111.08080	7.0
113.06007	4.8
116.98627	10.7
117.03386	21.7
117.07012	10.3
119.04936	7.5
119.08575	65.9
121.06517	26.8
121.10130	72.7
123.08058	66.2
123.11733	7.4
125.05988	12.3
125.09633	5.0
126.99466	7.2
129.01001	6.9
129.06975	5.5
131.08569	11.9
133.06552	5.6
133.10120	19.3
134.99623	5.3
135.04417	4.3
135.08040	74.9
135.08981	6.2
135.11674	53.5
137.06041	5.3
137.09592	44.3
139.07518	3.8
139.11203	4.2
141.01003	8.8
143.00133	16.5
143.08527	7.3
145.02815	32.3
145.06493	5.2
145.10075	18.7
146.52768	3.5
146.99709	4.3
147.04373	10.4
147.08026	24.2
147.11688	24.1
149.05983	6.6
149.09583	27.1
149.13286	5.9
150.06670	4.6
151.07535	39.4
151.11180	11.3
153.05502	4.9
156.09315	4.3
158.99628	4.6
159.11700	4.8
161.01227	25.6
161.05896	3.3
161.09621	12.1
161.13228	20.8
162.05460	8.0
162.06754	6.6
163.11140	32.1
164.11459	3.8
165.09106	72.9
165.11307	3.7
165.12772	7.8
167.07033	13.3
167.10674	13.6
168.07857	7.9
171.05974	7.2
171.11650	8.5
177.00653	6.1
177.05450	45.8
177.06863	4.3
177.12721	17.6
178.05855	5.7
179.02272	3.3
179.10666	14.2
179.14320	5.7
181.12193	36.1
183.13770	4.2
185.01198	8.4
189.12721	19.2
193.08643	11.9
197.07199	5.5
203.02263	7.5
203.07555	10.4
207.06418	8.0
207.10063	5.0
207.13725	24.6
225.09169	6.4
225.11195	16.4
225.14810	27.2
249.02841	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	225.1484
Annotation	Methyl epijasmonate
Peak:m/z	Relative Intensity
50.37239	0.9
53.03939	3.9
55.01857	3.7
55.05507	27.4
56.96562	2.1
57.03425	4.5
57.07080	5.1
57.07307	1.1
59.20173	1.0
65.03945	1.3
67.05500	22.0
69.03419	5.7
69.07065	18.1
70.07837	1.2
71.04977	4.6
71.34012	2.1
73.06548	1.5
79.05488	23.8
81.03413	100.0
81.07050	25.8
83.04976	28.1
83.08615	31.2
84.59467	1.1
85.02932	1.0
85.06535	4.3
91.05476	24.7
93.07037	11.8
95.04963	32.7
95.05555	2.4
95.08597	10.9
97.02879	3.3
97.03484	1.0
97.06515	3.5
97.10178	6.0
99.04447	2.8
99.08098	1.4
104.55495	1.0
105.07024	17.6
105.59271	1.0
107.04951	8.3
107.08610	9.4
109.06511	6.6
109.10198	1.5
111.04430	2.3
111.08070	11.7
113.05907	1.0
115.05468	1.2
117.07040	1.5
117.87199	1.0
119.08572	16.6
120.08896	1.1
120.93237	1.0
121.06507	1.7
121.10132	6.6
123.08057	4.2
123.11731	2.2
125.05948	1.4
125.09635	1.6
126.99386	1.6
129.01051	1.8
129.07014	9.7
131.08566	10.2
133.06500	2.9
133.10159	7.6
137.09578	1.4
141.00978	2.3
142.07765	2.7
147.08061	4.0
147.11670	11.4
149.09584	6.6
151.07562	1.5
157.09079	1.3
157.10152	11.3
161.13237	1.1
163.11237	1.4
165.12775	3.3
171.77849	1.1
174.91003	1.0
175.11189	15.3
193.12236	41.8
207.13911	1.3
225.12781	2.4
225.14821	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.89582	1.2
53.03939	3.8
55.01851	5.2
55.05505	16.4
56.96550	4.8
57.03421	4.8
57.07069	10.1
58.36065	1.4
59.04984	3.7
61.02920	40.5
65.03929	4.9
67.05502	19.4
69.03423	21.1
69.06727	2.0
69.07063	30.1
69.45574	11.5
71.04995	16.0
72.93787	1.3
79.05055	1.7
79.05489	25.0
81.03419	7.3
81.07049	30.0
81.07793	1.2
83.04973	15.1
83.08601	4.8
84.04502	1.9
84.08128	1.7
85.02901	5.6
85.06523	4.1
86.09704	1.4
87.04449	2.6
91.04959	2.2
91.05474	31.9
93.07035	49.7
95.04949	17.6
95.08044	2.4
95.08598	29.7
97.02858	1.5
97.06526	13.9
99.04433	7.0
101.05980	2.2
103.05444	4.7
105.03342	2.7
105.07018	52.5
107.04942	14.8
107.08587	54.2
108.05698	5.1
109.06504	33.7
109.10155	13.0
111.04409	3.5
111.08080	7.6
114.45353	1.5
115.05477	3.4
115.07575	10.4
116.98563	1.8
117.07015	7.3
119.04912	2.7
119.08566	47.2
120.05659	1.7
121.06499	26.3
121.10133	43.7
121.11005	2.4
123.04414	3.9
123.08064	39.7
123.11666	12.6
124.05154	2.2
125.05974	11.3
125.09570	2.3
126.99400	1.5
127.07522	1.8
128.06194	2.6
129.00992	2.9
129.06998	3.3
130.07675	2.3
131.08566	6.3
133.06512	9.6
133.10121	16.8
135.04379	3.6
135.07085	2.5
135.08034	26.5
135.11682	24.4
136.05182	4.5
137.05940	5.1
137.09612	35.6
137.13191	3.1
138.06737	2.2
139.07520	6.9
139.11148	1.6
141.01027	3.1
141.07002	1.4
141.09131	2.4
143.08524	3.3
145.10121	13.4
147.04359	5.1
147.08037	14.1
147.11670	32.5
149.05966	2.6
149.08527	2.3
149.09598	25.7
149.13231	3.1
150.06754	13.4
151.03966	2.7
151.07526	100.0
151.11171	19.7
152.08234	4.0
153.05450	12.5
153.09027	2.7
156.09300	5.9
159.07990	2.2
159.11630	5.1
160.08842	1.6
161.05969	3.4
161.09598	7.6
161.13245	18.7
162.05466	2.4
162.06725	17.5
163.07500	3.8
163.11168	25.7
164.08258	1.9
165.05467	1.8
165.09102	55.6
165.12730	36.5
166.06219	1.5
167.05606	2.7
167.07028	46.1
167.10666	8.1
168.07822	19.7
171.11682	7.2
174.10371	9.1
175.07480	1.6
176.08270	5.0
177.05496	6.9
177.12743	11.3
178.06224	2.6
179.06960	1.7
179.10641	3.7
179.14233	3.4
180.07800	2.1
181.08600	4.9
181.12201	24.1
182.09367	2.0
183.10103	3.9
189.12732	18.2
192.07814	8.6
193.08601	35.9
194.09291	4.4
195.10236	7.2
198.71683	1.4
207.06633	1.8
207.10104	6.3
207.13773	25.9
210.08842	13.7
225.09163	3.9
225.11151	46.0
225.14798	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35658	0.6
51.94718	0.6
55.05506	1.4
55.29414	0.6
56.05016	1.4
56.72514	0.6
56.96560	1.4
57.07066	5.9
58.06616	0.6
67.05496	0.8
69.03437	0.7
69.07064	11.9
69.95673	3.0
70.07841	0.7
71.05018	0.7
79.05471	0.7
81.07057	1.4
83.06110	0.9
84.96040	0.7
91.05477	0.8
93.07018	0.9
95.04936	1.0
95.08582	1.1
97.06502	1.0
98.20721	0.6
98.99998	1.6
99.04447	1.8
101.00868	3.3
105.03364	1.3
107.08604	1.2
109.07672	0.6
109.10137	0.7
111.04444	0.5
113.01566	0.6
116.98666	0.9
117.70529	0.6
118.03538	1.1
119.01912	55.6
119.08589	0.7
120.02015	2.4
121.01630	1.0
125.09624	0.8
126.99448	1.8
129.01010	2.0
130.03455	0.6
134.99821	4.5
136.04591	1.5
137.02945	36.2
137.50874	0.6
138.03040	1.3
139.02646	0.8
140.98843	0.9
141.00993	2.1
141.04921	0.6
142.03461	6.1
147.11629	0.7
153.00948	4.4
155.02602	1.4
158.99825	3.1
159.06154	1.2
160.04526	4.2
161.02925	1.6
175.05695	0.7
177.00938	100.0
178.01031	12.6
178.03702	1.4
179.00734	1.9
179.03955	2.9
181.03497	0.8
182.99892	1.7
183.06233	1.2
184.04478	1.2
193.04050	1.3
195.02022	2.8
196.02155	0.7
197.07349	1.0
200.02571	2.3
201.00861	3.3
201.02509	1.7
201.05609	1.0
201.07364	0.8
202.05595	2.5
217.04056	9.6
218.03697	1.8
219.01982	85.5
219.94357	0.6
220.02084	16.9
220.99892	0.5
221.01727	3.5
225.00726	3.1
225.09372	0.7
225.14824	1.8
225.22118	0.6
237.95604	1.6
242.03596	2.4
243.01955	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	225.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
53.04203	1.1
55.01861	3.3
55.05513	9.9
56.05000	1.2
56.96556	14.1
57.03427	2.4
57.07069	5.9
58.06590	2.4
63.02361	1.5
65.03934	7.3
67.05495	8.0
68.05022	1.8
69.03425	6.3
69.07064	13.1
69.56226	6.8
69.56646	2.5
70.06586	16.7
71.04978	5.6
71.08605	1.2
72.08112	2.1
73.00270	1.5
73.02899	3.8
75.77444	1.5
77.03920	3.4
78.04719	2.6
79.05492	8.6
80.04998	1.6
81.03394	5.2
81.07060	8.7
82.06577	1.7
83.04967	7.6
83.08636	1.7
84.04501	3.3
84.08134	6.8
84.96027	2.6
85.02898	5.1
85.06532	3.0
86.09703	2.1
87.04457	1.4
89.03909	17.1
91.05472	78.4
92.05796	1.7
93.07006	7.1
94.06569	1.4
95.04960	14.9
95.08607	9.3
96.08101	1.7
97.02898	2.4
97.06521	4.2
98.97584	4.0
99.04446	7.6
99.08095	1.4
103.05457	6.0
105.03390	4.6
105.07020	9.2
106.06574	1.8
107.04937	5.0
107.08606	6.5
108.04521	1.3
108.05759	1.7
108.08090	1.8
109.02882	1.9
109.06531	8.0
109.10126	2.9
109.11240	1.2
111.04411	2.3
111.08082	1.4
116.98627	3.5
117.03375	24.4
117.07037	1.6
118.04238	8.1
119.04939	75.5
119.08582	5.4
120.08096	4.6
121.02851	2.9
121.06512	6.3
121.10137	4.9
122.03587	1.3
122.06039	2.3
123.04422	5.8
123.08085	6.3
123.11652	1.3
124.99129	6.0
125.06009	3.2
125.09665	1.9
127.03948	1.6
127.50827	3.0
128.06178	1.3
129.10216	2.0
131.01880	3.7
131.08595	1.6
132.02060	4.9
133.02785	3.1
133.06509	2.0
133.10112	4.9
134.03671	3.5
134.06009	3.9
134.99652	4.0
135.04401	5.1
135.08032	2.8
135.11703	1.5
136.05132	2.0
136.07564	2.2
137.05988	3.8
137.09619	1.6
137.51920	1.3
138.05501	1.9
138.06622	1.4
139.07640	2.1
140.04662	1.9
141.01102	1.5
143.00150	25.6
143.08563	2.3
145.01804	2.4
145.02829	50.0
146.03238	3.7
146.05904	2.5
147.04399	59.5
147.08028	2.8
147.11685	3.5
149.01208	1.9
149.02255	11.1
149.05956	7.0
149.09583	3.7
151.07513	3.4
151.11209	1.4
155.07014	2.6
157.03934	4.7
161.01216	46.8
161.02556	2.3
161.09625	2.8
161.13264	3.7
162.01674	1.5
162.03256	1.2
162.05495	5.1
162.99113	1.2
163.03915	4.7
163.11156	4.2
164.04736	8.9
164.07051	22.7
165.05438	1.3
165.09082	2.6
165.12813	1.7
167.10728	2.5
169.01756	1.3
174.96826	1.4
175.03894	97.2
177.02013	3.0
177.05457	60.1
177.80370	1.3
178.05766	8.4
179.02248	8.1
179.07054	6.3
179.10593	2.1
180.04115	2.0
180.06537	5.5
183.06540	5.7
183.13737	1.5
185.01192	12.2
189.00706	3.2
189.09119	1.8
189.12767	3.4
192.04141	32.0
193.04944	5.7
195.06412	1.6
203.02255	8.1
207.06467	100.0
207.13805	6.5
208.05997	13.5
213.00652	1.3
223.06059	2.0
225.07291	3.5
225.14680	7.2
226.09727	1.6
231.01752	2.0
249.02905	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	224.128
Annotation	Maokonine
Peak:m/z	Relative Intensity
55.05509	0.8
56.05027	0.9
56.96562	1.5
57.07079	0.6
58.06596	3.1
67.05495	0.7
69.07059	0.8
70.06572	1.7
71.04957	0.5
71.07369	1.4
71.39745	1.0
72.08141	0.9
79.05476	1.4
81.07045	1.3
83.06064	0.5
84.08143	1.7
86.09700	0.8
90.94855	0.5
91.05469	5.8
93.07016	1.1
94.06517	0.6
95.04959	0.5
97.07609	0.4
103.05463	1.0
105.07030	1.4
107.04955	2.4
109.06514	1.8
109.07608	0.5
116.07062	1.3
116.98540	0.5
119.04935	22.9
119.08536	0.6
120.08081	2.0
121.02792	0.7
121.06497	5.5
121.08411	3.1
122.03668	0.8
129.10263	0.5
137.05966	100.0
138.06302	1.6
147.04402	17.0
148.07599	0.7
149.08339	13.3
151.07552	2.3
160.11244	1.3
161.01263	0.7
164.10701	83.5
165.11026	1.3
167.08998	0.9
177.05421	0.9
178.12160	0.9
179.07022	28.8
201.18387	0.5
206.08066	0.5
224.12796	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	224.1281
Annotation	Maokonine
Peak:m/z	Relative Intensity
55.05476	1.0
56.05017	3.0
56.96555	2.1
60.04506	0.8
60.08156	100.0
61.79236	0.9
69.07055	1.2
70.06570	2.7
71.04281	2.0
72.08148	6.2
74.06085	1.7
82.06574	1.0
84.04509	2.4
84.08141	6.6
86.09708	1.6
91.05456	5.6
91.50867	0.9
93.07050	1.0
95.04958	27.5
98.97623	1.1
102.05530	29.6
102.88813	0.8
103.05459	3.4
109.06516	0.9
116.98506	0.8
119.04928	36.8
121.06471	1.8
123.04414	99.6
124.04720	1.3
129.10287	1.4
130.08711	1.5
136.06181	3.8
137.05940	1.2
147.03200	1.8
147.04384	30.1
147.11308	0.9
164.07031	7.8
165.05455	68.1
166.05876	0.9
177.71407	0.8
178.08545	1.2
196.33904	0.8
198.88118	0.8
201.00810	1.0
209.06836	4.3
219.01764	1.0
224.09558	8.9
224.12839	47.1
224.88184	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	224.0915
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
52.13868	0.7
52.89066	0.7
55.05502	2.0
56.05032	1.6
56.96559	2.3
60.04512	1.6
60.05643	1.0
62.06073	2.5
67.05483	1.5
69.03419	1.5
69.07047	1.2
69.39297	7.3
70.02964	0.8
70.06583	4.7
72.04520	0.9
72.08146	3.6
74.02431	2.0
74.06078	0.9
78.36691	0.8
79.05475	1.6
80.04984	1.4
81.03417	1.2
81.07051	1.3
82.06532	0.8
83.06093	1.7
84.04491	1.8
84.08133	7.1
85.02876	1.7
86.09695	2.0
87.05888	0.7
88.03967	2.2
91.05463	4.5
95.04948	2.7
97.02883	0.9
103.05453	2.4
105.07012	11.1
106.06545	1.1
107.04934	1.9
109.06506	1.3
110.06038	5.1
110.07190	1.4
110.23545	0.8
111.04434	1.9
111.09236	1.3
112.05061	1.1
113.01559	0.7
115.05417	5.2
116.98584	1.1
117.05745	5.2
117.06960	1.2
118.06509	3.2
119.04939	1.8
119.06745	4.2
120.08106	1.8
121.06525	1.1
122.06022	1.1
123.04415	1.1
123.07994	1.0
129.10222	2.3
130.06540	2.9
132.08078	100.0
133.06537	3.8
133.07434	1.1
133.08427	2.7
134.06007	1.6
134.09598	1.4
134.99731	1.0
135.02701	1.0
136.07550	3.0
146.99626	0.9
150.09029	1.4
151.07527	1.0
152.07036	1.2
160.07558	7.5
160.09528	3.1
161.05956	4.4
161.07964	2.4
161.26376	0.8
162.05452	1.3
162.09082	0.9
164.07027	2.8
165.05475	1.2
178.08612	75.7
178.10458	5.3
179.08937	1.5
201.00668	1.3
201.04201	0.9
206.06396	1.7
206.08144	4.6
206.09949	0.9
206.11926	1.0
220.67181	0.9
224.07234	2.7
224.09177	9.9
224.11008	1.5
224.12910	1.3
224.16840	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	223.1327
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03933	2.3
55.05259	2.0
55.05507	27.3
56.96553	1.6
57.03431	2.2
57.07058	1.3
67.05505	12.8
68.99794	1.2
69.03428	20.4
69.07076	7.1
69.29369	14.0
69.29720	3.0
71.04986	7.2
72.50492	1.2
76.87544	1.3
79.05479	5.9
79.49804	1.1
79.65163	1.3
80.10644	1.1
81.07054	15.1
83.04980	11.1
85.06504	1.7
88.25584	1.1
91.05478	7.9
93.07040	25.4
94.07372	1.7
95.04950	5.0
95.08596	35.2
97.06516	2.8
99.04469	1.2
99.08044	2.1
105.03389	4.3
105.07018	16.1
107.04950	2.9
107.08588	55.3
108.05731	4.9
109.06510	17.6
109.10147	16.5
111.04435	12.6
111.08082	7.6
113.06032	1.6
113.09608	2.1
117.07005	3.7
119.08578	20.5
121.06503	9.4
121.10145	19.6
123.04415	2.9
123.08060	100.0
124.08369	2.0
125.09650	2.2
131.08551	6.1
133.10120	13.1
135.08046	24.4
135.11690	46.3
137.08640	2.2
137.09616	26.7
139.07532	2.8
141.05466	2.0
144.09349	5.7
145.10023	2.9
146.30734	1.2
147.08022	1.4
149.09596	1.6
149.13242	28.1
151.07491	2.2
153.09122	2.9
153.12781	2.2
159.11684	42.1
159.13019	2.1
161.09573	2.5
161.13220	3.4
162.10283	1.4
163.07533	2.3
163.11200	5.5
167.07043	1.3
169.08646	5.8
177.12735	66.6
178.13086	1.7
187.11084	1.3
195.13800	7.3
205.10376	1.5
205.12227	11.8
213.73763	1.4
223.13277	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	223.1327
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
52.27851	1.0
53.03928	1.5
55.01856	1.4
55.05505	28.0
55.52693	1.0
56.96550	1.0
57.03419	1.7
57.07058	1.6
65.03931	1.3
67.05169	1.3
67.05499	13.9
68.99789	1.4
69.03423	21.8
69.07063	9.3
69.70218	6.5
70.06557	1.0
71.04996	6.6
79.05487	9.1
81.03388	1.2
81.07047	13.0
83.04975	10.7
83.08611	1.4
84.08171	1.1
85.02900	1.1
85.06531	2.1
86.09688	1.2
91.05456	10.8
93.06470	2.0
93.07033	29.6
95.04958	5.5
95.08602	41.0
97.06493	2.7
98.20692	1.0
98.97555	1.4
99.08078	2.0
105.07011	14.2
106.47585	1.0
107.04967	1.9
107.08586	55.6
108.05715	3.3
109.06506	21.3
109.10149	17.9
111.04439	11.9
111.08070	9.0
113.05968	1.3
113.09641	3.0
117.06991	4.2
119.08572	16.1
120.08099	1.3
120.68740	1.1
121.06477	10.9
121.10142	22.0
123.08056	100.0
124.08399	1.2
125.09603	1.6
129.07004	2.3
130.07753	1.2
131.08566	9.1
133.10117	11.6
135.07088	1.9
135.08046	20.4
135.11679	50.9
137.05992	1.1
137.09601	26.6
139.07512	4.0
141.05502	2.2
144.09312	3.9
145.10118	3.2
147.08044	1.1
149.09605	1.9
149.13246	28.8
151.07532	2.7
151.61476	1.0
153.09074	2.5
153.12773	1.6
159.11676	45.6
160.12088	1.4
161.09584	1.1
161.13252	3.4
163.07472	1.5
163.11147	8.7
165.09119	3.7
169.08598	5.5
177.12732	75.2
178.13051	1.9
181.08650	1.5
181.12239	3.0
187.11188	3.2
195.13783	8.8
205.12239	17.4
223.13283	59.9
223.16806	2.2
224.13704	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	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
52.96664	0.3
53.03944	0.5
53.88113	0.2
55.01861	1.2
55.05505	4.7
56.96568	0.3
57.07063	0.4
59.04986	0.4
60.95840	0.3
65.03921	0.7
67.05497	5.7
68.39906	0.3
68.40234	0.3
69.03414	0.7
69.07063	4.1
69.81351	1.7
71.04980	1.2
71.08619	0.4
79.05486	5.4
81.03410	3.4
81.07052	9.7
83.04976	2.5
83.08609	2.0
85.02895	3.3
85.06513	0.4
91.05470	5.4
93.07040	5.1
95.04961	100.0
95.08598	5.6
96.05285	1.4
97.02863	0.3
97.06513	1.7
99.08067	0.5
105.07024	3.4
107.04940	1.1
107.08577	3.6
109.06515	3.5
109.10160	0.7
111.08073	0.7
117.07008	2.0
119.08559	3.9
121.06496	3.1
121.10127	2.4
123.08055	3.1
125.06014	0.3
125.09600	0.5
128.06148	0.4
129.06996	1.0
130.07762	0.4
131.08580	1.7
133.10127	1.1
135.08041	1.4
135.11678	3.3
139.07509	0.5
141.09100	0.3
143.08589	0.7
145.06476	0.5
145.10104	4.8
147.08038	3.3
149.01250	0.4
149.02324	0.6
149.09615	0.6
149.13226	0.5
154.07841	0.5
159.11665	1.7
161.09682	0.9
163.11166	12.0
165.09117	0.4
169.10147	0.9
177.12776	1.6
181.10205	0.3
182.65445	0.3
182.97549	0.4
187.11177	1.9
193.10199	0.4
193.26605	0.3
205.12219	2.2
205.15836	0.4
208.03654	0.4
208.12483	0.4
223.05875	1.3
223.11215	0.6
223.13148	4.0
223.15108	0.6
223.16965	1.8
227.02217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03939	1.0
55.01854	2.3
55.05296	0.6
55.05511	7.5
55.93497	0.6
56.96555	2.6
57.03421	0.6
57.07067	1.2
58.50902	0.6
59.04999	0.8
60.68866	0.6
61.94784	0.6
63.56105	0.6
67.05497	7.5
69.03417	1.3
69.07066	8.8
69.92841	2.0
69.93243	1.7
71.04957	0.8
72.93786	0.6
79.05484	4.8
81.02978	0.9
81.03415	12.6
81.07055	5.8
83.04977	1.6
83.08636	4.0
91.05479	3.9
93.07034	5.3
94.04173	4.9
95.04964	16.4
95.08603	4.5
97.02907	1.0
97.06506	1.3
98.20777	0.9
105.03367	0.8
105.07018	2.8
107.04954	5.5
107.08591	3.6
109.06513	1.6
109.10116	1.6
111.08062	1.5
117.06988	3.2
119.08567	2.0
121.06466	2.3
121.10144	1.9
123.08040	2.0
123.11646	0.7
131.08542	2.3
133.10138	0.8
135.08083	0.9
135.11670	2.0
144.08107	0.9
145.06474	2.1
145.10117	1.5
149.01251	1.6
149.02289	1.6
149.09627	1.0
159.08873	0.7
159.11668	1.2
163.11131	2.7
167.02174	1.0
167.05600	0.6
170.57787	0.7
177.12726	1.8
181.10056	0.7
193.10156	1.2
193.12309	0.6
205.10353	0.6
205.12244	2.1
205.15900	0.7
223.05927	2.3
223.13266	100.0
223.16890	3.9
224.13560	2.5
225.04059	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03931	3.5
55.01851	1.4
55.05507	19.6
56.96550	2.9
57.03428	1.6
57.07072	5.5
59.04990	2.5
65.03924	2.3
66.51970	1.1
67.05497	18.5
69.03418	2.1
69.07063	16.3
70.21251	2.0
70.21633	2.0
71.04985	17.8
73.06538	2.1
79.05055	1.8
79.05486	26.0
81.03410	1.3
81.07051	82.4
83.04967	2.4
83.08612	10.3
84.52927	1.2
85.06536	3.5
91.05471	18.7
93.07036	46.2
93.93716	1.1
95.04986	5.5
95.08602	42.4
97.02862	1.3
97.06512	2.8
97.10172	3.5
98.97529	1.3
99.08068	3.6
103.05431	1.3
105.07024	34.0
107.04951	3.0
107.08588	71.6
108.09021	1.2
109.06512	6.6
109.10149	34.6
110.93372	1.0
111.08073	6.1
113.09617	1.7
115.05398	1.6
117.07001	3.1
119.08573	38.3
121.06496	2.9
121.10115	14.9
123.08048	5.5
123.11693	15.8
123.41409	1.0
125.09609	2.6
127.11183	6.5
130.06493	1.9
131.08560	2.7
132.04454	1.2
133.06470	2.5
133.10120	30.6
134.99712	1.3
135.08058	8.4
135.11681	100.0
136.12016	1.4
137.05965	2.2
137.09581	4.4
137.13240	5.1
139.11183	1.9
143.08617	1.1
145.10126	4.5
147.08101	1.2
147.11681	29.7
149.02325	8.4
149.13245	8.4
151.03857	2.0
151.11139	5.3
153.12743	1.6
157.10098	2.4
159.11638	1.7
159.89473	1.0
161.06004	1.5
161.09612	2.6
161.13239	12.8
163.07570	1.2
163.14803	5.5
165.09145	1.8
165.12717	3.5
175.07512	1.4
175.11172	4.9
175.12547	1.0
175.14777	5.5
176.07285	1.3
177.12747	1.1
177.16417	1.5
178.07732	2.5
179.10686	2.1
193.12218	1.4
193.15881	1.1
203.10657	1.9
203.14314	3.1
203.17940	32.2
221.07977	1.6
221.11688	4.0
221.13551	2.0
221.15637	8.9
221.19003	48.1
221.22046	5.6
222.19327	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	221.1171
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03952	0.9
55.01861	1.6
55.05506	4.9
56.96567	3.2
57.03424	1.7
64.08791	0.5
67.05501	6.8
69.03431	6.4
69.07052	1.7
69.18378	0.5
70.58019	0.5
70.58360	2.0
71.04987	2.2
79.05486	4.5
80.97491	0.5
81.03429	0.8
81.07056	4.8
83.04987	0.8
85.02892	1.5
87.04449	0.6
91.05466	11.2
92.05814	0.7
93.07048	4.6
94.04211	0.7
95.04967	4.0
95.08605	10.5
95.09193	0.4
95.50887	0.6
97.02892	1.7
98.97578	4.3
105.07023	13.8
107.04972	2.0
107.08590	9.0
108.05730	5.7
108.08889	1.1
109.02838	0.5
109.06511	13.5
109.10142	2.8
111.04433	1.1
113.02359	1.9
113.06001	3.0
115.05446	0.7
116.68252	0.6
116.98621	4.2
117.07013	2.0
117.98933	0.7
119.04895	0.8
119.08576	15.2
121.06509	5.5
121.10134	4.9
123.08061	100.0
124.08408	3.3
128.06233	0.9
128.98624	1.1
129.05284	0.5
129.06990	1.8
130.06519	0.6
131.08527	3.1
133.06485	1.7
133.10112	7.9
134.99652	2.7
135.08029	6.0
135.11777	0.7
137.05983	0.7
139.07526	1.0
141.06989	0.7
142.07773	3.5
143.08513	0.6
144.09317	1.5
145.06476	1.3
145.10103	1.7
146.07262	0.7
146.99622	1.3
147.08069	2.6
147.11674	15.4
148.12108	0.7
149.09619	1.0
149.13245	0.8
151.07565	1.1
151.11159	0.6
157.10112	10.3
158.05948	0.9
158.10455	0.6
158.99707	1.2
159.11670	4.4
160.08838	3.3
161.09625	2.6
161.13231	1.8
163.07533	1.0
165.09106	0.6
165.12756	0.8
175.08682	1.5
175.11176	33.0
176.11530	1.4
177.00691	1.9
178.01047	0.9
179.10692	1.5
185.09622	0.9
193.12253	3.1
203.10629	4.5
203.14265	0.9
221.11720	33.7
221.15303	2.8
222.11992	0.9
237.49467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.05504	0.8
56.05030	0.8
56.96543	1.3
57.03425	0.8
57.07067	0.7
60.04524	0.9
67.05486	1.5
69.07059	1.2
70.06584	1.4
71.43511	0.8
71.43844	1.1
72.04503	1.0
72.08157	1.4
73.02916	0.7
74.02438	0.9
74.06078	0.6
79.05497	1.0
81.07053	0.9
82.02931	1.8
83.08617	0.7
84.08139	2.0
90.05547	4.9
91.05403	0.9
91.05901	1.8
94.06562	4.7
97.02893	0.6
98.02412	0.7
98.97575	1.5
103.05422	0.8
103.07603	0.9
104.04977	0.7
107.04936	1.2
107.08623	0.8
110.07162	1.8
111.08069	0.8
115.05435	0.7
116.98588	1.4
118.06532	0.7
119.08586	0.8
120.08076	1.2
121.06528	1.4
125.07989	0.8
130.06519	69.2
131.06871	1.1
132.04446	42.0
133.10107	1.1
134.99635	0.6
135.08072	0.8
136.07603	1.1
147.09149	1.2
148.07544	3.3
149.01143	0.6
151.11176	0.6
157.07605	35.3
158.06003	83.1
159.06340	1.6
161.09572	0.6
175.08661	100.0
176.07053	1.6
176.08971	1.7
185.07187	0.6
185.10013	2.2
186.05501	2.5
203.08144	11.7
203.11069	1.8
204.06558	4.1
221.07144	1.8
221.09210	18.8
221.12073	2.7
237.27315	0.6
242.13564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03943	7.0
55.01855	9.6
55.05506	48.1
56.96558	15.8
57.03429	11.7
57.07070	4.0
59.04958	3.1
65.03918	3.7
67.05500	39.3
69.03423	71.0
69.07059	9.6
70.06580	13.4
71.04989	49.8
71.18445	9.5
72.08157	4.8
73.02936	4.2
73.06571	3.0
74.01787	3.9
74.02448	3.6
76.30469	3.5
76.97803	2.9
79.05479	34.9
81.03404	12.0
81.07050	39.2
83.04982	32.4
83.08636	4.6
84.04485	4.4
84.08154	11.9
85.02897	100.0
85.06535	4.0
87.04461	18.8
87.04899	3.1
88.04768	6.1
91.05459	58.2
93.07034	36.2
95.04960	50.7
95.08599	29.6
97.02913	6.2
97.06538	10.4
98.97574	10.7
99.04452	50.2
102.09205	5.2
105.07024	66.7
107.04958	15.0
107.08584	41.2
109.06516	80.0
109.10152	23.1
110.07211	3.6
111.04394	4.7
111.08080	15.2
115.05457	12.8
116.06292	3.7
116.98616	10.8
117.06998	20.5
119.04900	7.7
119.08568	46.3
120.08167	4.7
121.02885	5.0
121.06503	62.9
121.10153	11.9
122.07343	3.6
123.04410	17.3
123.08070	47.3
123.11700	11.2
125.05988	12.9
128.06212	6.9
129.07021	9.2
130.06505	21.4
131.08542	23.8
132.04463	8.0
133.06465	14.3
133.10107	46.4
134.09644	14.8
134.99648	9.2
135.08049	82.3
135.09010	6.9
135.09915	19.6
135.11635	7.1
137.05981	31.5
137.09615	19.9
138.06764	28.7
139.07539	11.9
142.07735	15.4
143.08508	15.7
145.06482	12.5
145.10065	4.6
145.86238	3.3
146.07242	6.1
147.04390	11.7
147.08046	12.6
147.11684	34.6
148.07538	3.4
149.05975	7.4
149.09616	39.8
151.07552	18.7
151.11162	22.8
157.10121	20.4
158.06041	10.5
158.99707	3.8
159.08051	13.7
159.11668	9.0
160.08829	11.5
161.05977	7.1
161.09592	66.3
161.13210	4.3
163.07529	53.5
163.11218	4.2
165.05435	15.9
165.09157	5.2
165.12761	6.9
167.06946	15.9
175.07368	4.2
175.08682	14.1
175.11145	60.1
175.14806	7.0
177.00719	8.5
177.09123	23.6
178.09552	4.3
179.07018	4.9
179.10658	34.6
180.75180	3.3
193.12259	18.2
193.15941	4.8
203.03340	6.9
203.10617	44.1
203.14290	5.3
221.04663	3.9
221.07158	4.7
221.11726	77.0
221.13640	18.1
221.15379	15.1
221.17462	4.8
221.67062	3.2
238.61678	3.2
240.64713	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.02376	0.3
55.01867	0.6
55.05507	0.9
56.05030	0.7
56.96560	2.9
57.03440	0.8
57.07071	0.8
59.04975	0.4
60.04520	0.7
60.95845	0.4
61.01147	0.6
61.02919	1.3
62.27660	0.3
64.25029	0.4
67.05480	1.1
68.05017	0.3
69.03421	0.8
69.07066	0.9
69.42209	0.4
69.95989	2.1
70.02947	0.6
70.06590	2.2
71.04988	0.4
72.04512	0.6
72.08154	1.5
73.02911	1.7
74.02421	1.2
74.06094	0.4
79.05501	0.5
81.03392	0.7
81.07043	1.2
82.02934	2.2
83.06084	0.5
84.04492	0.7
84.08128	2.2
85.02901	1.4
85.06548	0.4
85.54050	0.4
86.09683	0.9
90.05546	3.7
91.05404	0.6
91.05878	1.7
93.07015	0.5
94.06554	4.7
95.01322	0.6
95.04938	0.5
95.08620	0.9
97.02879	0.9
98.06072	0.5
98.97572	2.6
100.02482	0.4
103.05441	1.0
103.07538	0.4
104.05297	0.5
104.07907	0.4
104.54275	0.4
105.07033	1.0
107.04952	2.7
107.08557	0.4
109.10140	0.7
110.07150	2.0
111.08095	0.6
112.99093	0.5
115.05412	0.7
116.03421	0.5
116.98615	3.1
118.03505	0.4
119.01907	1.6
119.08547	0.6
120.08085	1.3
121.01660	2.8
121.06493	0.9
122.06037	0.5
123.08085	0.4
125.07898	0.8
127.03920	0.7
128.98558	0.4
129.10280	0.4
130.06517	64.6
131.00182	0.7
131.01917	0.5
131.06880	0.8
132.04440	39.9
133.03252	0.8
133.04726	0.5
133.10054	0.4
134.06007	0.7
134.99597	2.3
135.03166	1.7
135.08018	0.6
136.06223	0.4
136.07529	1.3
137.02893	0.7
137.05945	0.5
139.02637	1.1
143.08858	0.4
146.05948	0.6
146.99635	0.8
147.09161	0.7
148.07567	3.9
148.83826	0.4
149.01218	1.4
150.05795	2.3
150.09100	0.5
153.04248	1.1
157.07603	26.2
158.06001	83.7
159.06281	1.5
161.05872	0.4
161.09566	0.5
163.02702	1.4
173.03294	0.4
173.04681	1.7
175.08658	100.0
176.07056	1.8
176.09021	1.7
179.02316	0.7
185.07100	0.5
185.09981	1.2
186.05544	2.1
191.05818	1.6
193.03764	0.9
193.06995	0.4
197.03345	1.4
203.08160	4.1
203.11107	1.3
204.06573	4.3
219.01649	0.5
221.03333	0.8
221.06944	6.3
221.09203	16.8
221.11880	1.8
222.09468	0.5
239.06100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
50.77781	0.5
55.05500	0.7
55.25092	0.5
56.65356	0.5
56.96556	1.3
59.30131	0.5
67.05485	0.6
69.03417	0.8
70.06575	2.3
70.98653	0.9
77.83704	0.5
81.07031	0.7
82.02921	1.3
83.08591	0.7
90.05576	0.7
91.05425	0.6
94.06555	3.5
95.04945	0.7
97.02872	0.9
97.52482	0.6
103.05428	0.8
104.04893	0.6
106.06506	0.7
115.05453	0.8
116.07072	1.6
120.08037	1.8
121.06451	1.2
127.07052	0.7
129.14349	0.6
130.06512	55.1
131.06828	0.8
132.04440	36.7
133.10123	0.8
134.05992	4.1
135.08014	0.9
140.04893	0.7
146.06009	1.2
147.06358	2.1
147.09192	1.2
148.07547	3.5
157.07611	21.8
158.06003	72.2
159.06433	1.2
160.07617	3.4
161.09663	0.7
162.05469	10.4
175.08655	100.0
176.07027	2.8
176.08995	1.7
181.04984	0.8
186.05478	4.3
203.08185	1.3
204.06549	14.8
221.09209	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	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
56.96556	0.2
67.05485	0.1
70.00603	0.6
79.05455	0.2
95.08616	0.2
98.20742	0.3
99.72777	0.1
103.07343	0.1
105.06992	0.2
106.06542	0.2
107.08612	0.2
117.05777	0.2
118.06529	11.1
119.07352	0.2
119.08532	0.2
129.26833	0.1
131.08603	0.1
132.08064	3.3
133.08856	1.4
134.09605	0.8
144.08083	0.3
146.09621	3.3
147.10419	0.4
159.89436	0.1
160.11191	0.4
161.11868	0.2
162.09114	6.7
170.66081	0.2
176.10753	4.5
176.14319	29.9
176.70320	0.2
177.11455	1.7
177.14658	0.7
189.15025	0.2
190.12234	3.4
191.13017	0.2
202.15874	1.1
204.13974	0.2
220.16927	100.0
221.17279	2.5
226.08536	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	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
57.14917	0.5
70.06584	0.8
70.98636	0.9
70.98966	0.5
74.02427	0.6
82.02920	1.8
94.06567	3.6
95.08570	0.7
103.05434	0.8
104.04981	0.7
105.07041	0.8
106.06587	0.8
111.08063	0.7
115.05426	1.6
116.07069	0.6
120.08092	1.3
121.06483	0.8
130.06517	50.3
131.04886	0.6
131.06873	1.0
132.04443	34.3
134.06001	6.7
146.06023	2.1
147.06352	2.2
147.09215	0.8
148.07561	3.4
157.06522	0.5
157.07602	20.3
158.06003	70.8
159.06505	1.3
160.07573	2.4
161.09581	0.5
162.05487	9.7
175.08658	100.0
176.07033	1.8
176.08951	1.7
186.05463	4.0
203.08102	1.0
204.06534	14.8
221.09207	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	220.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09082	0.3
53.03932	0.6
55.01853	0.8
55.05500	3.2
55.93494	0.6
56.05018	1.3
56.96561	1.6
57.03419	1.1
57.07072	3.7
58.06590	0.4
59.05000	1.9
60.04520	13.8
61.02909	0.8
61.04222	0.5
61.04850	3.5
67.05496	4.2
68.05012	0.8
69.03422	3.7
69.07062	2.9
70.02951	3.0
70.06589	5.3
70.29137	1.4
71.04984	0.7
71.17645	0.3
72.04510	6.2
72.08149	12.5
72.93771	0.8
73.02905	2.3
73.06512	0.3
74.02438	3.1
74.06059	0.9
79.05499	1.8
79.51231	0.3
81.03406	0.5
81.07049	5.0
82.06556	0.4
83.04971	0.8
83.06094	0.4
83.08602	0.4
83.90589	0.3
84.04482	1.1
84.08126	1.5
84.96025	0.4
85.02898	1.5
85.06065	0.5
85.06541	7.3
86.06062	8.9
86.09706	5.7
87.04461	21.8
87.08104	0.8
87.09424	0.5
87.10026	5.8
88.03948	0.5
88.04795	0.4
90.05547	38.8
91.05429	0.5
93.07021	0.5
94.06567	0.7
95.04967	3.5
95.08541	0.6
96.08116	0.8
97.02881	1.0
98.02407	4.4
98.06046	32.5
98.21433	0.5
98.97571	1.3
99.04430	0.4
100.03973	0.6
101.09653	0.6
102.05504	0.3
103.05450	0.6
103.07571	2.5
105.06977	0.9
106.02811	0.5
106.07323	0.4
107.04951	1.4
107.08617	0.4
108.08891	0.3
109.06480	0.6
109.07631	0.4
110.07155	0.6
111.02015	0.5
111.04459	0.4
111.08022	0.6
112.07555	0.5
113.05974	1.0
116.03445	6.7
116.98594	1.1
118.06532	0.7
119.01929	0.5
119.08566	0.6
120.01986	0.4
120.08106	1.1
120.08894	0.7
121.06477	0.8
121.08439	0.8
121.10146	0.4
122.07086	0.5
124.07586	7.6
127.03951	0.5
128.10719	0.7
128.98645	0.4
130.05037	0.4
130.06491	2.1
131.00188	1.1
131.04907	1.1
131.07031	0.9
132.04439	1.0
132.10196	3.3
133.03325	0.5
133.10568	4.9
134.10439	0.8
134.99641	1.2
135.06787	0.4
140.10689	20.3
141.11038	0.4
142.08607	3.2
145.10129	0.5
146.05975	3.0
146.99573	0.6
148.07536	1.3
149.01196	1.4
156.04419	1.2
156.10197	1.3
157.07574	0.8
158.06027	2.5
158.11751	100.0
158.99643	0.5
159.12047	1.7
160.09731	0.6
161.04710	0.8
161.05920	0.4
162.13593	0.6
166.08643	0.9
169.04391	0.8
173.04895	0.6
173.12878	0.6
174.05490	3.7
174.11346	1.9
174.13243	2.7
175.08649	5.3
176.06963	0.6
177.00725	0.5
177.12747	0.4
178.99841	0.5
179.18242	0.4
184.09682	8.9
190.06323	0.4
202.04996	1.4
202.08801	0.7
202.10735	11.3
202.12469	0.6
202.14328	7.8
203.10995	0.5
203.14214	0.6
204.14626	4.4
205.15852	2.9
209.06248	0.5
211.04875	0.5
214.98550	0.5
220.07648	1.8
220.09828	0.6
220.11848	9.8
220.15434	9.8
220.17773	13.0
221.06721	0.5
221.09169	1.4
221.11617	0.5
221.15430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1332
Annotation	Darlingine
Peak:m/z	Relative Intensity
55.05507	0.9
55.93525	0.5
56.05013	0.5
56.96552	2.4
57.03440	0.9
57.07059	0.7
60.04514	0.7
67.05492	1.1
67.54210	0.4
69.03421	1.7
69.07054	2.1
70.06581	1.9
70.07388	1.5
71.29315	1.1
72.08135	1.4
72.93777	0.6
73.08499	0.5
79.05485	1.7
80.05006	0.6
80.52493	0.4
81.03397	0.5
81.07057	4.5
83.04974	0.5
84.04506	1.0
84.08154	0.6
85.02898	1.0
86.09705	2.3
87.02691	1.4
87.04460	66.6
88.04814	0.5
90.05533	1.4
91.05472	2.4
93.05784	0.8
93.07046	1.8
95.04972	1.2
95.08630	0.6
96.08167	0.7
97.06540	0.8
97.98250	0.5
98.97575	1.7
99.08105	0.5
100.03982	0.5
103.05476	0.8
105.07016	1.9
106.07397	0.8
107.04948	0.7
107.08585	1.9
108.08136	0.7
109.06520	0.6
110.07134	1.4
111.04428	0.6
116.98611	2.0
117.07002	1.8
118.06539	7.7
119.04940	0.5
119.07316	6.7
119.08588	1.3
120.08094	1.5
120.08861	0.6
121.06458	1.1
121.08424	0.9
121.10132	1.0
122.02742	0.9
122.10468	0.7
123.08038	0.8
124.03970	0.6
124.07611	0.9
130.06529	0.9
131.08533	0.7
132.04442	0.9
132.08076	0.7
133.10112	1.5
134.09639	100.0
134.99628	2.9
135.08032	0.8
135.09979	1.2
146.05969	1.1
147.08014	0.8
150.05463	0.6
152.07037	0.7
158.06036	0.6
161.08295	0.8
161.09608	1.1
162.13625	0.6
174.11310	1.0
174.12637	0.7
175.11150	1.0
177.00713	1.5
179.09213	0.7
192.17555	0.5
202.08859	1.6
202.17967	0.5
203.09114	0.6
204.14632	5.0
205.15871	2.4
220.09776	1.7
220.13324	64.2
220.17751	15.3
221.11636	0.7
221.13536	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	220.1178
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.62984	0.8
55.01870	1.0
55.05493	1.5
55.40321	0.8
57.07073	6.8
59.04991	5.2
67.05499	5.3
69.07050	4.8
70.02957	7.7
71.64353	0.9
72.04144	1.2
72.04510	17.3
73.02901	2.9
74.02429	1.2
81.07024	0.9
83.04959	1.5
85.06539	12.1
86.09693	2.0
87.08109	1.6
90.05549	100.0
95.04959	7.7
95.40816	0.9
96.08124	2.5
98.02405	16.4
98.06044	0.9
100.03947	3.2
103.07570	8.9
113.05975	2.1
116.03448	14.9
124.07578	21.2
131.07019	1.9
132.10213	1.0
142.08598	8.3
158.11748	2.8
160.09683	2.8
166.08638	2.0
174.11234	2.2
184.09682	18.3
202.10727	26.0
220.11774	23.5
242.20430	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	220.1177
Annotation	Pantothenate
Peak:m/z	Relative Intensity
53.99949	0.5
55.05499	2.0
56.05018	0.8
56.96560	7.4
57.03438	4.1
57.07064	6.3
59.04986	3.1
60.04522	4.9
60.95848	0.5
61.02633	1.0
61.02923	10.5
61.04847	1.8
67.05499	5.4
68.05009	0.7
69.03413	3.3
69.07065	4.1
70.02943	6.4
70.59119	1.8
70.59473	0.7
71.01350	0.6
71.04988	1.8
72.04508	10.8
72.08155	3.3
72.93789	1.0
73.02913	7.0
73.06554	1.3
74.02434	1.7
74.06058	1.2
77.00879	0.8
79.05495	0.6
81.03404	1.3
81.07035	1.4
82.06561	0.7
83.04980	2.9
83.99922	0.9
84.04505	6.6
84.08125	0.9
84.96041	0.7
85.02888	7.3
85.06533	9.8
86.09695	2.4
87.04462	0.7
87.08077	1.2
87.10032	2.5
90.05545	77.0
90.94795	0.7
91.03947	1.6
93.06999	0.8
95.01304	1.1
95.04964	6.3
96.04512	1.0
96.08110	1.7
97.02869	4.3
97.06551	0.8
98.01359	0.8
98.02410	8.2
98.06017	0.6
98.97590	3.8
99.04433	0.7
100.03983	1.8
101.00888	1.7
101.02373	0.8
102.00980	2.5
102.05536	0.9
103.02418	1.7
103.07570	5.2
104.02522	1.7
104.78947	0.7
106.02847	1.0
109.02834	0.7
110.01276	0.6
110.09659	3.1
112.07590	2.3
112.99120	0.8
113.02366	1.3
113.06002	2.1
114.05507	0.6
115.02415	0.7
115.03301	1.1
116.02534	3.6
116.03445	12.9
116.98611	3.3
117.18467	0.6
118.01836	0.7
119.01902	12.9
119.03598	0.6
119.08586	0.6
120.01994	21.2
120.03275	0.8
121.01664	6.0
121.03501	1.5
122.03573	1.0
123.03166	0.6
124.07590	13.4
127.03970	0.9
128.10660	0.9
128.98575	0.7
129.04007	1.0
130.04077	0.9
130.05002	1.3
130.08633	3.1
131.00174	2.9
131.01888	1.0
131.07025	1.4
132.10190	1.1
133.03458	14.1
133.10487	1.6
134.03563	33.4
134.99615	2.7
135.01222	1.2
135.03183	9.3
137.02936	4.7
137.98409	1.1
138.03017	8.1
138.09120	1.6
139.02667	2.6
142.05028	1.0
142.08633	6.4
142.96538	0.6
143.01871	2.0
144.02010	5.4
144.03546	0.7
145.01630	1.2
145.03427	1.6
146.05957	1.0
146.99638	1.6
147.05028	1.1
148.04877	3.9
148.54749	1.0
149.01169	4.3
149.02960	1.2
149.04791	0.8
149.96074	0.7
150.01775	2.1
150.51906	0.6
151.04498	7.0
152.04613	12.2
153.04211	2.8
154.04062	0.7
156.05426	0.8
156.06541	0.8
156.10197	4.5
157.05148	1.0
158.03593	1.0
158.11823	0.8
159.05048	1.7
160.05051	6.8
160.09688	1.7
160.97520	1.0
161.01201	1.0
161.02948	5.1
161.04781	1.8
162.03075	20.1
163.02715	4.0
166.06238	0.9
166.08621	2.4
167.02266	1.2
171.05009	1.7
172.05168	20.2
173.03096	0.9
173.04791	3.6
174.05583	3.6
174.07532	0.8
174.11252	5.9
174.12650	0.8
174.13277	0.8
175.02887	1.3
175.04497	3.0
176.04697	4.2
176.09154	1.2
177.00682	1.0
177.02429	0.6
177.04092	0.9
177.06146	0.7
178.06197	4.3
179.00407	1.8
179.05894	0.9
184.03323	0.7
184.09654	17.5
185.03049	0.8
185.04655	1.1
187.00865	0.7
187.04501	2.0
188.00888	0.9
188.97037	0.8
189.00647	1.1
189.06087	1.4
190.06229	16.4
190.98576	0.8
191.04054	1.1
191.05864	2.8
193.00175	1.2
193.03828	0.8
195.06964	1.1
196.07291	3.7
197.01274	0.7
200.04469	1.2
201.06073	0.7
202.10719	22.2
203.03754	0.8
204.14766	3.7
205.15837	1.7
206.98094	0.8
211.04648	1.0
220.07303	100.0
220.11754	24.7
220.17780	14.5
221.06862	18.9
221.11810	0.6
238.08316	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	220.0967
Annotation	(2S,3R)-2-Hydroxy-3-(indol-3-yl)butanoate
Peak:m/z	Relative Intensity
53.03928	0.7
55.05506	2.1
56.05029	1.6
56.96560	5.0
57.03426	0.7
57.07058	0.7
67.05508	2.4
68.05019	6.8
69.03419	1.4
69.07065	1.1
70.02943	1.4
70.06589	1.0
71.04985	0.6
71.59360	0.7
72.04523	6.2
72.08150	0.9
73.02912	1.8
74.84286	0.5
75.03963	0.5
79.05486	20.3
81.07042	1.9
82.02985	0.6
83.03711	1.2
83.08634	0.8
84.04499	1.4
85.02911	1.1
86.06052	0.6
86.09673	0.7
87.42372	0.6
87.84285	0.5
90.05549	0.8
91.05473	19.0
92.05804	1.2
93.07014	3.1
94.07384	0.7
95.04954	1.8
95.08588	1.9
96.04493	1.6
97.02881	0.9
98.97577	3.3
99.04473	0.8
103.05458	22.3
104.04987	1.2
105.07021	100.0
106.06570	0.9
106.07369	2.1
107.04944	17.6
107.08589	2.3
109.06487	1.3
109.10157	1.0
113.05956	0.6
115.05450	0.8
116.98608	2.0
117.05750	0.8
117.07041	2.8
118.06524	2.2
119.08549	2.9
120.08102	14.9
120.08883	1.0
121.06525	1.6
121.10135	1.3
122.10425	0.9
123.08059	5.5
124.07590	0.9
128.06169	4.1
129.06996	20.1
130.06508	15.0
130.07346	0.9
131.04921	9.5
131.08540	1.6
132.08052	1.5
132.08928	1.4
133.06424	0.8
133.10091	4.0
134.10483	1.7
134.99655	2.2
135.08055	1.9
142.07397	0.6
144.08052	6.1
144.09094	0.8
145.06458	1.6
145.10069	0.8
146.06030	1.0
146.09619	16.9
146.99570	0.9
147.08029	1.0
147.11674	1.8
149.05981	1.3
156.08076	20.8
157.06474	2.4
157.10167	0.6
158.05945	0.7
158.99701	0.9
159.11722	0.7
160.12033	1.2
161.09569	2.8
161.13213	1.0
162.09999	0.8
172.07553	1.4
174.09131	87.1
175.07275	0.9
175.09691	1.4
175.11031	3.4
176.07043	1.7
176.15207	0.6
177.00706	2.1
178.05229	0.7
179.10655	0.9
192.10181	1.8
199.06042	0.7
202.13058	0.6
203.10582	1.1
204.14607	3.6
205.15894	1.6
220.09674	58.6
220.17789	11.4
221.10063	1.1
221.11751	2.5
223.97940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.01869	1.3
55.05509	6.0
57.07053	2.4
59.04981	2.5
59.27482	0.8
67.05502	8.1
69.03412	1.2
69.07063	29.3
70.14235	1.5
70.14647	3.0
71.04969	3.7
79.05477	6.1
80.08886	0.9
81.07056	13.6
83.04967	1.3
83.08619	4.2
85.06516	3.3
91.05470	7.4
93.07037	15.0
95.04938	3.4
95.08601	22.4
97.06502	2.4
97.10165	1.7
105.07026	18.7
107.04885	1.0
107.08589	21.1
109.06505	5.0
109.09469	1.0
109.10151	19.9
111.08075	2.4
117.07011	4.0
119.07784	1.7
119.08574	20.0
121.06470	1.5
121.10133	18.1
123.08055	4.8
123.11722	6.0
125.09634	1.3
130.07787	2.0
131.08562	7.1
133.10123	10.6
135.08051	4.6
135.11693	15.1
137.09598	9.3
137.13213	1.4
143.08507	1.1
145.10123	18.5
147.07965	0.9
147.11708	6.1
149.09601	9.2
149.13234	5.0
151.11188	1.9
159.11693	10.4
161.09593	0.9
161.13249	10.5
163.11194	16.5
171.11649	1.2
173.13264	3.5
175.14839	7.7
177.12724	2.4
177.16364	2.8
189.12688	1.6
191.17941	7.9
201.16371	15.8
203.14308	4.8
219.17427	100.0
220.17897	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	219.1337
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.05523	0.8
56.31850	0.5
57.07066	0.6
59.43305	0.4
60.04521	100.0
60.95783	0.5
64.83447	0.4
65.77089	0.5
67.05499	0.7
68.38248	0.4
69.07059	0.9
69.99451	1.0
69.99860	1.9
70.02950	0.9
70.06598	2.5
70.41553	0.5
71.31107	0.4
72.04498	1.0
72.08147	2.2
75.04472	0.5
85.06553	0.9
86.09698	67.5
87.04472	1.1
87.05582	3.4
90.05552	4.2
92.95744	0.5
98.02379	0.8
98.06037	0.6
98.21431	0.6
105.07066	0.5
107.08581	0.9
116.03428	0.8
119.01912	1.0
119.08573	1.2
120.08102	1.2
121.10151	1.6
123.08101	0.5
124.07597	0.7
126.09153	0.9
128.10693	2.6
132.10194	48.5
133.10197	0.7
140.10677	1.2
158.11742	3.6
159.02945	0.6
161.02951	0.9
161.13345	0.5
171.05074	0.6
172.09727	0.6
173.12843	24.7
184.09789	0.6
187.11110	0.7
201.12267	3.4
202.10732	1.0
202.14546	0.6
203.14330	4.8
219.07124	2.2
219.13409	6.1
219.17421	16.3
220.11824	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	219.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
56.05024	1.0
56.96568	2.0
58.99857	0.6
60.04522	2.6
61.02931	0.5
67.05518	0.4
69.07055	0.5
70.04733	2.3
70.06580	0.6
71.04983	0.5
72.08152	6.1
72.08535	0.7
74.06076	5.2
74.26887	0.4
77.00871	0.4
82.99832	0.9
83.04977	1.4
84.04497	1.2
84.08134	1.3
85.01382	1.0
86.09693	7.5
88.07597	0.4
97.01402	0.6
97.02906	0.6
98.20805	0.5
98.97578	1.7
101.00865	9.0
101.24532	0.4
103.02454	2.8
115.02409	8.5
116.98614	1.1
118.08643	0.9
119.01910	44.8
120.01958	0.5
121.03451	1.7
124.69915	0.4
129.03934	2.9
130.04996	0.5
131.01941	0.6
132.10193	1.0
133.03456	56.3
134.02428	0.4
134.03587	1.0
134.99600	0.5
137.02956	11.4
138.03088	0.5
141.03941	1.5
142.03474	0.8
143.01881	7.6
146.99706	0.6
147.05008	5.0
151.04506	12.7
151.42134	0.5
153.03949	1.4
156.05147	1.1
157.03444	2.3
159.05013	10.6
161.02945	27.6
162.03052	0.7
163.04492	0.4
171.05013	30.5
172.05211	0.5
173.12834	1.5
175.04483	4.8
177.06064	4.8
179.04073	1.0
183.05083	0.6
184.04442	0.5
189.06067	18.8
190.06120	0.5
194.06548	0.7
195.07135	3.4
201.06013	1.1
201.12277	0.5
203.14291	1.5
219.07121	100.0
219.17435	4.4
220.07338	2.5
237.08261	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	217.1221
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
53.03942	5.1
55.01859	5.1
55.05503	24.1
56.94563	0.8
56.96552	1.1
59.04975	1.7
65.03916	2.0
66.76103	0.8
67.05495	9.9
69.03424	7.6
69.07055	3.4
69.67346	7.2
71.04973	1.1
73.02876	1.2
77.03935	0.9
79.05481	33.1
81.07049	49.6
83.04971	33.9
83.08596	1.3
85.06525	2.4
87.04462	3.5
89.02369	2.2
89.06030	4.4
91.05476	15.5
93.07035	19.0
95.04967	8.2
95.08592	2.5
97.06516	4.4
98.21465	1.9
99.04436	3.6
101.06009	10.1
103.05452	2.5
105.07016	20.4
107.04964	5.1
107.08588	4.2
109.06503	35.8
109.07249	1.7
111.04428	37.6
113.05988	5.8
115.05457	2.4
117.07034	4.4
119.04912	2.3
119.08572	8.9
121.06489	100.0
121.10118	1.2
122.06864	1.1
123.04445	0.9
123.08051	2.6
125.05974	1.0
127.07540	24.8
128.06209	6.3
129.05478	11.9
129.06975	12.2
131.08536	6.9
133.02820	0.9
133.06494	4.3
133.10172	5.1
135.04416	8.0
135.08018	5.9
137.05965	3.7
141.06973	4.4
142.07770	8.9
143.08568	15.2
145.06424	3.3
145.10083	5.4
147.08003	5.4
147.11653	7.9
153.06985	1.2
155.07021	50.5
155.08470	4.0
156.05698	2.9
156.07349	1.3
156.09344	9.5
157.06509	2.4
157.10106	17.6
158.07225	1.8
159.08063	3.4
160.08804	1.6
161.05978	3.6
161.09602	2.6
161.13242	2.5
165.06993	3.6
166.07761	6.3
169.06447	1.5
171.08031	3.4
171.11664	23.4
171.29309	0.9
173.08101	26.8
173.09575	4.6
175.11166	13.9
181.10098	8.3
183.07855	0.9
184.08847	5.1
189.09097	1.2
189.12700	13.7
199.07497	1.1
199.09624	2.1
199.11153	35.8
217.05006	2.5
217.08485	3.0
217.10600	16.0
217.12241	46.7
217.15637	2.0
217.19287	1.7
218.12706	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	216.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.8
55.05503	8.5
56.05036	1.1
56.96563	1.9
57.03440	0.9
60.04530	2.2
62.06081	4.8
67.05497	3.2
68.05064	0.6
69.03419	0.8
69.07070	2.1
69.53075	2.9
69.53484	1.1
70.02952	2.4
70.06586	2.2
71.07351	0.9
72.08158	4.0
72.93802	0.8
73.02910	6.7
79.05485	3.7
79.57368	0.5
81.07053	10.9
82.06583	1.1
83.04981	7.9
83.08613	1.1
84.04478	0.7
84.08146	2.2
85.06529	1.3
86.06059	51.8
86.09730	0.7
87.04465	1.3
88.03990	0.9
89.02393	0.6
89.06031	1.5
90.94790	0.7
91.05476	2.9
93.07034	3.2
95.04962	1.2
95.07354	0.7
95.08616	2.3
96.08116	7.3
97.02899	1.0
97.06550	0.7
98.06052	1.3
98.09693	5.2
98.21458	0.8
98.28175	0.5
98.97593	1.2
99.04435	1.8
100.07607	1.3
101.02370	14.8
101.06023	3.4
105.07040	1.3
107.08588	1.8
108.08105	4.5
109.06509	17.3
109.10136	1.0
110.06030	1.0
110.09672	0.7
111.04440	10.0
111.08073	12.2
112.07629	0.6
113.06016	1.9
114.09151	1.1
114.40920	0.5
116.10719	33.8
116.98630	1.0
119.08537	0.7
120.08059	0.9
121.02846	1.0
121.06505	0.6
121.08885	1.7
122.09710	1.2
124.07600	1.8
124.11221	1.7
126.09127	1.1
127.07550	1.0
128.10716	0.9
129.05476	4.0
131.08604	0.9
132.08977	0.6
132.95920	0.8
134.09625	4.8
135.08076	0.7
135.10460	1.7
136.07457	0.6
137.05968	6.7
138.09137	1.6
142.07489	0.8
142.08614	6.5
142.12256	1.4
145.04984	1.8
150.96896	1.9
151.97054	0.7
152.10643	4.1
155.07025	14.1
157.10103	0.6
162.09129	0.6
170.06773	0.9
170.11752	15.2
173.08127	7.7
180.10226	4.1
186.48973	0.6
198.11240	100.0
199.09770	0.8
199.11584	2.2
201.05043	1.2
216.12294	47.5
217.08598	1.1
217.10683	4.9
217.12540	1.4
217.15817	0.6
231.34935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1228
Annotation	Fuscoatramide
Peak:m/z	Relative Intensity
53.03939	0.7
55.01866	6.5
55.05507	7.8
55.96869	0.4
56.05015	1.4
56.96568	0.7
57.03443	0.6
58.00216	0.5
59.04984	0.7
60.04512	2.0
62.06084	5.0
67.05504	1.6
68.77127	0.5
69.03419	1.1
69.07059	1.0
69.72839	2.8
70.02940	2.9
70.06583	3.9
71.04993	0.6
71.06945	0.5
71.07338	0.8
72.04531	0.5
72.08144	5.6
73.02502	0.8
73.02911	8.4
73.08486	0.6
74.66693	0.5
79.05484	2.4
81.05847	0.5
81.07047	9.8
82.06586	1.0
83.04974	8.1
83.08602	1.5
84.04511	0.9
84.08141	2.5
85.06535	0.6
85.08489	0.6
86.06059	55.9
86.09682	1.0
87.04465	1.1
88.03983	0.9
89.02402	1.2
89.06001	0.8
90.94751	0.4
91.05469	2.9
93.07040	3.1
95.04972	1.0
95.08610	1.9
96.08124	8.3
97.02877	0.8
97.06532	0.6
98.06060	0.9
98.09686	6.5
99.04436	2.1
100.07605	1.4
101.02374	17.0
101.06005	3.5
105.03369	1.2
105.07014	1.0
107.08599	1.0
108.08099	5.0
109.06509	18.5
110.06068	0.8
110.09675	1.1
111.04437	9.0
111.08070	13.2
112.08417	0.6
113.05994	1.8
114.05544	0.7
114.09176	2.0
116.10722	32.6
116.98620	0.4
118.11001	0.6
120.08098	0.9
121.06464	1.0
121.08858	2.2
122.09642	1.8
124.07591	2.2
124.11215	2.6
126.05480	0.6
126.09137	1.1
127.07528	1.7
129.05486	3.5
131.08546	0.5
133.10049	0.5
134.09630	5.8
135.08028	0.6
135.10425	1.1
136.07614	0.6
137.05963	8.3
137.08368	0.6
138.09122	2.1
142.08615	7.1
142.12256	1.6
143.08574	0.4
144.08090	0.5
145.04970	2.0
150.96861	1.6
151.96979	0.6
152.10698	4.0
155.05757	0.6
155.07016	13.2
162.09174	1.1
168.10170	0.6
168.97241	0.5
170.06776	0.7
170.11743	16.4
173.08093	6.0
180.10184	4.8
198.11238	100.0
199.09685	0.6
199.11525	1.9
216.12292	53.8
217.10669	4.5
217.12556	1.1
217.15839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
53.79391	2.3
55.01857	3.6
55.05506	20.3
56.96565	4.0
62.84713	2.0
63.15422	2.1
65.01109	2.0
65.60296	2.0
67.05178	2.6
67.05499	17.1
69.03436	2.4
69.07060	13.2
69.89907	2.0
70.06563	2.3
70.95854	5.0
71.04986	6.3
71.12036	5.2
72.08131	3.8
72.93776	14.3
74.09695	3.3
76.16022	2.2
77.03941	3.4
79.05502	11.7
81.07050	31.5
83.04980	2.7
83.08612	8.4
85.06530	8.2
86.09691	4.0
88.96914	4.4
90.94825	10.6
91.05471	14.8
93.07036	13.3
95.04977	5.9
95.07999	1.5
95.08601	44.4
97.06526	10.9
97.10183	3.1
99.08074	5.1
101.05940	2.2
103.05485	3.8
105.03399	5.4
105.07029	17.8
107.04947	28.5
107.05609	3.3
107.08582	6.8
109.10123	4.1
115.05453	2.3
116.10741	3.0
117.07005	3.9
119.04901	3.2
119.08584	18.2
121.06528	3.4
121.10130	6.1
123.08092	3.1
126.09161	2.6
128.06224	3.5
129.07027	3.4
131.08557	11.0
132.95827	36.2
133.02852	17.7
133.10089	12.9
135.11710	7.7
137.13254	5.1
141.06961	6.9
145.06474	4.2
145.10167	12.2
149.96112	7.2
149.98482	2.7
150.96877	100.0
155.97482	2.9
157.10107	2.7
159.04388	12.2
159.08076	6.6
159.11679	8.7
161.02328	42.7
161.13240	26.3
167.97156	7.1
168.97937	7.0
169.10185	5.3
173.02333	97.8
173.09554	5.3
173.13304	5.1
173.98543	4.9
179.14310	12.1
185.05872	2.6
186.03065	7.6
187.03819	4.0
187.07559	7.4
187.11218	5.5
187.14763	2.2
191.97141	26.3
197.05992	3.9
197.09596	3.3
197.13216	3.5
200.04669	4.6
209.98125	13.5
211.20877	2.1
214.98911	3.4
215.07005	50.6
215.10458	12.8
215.14182	10.9
215.18076	18.9
216.07407	3.2
238.12924	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	215.016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64967	0.8
55.01854	1.3
55.05501	1.4
56.05024	2.1
56.96338	1.0
56.96565	10.5
57.03411	2.3
58.06594	4.1
60.08144	2.8
61.02921	4.1
67.05467	1.0
68.05033	0.7
69.03410	2.1
69.07053	2.0
70.06236	1.2
70.06587	14.5
70.58822	0.9
70.59187	2.7
70.98106	0.7
71.04976	1.9
72.08150	100.0
72.93780	1.9
73.02886	1.9
74.06054	0.9
74.96913	1.1
74.97602	0.8
76.43637	0.8
81.03397	1.2
82.06544	1.5
84.04484	2.0
84.08134	6.6
84.96059	1.2
85.02907	4.5
86.09693	3.1
88.99149	1.0
90.94804	2.4
97.02872	2.3
98.06037	2.6
98.97572	1.4
100.07597	2.7
101.00865	2.9
105.02081	1.2
110.07128	1.2
110.97614	1.5
112.07568	3.6
113.02377	0.9
114.05526	2.1
116.07083	1.2
116.98589	1.0
119.01908	31.1
120.01994	1.9
121.01604	2.3
121.03436	2.6
122.06276	0.8
127.03931	1.1
128.07063	2.7
128.98596	2.7
129.10138	0.9
131.00137	0.9
131.01895	3.2
131.97345	0.8
132.95822	6.0
133.01599	1.2
133.03452	2.3
133.56061	0.9
135.03169	1.0
137.02940	12.2
137.04623	1.2
142.03357	1.0
144.99820	1.0
145.03438	2.4
146.03592	0.8
146.99631	3.4
147.03200	1.4
147.04985	1.5
149.01170	1.2
149.96091	1.7
150.95673	1.5
150.96873	20.2
151.04408	1.0
152.07042	1.1
155.01993	1.0
156.03615	1.0
156.06548	2.5
157.03476	1.4
160.97546	1.0
161.02905	2.0
163.02637	1.0
163.04518	1.5
165.00784	1.2
165.06062	1.3
167.02191	1.6
167.97220	1.6
168.99817	1.1
173.02916	2.3
175.04485	0.9
177.02402	0.8
179.57571	0.8
187.00854	3.6
187.03018	1.1
187.04509	7.5
189.06108	0.9
190.06201	0.9
190.98610	5.9
191.00214	1.1
191.02258	1.8
191.03990	5.1
191.97154	3.4
204.56964	0.9
205.05534	4.2
208.99712	2.5
209.98187	2.0
215.01715	26.2
215.03973	3.6
215.13896	56.2
233.05045	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	214.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.4
55.05507	3.8
55.05767	0.7
56.05030	0.6
56.96544	1.3
57.03436	0.6
57.07067	1.2
62.06072	1.5
67.05490	1.8
69.03420	0.5
69.07051	2.2
70.06588	2.0
70.92226	0.6
70.92551	0.8
70.95847	0.7
71.04986	0.6
71.07359	0.7
71.08627	17.8
72.08155	4.3
72.93776	1.7
79.05495	1.5
81.07054	5.3
82.06564	0.5
83.08610	0.8
84.04486	0.8
84.08127	4.0
86.06051	6.0
90.94815	2.6
91.05458	0.9
93.07034	1.2
94.06550	0.7
95.04945	0.7
95.07337	0.8
95.08601	4.7
96.08123	7.6
98.06051	4.4
98.09686	4.7
99.08083	6.6
105.03417	0.7
105.07027	0.9
107.04936	0.9
107.08582	1.1
108.08108	4.1
108.95855	0.9
109.10152	0.6
110.09669	1.4
111.04412	0.4
112.07613	1.2
112.11225	0.6
113.08359	0.9
114.09157	0.5
115.05485	0.5
116.10722	36.9
119.08580	0.8
119.89423	0.4
120.08017	0.6
121.08842	0.5
122.09665	4.2
124.07581	1.8
126.09132	1.9
128.06174	0.5
129.06960	0.8
131.08568	0.4
132.95857	3.1
133.02818	1.6
134.09622	0.5
136.11191	1.4
138.09070	0.6
139.09904	0.5
140.10695	1.9
141.06972	1.1
142.12302	0.5
143.10658	4.4
149.96091	0.7
150.12746	1.1
150.96869	14.3
152.14322	0.5
154.15889	7.1
155.97366	0.5
159.04408	1.2
161.02321	4.4
164.14313	1.9
166.15923	6.8
167.97188	1.9
168.17509	2.0
168.97803	0.7
170.15346	0.8
173.02328	14.4
173.98497	1.1
178.15881	2.3
186.03120	1.0
187.03969	0.6
187.07483	0.5
191.97145	2.7
191.99300	0.5
196.16953	14.8
198.53812	0.4
206.45235	0.4
209.98178	2.5
214.18008	100.0
215.07007	5.7
215.10587	0.6
215.14444	0.6
215.18280	1.9
219.99387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70080	1.3
53.03952	4.3
55.01868	2.5
55.05511	19.4
56.05027	5.7
56.05851	1.9
56.25553	1.2
56.96562	55.8
57.03434	6.2
57.07084	1.9
58.06586	2.7
59.04998	1.5
59.14981	1.3
60.04523	1.8
60.05629	1.7
60.08170	1.5
60.17237	1.5
61.02922	8.2
67.04233	1.4
67.05508	3.0
68.05031	3.0
69.03427	12.6
69.07056	4.1
70.02954	2.4
70.06588	32.2
70.95861	4.5
71.05000	6.9
71.06918	9.3
71.59073	1.5
71.93057	1.6
72.08150	12.8
72.93779	22.6
73.02917	8.5
73.06552	16.9
74.00648	2.0
74.06102	2.2
74.97592	1.6
79.05481	3.1
81.03412	4.5
81.07052	2.4
82.06578	4.7
83.00812	2.5
83.04977	3.2
83.06106	2.7
84.04510	6.4
84.08137	24.9
84.96026	1.9
85.02907	11.8
85.06532	1.4
86.09695	7.3
87.04456	4.1
88.07600	2.5
88.96898	2.2
90.94829	15.7
91.03944	1.5
92.03091	1.7
92.98660	2.0
95.04943	6.1
95.06098	3.0
96.01536	1.8
96.04474	2.0
96.08125	1.9
97.02339	2.8
97.02894	12.8
97.06550	3.2
98.06039	2.1
98.97571	18.6
99.04431	3.5
100.02191	7.5
100.07597	2.2
100.99168	1.5
101.02540	7.4
102.03812	2.1
102.05515	1.4
104.01278	2.2
104.96361	1.3
106.02834	10.2
108.95871	7.7
109.02895	3.6
110.01309	1.4
110.06085	1.7
110.07172	9.0
111.02039	1.7
111.03861	2.2
111.05587	2.0
112.99144	6.4
113.03650	3.5
113.96413	4.5
115.03370	5.9
115.08692	3.9
116.00291	1.8
116.03094	1.8
116.07088	6.4
116.98618	14.9
117.01961	1.7
117.03868	2.2
118.02821	4.5
118.03563	2.0
118.08657	3.6
119.00166	5.8
119.01920	7.3
120.98048	1.5
121.01589	1.7
124.04623	1.7
125.03641	2.7
125.05962	1.5
127.03240	1.9
127.04082	2.0
127.08701	4.3
128.02312	3.6
128.98611	4.8
129.06772	1.6
129.10225	4.0
130.04993	1.5
131.00177	18.3
131.97435	13.1
132.95822	23.6
133.03369	5.2
133.05176	3.6
134.01256	3.0
134.99669	16.5
136.07535	3.3
136.91893	1.4
137.02922	2.6
138.06578	2.0
139.03328	4.0
140.02367	2.8
140.07112	1.8
141.00058	3.5
142.03946	3.3
142.05769	3.9
143.08110	1.7
145.01720	2.6
146.04141	3.1
146.99623	10.6
147.03284	7.1
148.03838	8.5
149.01201	22.5
149.96100	5.8
149.98511	4.0
150.09131	3.4
150.96880	100.0
152.07063	1.5
153.00728	1.9
154.05730	2.3
155.04637	63.1
155.08145	3.4
155.54799	6.8
155.97400	2.7
158.99683	10.5
160.03932	3.7
160.07613	3.1
161.01233	2.3
162.96896	2.5
162.99158	4.8
163.02786	3.1
163.06192	2.2
164.05151	30.2
164.55371	2.8
165.00710	9.3
165.04311	6.8
166.08636	3.2
166.55446	8.8
167.02254	3.5
167.97130	10.8
168.06586	1.9
168.10246	2.2
168.97974	6.0
169.04411	16.3
172.02834	2.3
173.98494	5.4
175.02777	3.1
177.00706	15.2
178.04932	7.7
178.08658	6.4
181.00102	1.7
183.01978	1.7
189.55632	2.4
190.96910	1.6
190.98553	8.7
191.03554	2.5
191.97171	21.8
191.98920	2.4
193.03792	6.8
196.09612	7.0
197.10368	6.3
203.05923	2.9
205.07285	3.0
208.99770	5.1
209.03166	2.3
209.98212	17.5
211.04951	6.0
214.07764	25.9
214.10672	8.1
214.12593	2.2
214.14409	5.5
214.21704	3.6
214.58047	3.2
219.01736	2.3
221.06987	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	213.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16516	1.2
53.03942	2.0
55.05494	5.8
56.96549	3.4
57.03456	1.3
57.07053	3.7
67.05488	2.9
69.07063	12.7
70.06556	1.2
71.04974	1.9
71.60684	2.0
79.05479	6.0
81.07034	4.1
83.08601	4.1
84.08107	1.2
88.07631	2.5
90.90401	1.7
91.05473	11.6
93.07042	12.3
95.04916	1.8
95.08607	4.1
97.06512	1.6
97.10137	1.4
105.07020	20.0
107.08600	16.4
109.10155	1.5
115.05442	1.5
119.08577	26.5
121.10142	5.5
128.06204	9.0
129.06990	8.2
130.96272	2.3
131.08582	2.9
133.10107	8.7
141.07002	4.9
142.07776	19.3
143.08556	29.2
145.10103	5.2
148.97328	5.1
149.94020	5.0
155.08513	6.5
156.09328	16.9
157.10117	55.8
158.10936	2.6
159.11647	3.6
169.10139	4.3
170.10924	5.2
171.11682	38.2
172.12239	1.7
172.59770	2.3
183.11685	12.9
184.12434	3.3
185.13199	7.8
190.60890	17.9
195.11571	1.9
198.09978	1.5
198.14021	11.6
199.61375	4.0
202.11702	5.0
213.12769	6.0
213.16367	100.0
214.16687	1.4
231.36925	1.3
234.39771	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	213.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01852	0.5
55.05503	3.9
56.96561	5.1
57.07069	4.4
63.21708	0.7
65.03923	0.6
67.05503	2.7
69.03423	1.5
69.07059	8.4
70.06572	0.7
71.60180	0.8
72.93776	0.5
73.27094	0.6
79.05483	6.0
81.07045	3.3
83.08612	3.3
87.62484	0.5
88.07623	1.4
90.90374	1.7
90.94808	0.8
91.05473	8.4
93.07039	7.5
95.04971	1.5
95.08598	3.2
97.06502	1.2
97.10144	0.7
103.05442	1.6
105.07024	54.8
106.07320	1.0
107.00085	0.5
107.08566	6.6
109.06521	0.7
109.10106	0.6
115.05448	1.6
117.07015	4.5
118.04806	0.5
119.08572	42.3
119.55804	0.5
120.08916	0.7
121.06494	0.5
121.10136	10.4
123.08038	0.7
125.09613	0.6
128.06212	10.6
129.06999	10.0
130.07745	0.6
130.96275	0.7
131.00197	0.7
131.08572	3.2
133.10123	5.7
134.99586	0.6
141.06961	3.4
142.07770	17.0
143.08549	52.5
145.06474	0.9
145.10094	4.6
146.99632	1.0
148.97281	3.0
149.01225	0.7
149.94037	3.9
155.08527	3.3
156.09338	16.6
157.10118	53.4
158.10837	1.1
159.11690	1.3
167.02283	0.5
167.95177	0.5
167.97134	0.9
169.10086	4.4
170.10927	4.0
171.11682	44.4
172.12106	1.5
176.09453	0.5
183.11665	5.7
184.12425	2.5
185.09987	1.4
185.13261	7.2
192.10869	0.6
195.11662	1.1
197.13287	0.6
198.10211	0.8
198.14037	5.4
199.14786	1.1
201.11365	0.7
213.10103	1.8
213.12825	3.7
213.16373	100.0
214.16765	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	213.1483
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03944	1.6
55.01867	17.0
55.05505	76.4
56.05820	0.7
56.18322	0.5
56.96570	1.3
57.03423	1.9
57.07071	1.6
59.04992	2.8
67.05497	28.7
68.45763	0.6
69.03421	8.2
69.07059	15.4
69.64083	2.3
69.64487	1.4
70.06584	0.8
71.04986	69.1
79.05487	21.8
79.48024	0.6
81.03406	2.3
81.07049	31.6
82.07454	0.6
82.66349	0.5
83.04973	5.5
83.08609	44.3
85.02903	0.9
85.06541	7.1
87.04459	10.2
91.05469	9.3
93.07036	19.3
93.07620	1.1
95.04956	2.3
95.08597	10.9
97.06521	100.0
97.10157	64.5
98.06875	0.8
98.97598	0.8
99.04455	0.6
99.08064	1.1
101.06003	0.8
101.09654	2.4
105.06978	3.0
107.08584	21.6
109.02888	0.8
109.06511	2.5
109.10147	16.8
111.08076	3.0
113.05969	1.5
117.07013	4.2
119.08559	1.8
121.06484	2.5
121.10141	3.5
123.11674	0.7
125.09615	40.6
126.09975	0.7
127.03902	0.9
127.07590	0.8
128.79431	0.6
129.06960	0.8
131.08521	4.7
133.10097	4.3
135.08040	7.1
135.11691	5.5
135.93944	0.5
142.07771	1.1
143.08499	1.2
143.10672	1.7
145.10126	0.6
147.11655	1.5
148.97343	0.8
149.09660	0.9
149.13223	4.5
151.11160	0.6
153.09085	2.4
156.09352	0.7
156.15585	0.6
157.10104	1.7
159.11650	4.5
165.12659	1.1
167.14354	1.2
169.25575	0.6
171.11665	1.6
177.12735	7.8
185.09612	0.8
185.13142	0.7
189.11183	9.8
195.13783	42.5
196.14055	0.9
213.09167	1.6
213.14816	98.5
214.15216	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	213.1483
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.57329	1.0
55.05255	1.8
55.05508	20.7
56.96575	2.1
57.03415	1.3
57.07071	12.2
65.79446	1.1
67.05506	6.1
67.61211	1.1
69.03445	1.8
69.07065	5.1
71.04977	2.6
71.60535	1.9
72.93777	1.3
79.05498	6.4
80.70022	1.1
81.07057	7.4
83.04974	10.4
83.08611	2.0
85.06547	4.6
85.55502	1.2
88.07619	1.7
90.90401	2.9
90.94802	1.1
91.05466	4.7
93.07029	15.1
95.04962	3.5
95.08598	11.5
97.06525	7.2
100.31848	1.2
105.07024	6.5
107.04967	1.7
107.08588	26.4
109.06527	3.7
109.10165	3.2
111.04436	100.0
111.08083	4.1
113.06069	1.9
115.62653	1.1
117.07024	2.3
119.08581	2.8
121.06496	5.0
121.10134	4.1
123.08076	1.8
125.05978	30.4
125.06836	1.9
125.09599	1.4
127.07562	3.1
129.07004	2.0
130.07817	2.0
130.96307	1.2
135.08049	16.9
135.11678	25.3
135.12695	1.6
137.13246	2.1
139.07532	4.5
141.06976	1.4
143.08592	2.0
145.10103	20.0
148.97356	3.6
149.94077	3.4
153.05510	1.3
153.12756	4.7
156.09358	1.4
157.10135	5.3
157.30946	1.1
163.11172	22.2
170.10727	1.1
171.08020	1.8
171.11676	3.1
181.12222	39.3
191.17052	1.2
195.11700	1.4
195.13791	4.5
197.57184	1.2
213.12746	4.9
213.14462	1.2
213.16429	6.2
213.18254	1.6
219.18451	1.0
222.63737	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	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
51.60659	0.7
53.03923	1.4
55.01857	1.6
55.05275	0.6
55.05505	4.7
56.96561	9.5
57.03409	2.1
57.07048	1.0
58.06578	1.1
59.04981	2.0
61.02913	0.7
61.46119	0.6
65.03905	0.7
67.05489	4.9
69.03419	3.3
69.07047	2.3
70.06587	16.7
70.94246	0.6
71.04964	1.9
71.19791	1.3
71.20129	1.2
72.08150	3.6
72.93770	1.0
73.02888	1.3
75.02287	0.6
75.38663	0.6
77.18459	0.6
79.05061	0.9
79.05490	14.2
81.03407	3.2
81.07058	6.5
83.04958	1.1
84.08127	1.1
85.02883	2.2
85.06524	1.7
86.09708	8.9
87.04443	2.1
88.95278	0.7
91.05476	29.4
91.39506	0.6
92.05828	1.1
93.06464	1.0
93.07031	17.2
95.04957	4.2
95.08601	3.9
97.02870	3.0
97.06491	0.9
98.06065	0.8
98.97572	12.2
99.04448	1.5
103.05447	2.2
105.03415	1.0
105.07021	21.3
107.04906	2.0
107.08585	77.0
108.08943	1.0
109.02849	2.5
109.06503	8.2
109.10108	3.6
110.03632	0.8
111.04426	1.1
111.08067	2.5
115.05439	1.1
116.06215	1.7
116.07069	2.2
116.98611	8.3
117.07018	3.5
119.04970	3.8
119.06061	0.9
119.08574	29.3
121.06520	3.7
121.10134	38.1
123.07310	0.9
123.08072	10.7
123.11691	0.7
125.09645	3.2
127.03912	5.3
127.07535	2.2
128.06163	1.1
129.06946	1.6
130.96289	0.9
131.08565	16.9
133.06448	2.0
133.07452	0.6
133.10124	4.3
134.99660	6.1
135.04370	1.7
135.07106	1.1
135.08047	17.6
135.11592	1.2
136.08499	1.0
137.05939	1.0
137.09587	1.3
139.11089	1.3
141.07037	0.8
141.79779	0.6
143.08511	1.1
144.08096	0.9
146.99594	1.2
147.08031	15.8
147.11613	1.0
148.97336	5.6
149.01158	1.9
149.09608	34.8
151.07541	3.1
151.11172	2.5
153.00725	1.1
153.01990	0.9
153.05510	1.5
153.09085	7.7
157.10078	1.2
158.91792	0.8
158.99611	2.2
159.08044	5.1
161.01152	1.6
165.09102	9.9
165.97527	1.0
167.06984	1.5
167.08469	1.2
167.10640	5.7
171.11644	1.1
172.02927	0.7
177.00723	5.9
177.09094	36.6
177.12570	1.0
178.09370	0.7
180.07292	0.7
183.06615	1.3
184.05615	2.8
185.07104	0.9
186.99055	1.3
189.00748	1.0
189.12717	0.9
189.97705	1.0
192.07126	0.8
193.06192	2.5
195.01878	0.7
195.10194	7.7
207.98659	0.8
213.11183	100.0
214.11493	2.2
223.06445	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	213.0909
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
51.02383	0.3
53.03941	0.4
55.01858	1.1
55.05496	0.9
56.96556	1.2
57.07080	0.3
65.03928	2.5
65.90588	0.2
67.05497	1.4
69.03416	1.4
69.07072	1.8
70.06582	1.9
71.04976	0.4
71.60077	0.3
72.08147	0.4
79.05490	1.2
81.03398	0.6
81.07045	1.0
83.04961	0.5
83.08569	0.3
85.06520	0.3
88.07636	0.4
91.05471	94.5
91.25002	0.3
92.05802	1.2
93.07026	0.7
95.04962	4.7
95.08583	1.3
97.06512	0.3
97.10110	0.3
99.04476	0.4
99.08074	0.4
105.03381	1.0
105.07034	0.9
107.04944	10.1
107.08554	1.3
108.54091	0.2
109.02847	0.3
109.10123	0.4
111.04438	0.3
113.09592	0.3
115.05437	0.5
116.98547	0.4
117.07003	0.4
119.04929	100.0
120.05748	9.7
121.02876	1.8
121.06588	0.3
121.10117	1.1
127.03908	0.7
128.06209	1.0
129.06989	1.4
130.96298	0.3
131.08549	0.4
133.10132	0.4
134.99586	0.3
135.11661	0.5
141.06978	1.0
142.07762	1.4
143.08598	1.7
144.05702	0.7
145.06451	0.7
148.97346	0.9
149.09616	0.4
152.06198	6.5
153.07010	0.7
153.09077	0.7
154.06265	0.3
155.08517	0.7
156.09335	0.8
157.06522	2.2
157.10110	2.6
165.06981	6.4
165.08301	0.5
166.07774	2.1
167.07083	0.6
167.08537	9.1
169.06487	1.2
170.07205	0.7
171.08051	1.5
171.11682	2.6
176.06192	3.7
177.06972	6.3
177.08788	0.3
177.09105	0.3
177.16380	0.5
180.09315	0.5
181.06493	0.7
183.08014	1.3
185.09631	2.1
185.13255	0.5
189.97699	0.5
194.07306	1.0
195.08038	7.2
195.09836	0.3
195.11659	0.3
196.08589	0.4
197.05959	0.7
197.09621	0.8
198.06638	1.8
198.10335	1.9
211.07407	0.3
212.08305	0.4
213.05580	1.1
213.09088	19.5
213.12654	7.5
213.16316	3.6
213.18378	0.5
226.17790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0909
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
51.02371	0.4
53.03937	0.6
55.01863	0.8
55.05515	1.0
56.96566	2.0
57.07080	0.3
59.04985	0.5
65.03931	2.6
67.05502	1.1
67.61539	0.2
68.99794	0.2
69.03423	1.6
69.07060	1.0
69.35120	1.0
69.35548	1.0
70.06586	7.5
70.94206	0.3
71.04987	0.7
72.08154	1.2
73.02914	0.3
79.05476	1.7
81.03399	0.6
81.07059	1.4
83.04977	0.6
83.08607	0.3
84.96029	0.3
85.02900	0.6
85.06548	0.3
86.06052	1.0
86.09703	0.9
88.07640	0.3
91.05473	86.8
92.05800	1.0
93.07036	1.9
94.06561	1.1
95.04964	5.0
95.06911	0.5
95.08607	1.4
97.02883	0.3
97.06515	0.3
97.10132	0.3
98.97578	2.0
99.04443	0.5
100.07603	0.4
103.05443	0.3
105.03379	3.2
105.04530	0.3
105.07014	1.9
107.04948	9.7
107.08584	3.1
109.02843	0.4
109.06509	0.5
109.10137	0.5
110.07150	0.3
110.81656	0.2
111.04468	0.5
113.09666	0.3
116.07092	1.0
116.98615	1.9
119.04933	100.0
119.08606	0.7
120.05740	8.4
120.06433	0.8
121.02840	1.8
121.06489	0.5
121.10130	5.2
123.08072	2.7
123.11725	0.4
125.09605	0.5
127.03908	0.6
128.06229	0.3
129.07002	0.8
131.04968	0.2
131.08594	0.7
133.06607	0.2
133.10153	0.4
134.99626	1.1
135.08058	0.5
135.11674	0.6
137.43567	0.2
139.07590	0.3
141.05656	0.4
141.06982	0.8
142.07808	0.7
143.08531	0.4
144.05705	0.7
144.08061	0.2
145.06491	0.9
146.99667	0.3
148.97350	1.0
149.09605	3.6
152.06189	6.4
153.07068	0.4
157.06490	1.8
157.10089	1.0
158.99669	0.5
165.06979	5.8
165.08287	0.4
166.07758	2.2
167.07233	0.3
167.08546	8.0
167.10709	0.9
169.06439	1.5
169.08600	1.7
170.07260	0.7
171.04301	0.3
171.06696	0.3
171.08046	0.6
171.11653	0.5
175.02803	0.3
176.06206	2.7
176.50526	0.2
177.00670	1.0
177.05434	0.3
177.06984	5.7
177.09097	4.3
178.07643	0.5
181.06445	0.7
183.07999	0.5
185.09676	1.4
186.99168	0.6
189.00723	0.4
194.07256	1.2
195.08060	6.9
195.10112	1.6
195.11836	0.4
196.09554	0.4
197.05954	0.6
198.06740	1.3
211.07639	0.4
213.09093	20.7
213.11446	1.8
213.12555	3.2
213.16315	0.7
214.03868	0.3
214.09421	0.6
219.01811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0909
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
53.03939	0.8
55.01875	1.2
55.05498	2.3
56.96558	7.5
57.03427	1.1
57.07079	0.8
57.63730	0.3
65.03938	2.6
67.05499	2.1
69.03413	2.2
69.07066	1.7
70.06586	16.8
70.16173	1.5
71.04981	1.2
71.95278	0.4
72.08148	1.2
72.93803	0.6
73.02911	1.3
76.88464	0.3
79.05495	1.7
81.03401	1.5
81.07032	2.8
83.04951	0.8
83.08606	0.7
83.90305	0.3
84.04523	0.3
84.08126	0.5
84.96033	0.7
85.02892	0.7
85.06534	0.6
86.06047	0.8
86.09701	1.3
88.07628	0.9
88.95284	0.4
91.05470	100.0
92.05804	2.6
93.07029	2.0
95.04964	4.3
95.08595	2.0
97.02893	2.0
97.06520	1.1
97.10154	0.4
98.97570	4.8
99.04440	0.8
99.08087	0.4
101.06125	0.3
103.05421	0.5
105.02029	0.5
105.03398	0.8
105.07015	1.7
107.04939	7.7
107.08582	1.9
109.02867	1.0
109.06518	0.8
109.10121	1.1
110.07103	0.3
111.04395	0.6
111.08060	1.0
112.99097	0.6
115.03889	0.4
116.07076	2.5
116.98618	5.2
117.07035	0.8
119.04928	80.5
119.08575	1.8
120.05749	7.4
121.02837	2.4
121.06471	1.1
121.10115	1.6
123.04441	0.4
123.08052	1.4
125.05894	0.5
125.09603	0.6
127.03904	2.0
128.06210	1.2
128.98567	0.7
129.07002	1.9
130.96240	0.6
131.00177	1.6
131.01703	0.4
131.04912	0.4
131.08519	1.0
133.10101	0.7
134.99649	4.1
135.08046	2.3
135.11674	0.7
137.05942	0.5
141.06938	0.7
142.06709	0.4
142.07755	1.2
143.03587	0.8
143.08537	1.4
144.05670	0.8
145.06429	0.8
145.10106	0.4
146.03108	0.3
146.99620	1.5
147.07996	0.6
147.11659	0.5
148.97372	2.9
149.01205	5.5
149.09576	0.7
149.13240	0.6
151.04042	0.4
152.04131	0.6
152.06192	5.5
153.00636	0.6
153.06908	0.6
155.08447	0.4
156.09364	0.5
157.06461	1.9
157.10123	2.4
158.99620	1.4
159.46016	0.3
161.01208	0.8
161.13219	0.6
163.02553	0.8
164.04086	1.4
165.00745	0.6
165.06985	4.9
166.07755	1.9
167.02264	2.5
167.07092	0.6
167.08537	7.6
167.10641	0.6
168.98032	0.5
169.06447	1.0
170.07249	0.9
171.07997	1.0
171.11670	1.3
172.03049	1.2
173.01234	0.8
176.06168	2.1
177.00743	2.4
177.06976	5.0
177.08565	0.6
177.09096	0.7
177.12822	0.5
181.06367	0.5
183.07993	1.1
185.07195	0.8
185.09579	2.5
185.13214	0.5
186.99086	1.6
189.00702	0.7
189.12654	0.7
189.97574	1.0
191.02200	1.2
194.07227	0.8
195.07918	6.2
195.09496	0.4
195.13663	0.4
198.06641	1.8
200.02278	0.5
203.02264	0.4
205.00172	1.3
207.98700	0.5
211.02655	0.6
213.03864	0.8
213.09027	15.8
213.12201	2.9
213.16434	2.9
213.18393	0.6
219.01698	0.6
221.03300	0.4
229.03792	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	213.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.8
55.01862	4.8
55.05499	3.2
56.96561	48.7
57.03431	16.6
60.04517	1.5
61.02924	36.3
62.03239	1.8
68.05026	1.9
69.03426	12.4
69.07060	1.5
70.06586	100.0
70.98129	1.9
71.01327	1.0
71.04971	4.1
71.59019	1.6
71.95255	3.7
72.04499	1.3
72.08150	4.9
73.02913	21.6
74.03224	0.9
74.97592	2.5
75.04468	1.4
77.00824	1.4
81.03409	4.1
83.00777	3.2
83.04973	2.7
83.06086	1.3
84.01555	1.1
84.04485	2.1
84.08138	6.8
84.96017	3.6
85.02898	23.5
85.08539	1.1
86.03687	1.4
86.09700	7.7
87.00916	1.2
87.04467	1.2
88.99143	1.3
89.00771	3.0
90.01532	2.2
92.01283	3.6
93.19124	1.0
94.06563	1.1
95.01315	1.5
95.04955	1.4
96.01531	2.7
97.00426	1.4
97.02345	1.7
97.02897	12.4
97.96763	1.2
98.01273	3.6
98.03192	1.3
98.97572	33.3
99.02047	3.2
99.04440	3.8
101.00838	3.1
101.02398	1.2
101.06004	1.0
102.05514	1.2
102.97022	1.4
103.02342	1.2
104.01282	3.7
105.00355	0.9
105.02063	2.3
106.02831	1.4
107.00172	1.6
107.01796	3.6
107.04973	1.2
109.02858	2.6
110.01260	6.4
110.07160	5.4
110.97562	3.0
111.00240	1.4
111.02911	1.2
111.04473	1.1
111.05539	1.4
112.07555	1.5
112.11242	2.4
112.99149	2.1
113.00900	1.5
113.02342	2.9
114.02482	1.6
115.02245	1.1
115.03327	1.1
116.01271	1.4
116.07085	14.3
116.98611	32.8
117.02051	1.9
117.02937	1.6
118.01033	2.4
119.00164	2.1
119.01833	29.2
120.02003	1.7
120.97945	1.3
121.01634	2.2
123.00228	1.2
124.95436	2.2
125.01746	2.1
125.05968	1.2
125.06984	1.2
126.00719	1.1
126.02525	2.3
127.01543	1.9
127.03906	7.6
128.02306	42.6
128.52522	1.9
128.98595	9.9
129.03033	1.9
129.03920	1.0
130.01035	1.3
130.52617	1.0
131.00159	6.1
131.01889	11.2
131.02725	1.7
132.00737	1.6
133.01569	5.0
133.03410	5.0
134.03554	1.4
134.05997	2.1
134.99651	25.9
135.03036	4.5
136.07576	1.3
137.02827	27.8
137.52989	1.7
139.01573	1.1
139.53076	3.5
140.02307	1.2
140.98595	2.0
141.01276	2.6
141.03064	1.6
142.02052	1.8
142.96515	4.2
143.00148	3.2
143.01878	4.7
144.03647	2.1
144.52475	1.1
145.01653	2.5
145.03470	3.7
145.04996	1.0
146.03391	1.7
146.99632	18.1
147.01320	2.5
147.03133	1.9
147.04977	2.6
148.04916	1.1
149.01212	6.0
149.02925	3.1
150.01810	2.0
150.03633	1.3
151.04512	2.1
152.03276	1.7
152.06989	3.1
153.00719	3.9
154.53642	2.1
156.01784	1.2
157.03535	2.0
158.99643	6.8
159.01199	0.9
159.05118	1.1
159.06828	1.7
160.01828	1.2
160.04393	1.4
160.97607	5.8
161.01328	4.8
161.02803	5.7
162.01779	3.4
162.03043	1.5
162.99124	3.7
163.02730	2.1
163.04433	1.6
165.00713	9.6
167.07973	1.4
168.01830	1.6
169.02577	2.6
170.99631	4.9
171.01169	2.0
173.01358	2.0
173.02979	5.1
174.01781	2.0
174.99126	3.0
175.02722	2.2
175.04527	1.6
177.00688	6.0
177.02344	5.0
177.04344	1.0
177.06133	1.3
177.07802	1.4
178.98633	1.3
179.02231	2.2
181.02432	1.0
183.02325	5.0
183.04961	2.5
184.04741	1.2
184.97580	2.2
185.02939	3.1
186.99208	1.5
187.04466	1.6
188.02245	1.0
188.97011	3.4
189.00743	13.0
189.02347	1.7
189.06091	2.6
190.98592	3.4
192.02800	2.1
193.00188	6.0
193.03781	2.1
195.07098	1.2
201.00682	3.0
202.98682	4.9
203.03934	1.3
204.05721	1.0
205.00194	3.8
206.98164	4.4
207.01756	6.6
208.99696	1.9
211.01237	1.5
211.04796	1.5
213.05798	2.2
213.08112	3.8
213.10446	1.8
213.12328	14.8
213.15829	1.7
215.04082	1.2
217.00214	2.6
219.01868	5.1
219.07135	2.2
220.99738	1.8
223.01274	1.3
230.98088	3.9
231.03526	1.8
231.09039	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	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03905	1.9
55.01858	1.7
55.05508	22.8
56.96560	1.2
57.03422	3.7
57.07061	3.4
59.04970	3.1
65.03943	1.2
67.05499	35.1
69.03425	12.2
69.07059	17.2
69.47803	9.0
71.04990	5.8
71.08618	1.7
79.05473	8.6
81.03426	8.3
81.07048	33.4
83.04977	16.7
83.08614	12.9
85.06530	4.8
88.02447	1.3
91.05455	7.0
93.07034	14.6
95.04969	6.5
95.08600	44.2
95.56847	1.3
97.06490	2.1
97.10172	2.8
99.08060	3.9
100.26643	1.2
105.07013	10.2
107.04987	1.2
107.08585	29.9
109.06500	14.5
109.10151	100.0
111.08073	4.5
113.09657	2.5
119.08574	22.4
121.10136	12.0
123.08052	13.2
123.11708	8.3
125.09613	3.3
129.06996	2.3
133.10121	23.2
135.11685	60.3
136.12041	1.8
137.09601	18.3
147.11670	3.4
149.13203	6.3
151.11201	10.2
151.14809	9.1
153.12743	4.0
157.10088	1.6
165.16362	2.1
175.11273	1.2
175.14830	17.4
193.12225	2.9
193.15880	17.7
205.98749	2.2
211.08746	1.7
211.11330	1.3
211.13223	1.4
211.16899	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03930	4.1
55.01849	4.1
55.05510	35.1
56.96553	4.6
57.03439	14.8
57.07077	5.9
59.05016	1.6
65.03925	2.7
67.05505	48.0
67.05869	2.3
69.03428	6.2
69.06721	1.6
69.07068	22.9
69.60271	7.3
70.07390	1.3
71.05000	8.5
71.08614	2.1
77.03909	1.2
79.05492	20.7
79.39191	1.0
81.03415	35.8
81.07055	46.8
83.04977	25.8
83.08621	24.3
84.08158	2.2
85.06550	7.2
91.05473	20.5
91.35844	0.8
93.07043	28.1
95.04967	20.1
95.08604	61.2
97.02911	1.2
97.06538	12.6
97.10174	7.8
99.04427	1.3
99.08065	3.9
105.06363	1.8
105.07028	19.6
107.04947	2.8
107.07853	1.9
107.08587	35.1
109.06522	18.0
109.10154	100.0
111.04413	1.5
111.08077	42.7
113.06003	3.5
113.09615	1.3
117.07015	2.4
119.08575	49.0
121.06460	1.2
121.10149	30.7
121.11023	2.2
122.07307	2.1
123.04379	1.3
123.08065	47.0
123.11708	17.6
125.09618	6.9
127.07578	1.8
127.11189	3.4
129.06989	4.3
131.08592	5.3
133.06509	2.0
133.10132	40.9
135.11691	46.6
137.09612	96.1
137.13232	6.8
138.10423	8.8
139.11176	5.3
141.07011	1.0
144.08096	5.7
145.10114	2.2
145.96654	1.3
147.08083	1.5
147.11674	15.5
149.09601	4.2
149.13254	13.9
151.07475	1.1
151.11186	6.7
151.14801	8.8
153.06906	1.2
155.62959	0.9
157.10115	5.1
163.11153	3.5
163.97687	2.0
165.11467	1.5
165.12772	11.6
165.16350	4.2
167.10667	1.2
169.07613	2.1
169.10114	4.6
173.13184	1.0
173.95587	0.9
175.11266	7.1
175.14813	50.7
178.13557	1.2
181.10123	1.3
182.10849	1.1
183.11745	1.2
184.09692	3.1
193.07626	2.2
193.12244	15.5
193.15872	29.9
196.12454	1.2
205.98773	3.9
211.08856	6.3
211.11183	2.8
211.13268	5.3
211.14850	5.0
211.16924	18.5
212.09137	2.8
212.16508	2.5
217.07356	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	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03926	0.8
55.01863	1.0
55.05505	13.7
57.03420	1.8
57.07075	3.8
59.04986	2.7
62.67548	0.6
65.03931	1.5
67.05500	31.1
69.03421	10.0
69.07061	17.6
71.04982	4.6
71.08631	0.9
71.39584	0.8
71.39919	0.9
79.05485	6.1
81.03407	2.7
81.07050	28.1
83.04973	13.2
83.08613	9.5
85.06542	3.9
91.05477	4.7
93.07035	12.2
95.04944	3.7
95.08598	37.9
97.06522	2.7
97.10154	2.7
99.08054	3.8
105.07028	9.1
107.07854	1.3
107.08583	26.9
109.06510	12.9
109.10146	100.0
110.10471	1.5
111.08089	4.5
111.11737	0.6
113.09653	1.8
117.06985	1.2
119.08573	24.0
121.10134	10.1
123.08055	14.7
123.11691	9.6
125.09631	1.2
127.11185	0.9
131.08617	0.8
133.09125	0.7
133.10124	21.2
135.11679	63.0
136.11966	0.9
137.09604	16.9
139.11172	2.9
147.11685	1.5
149.13255	6.3
151.11174	11.5
151.14799	11.7
152.35721	0.6
153.12753	2.2
154.07686	0.7
155.08495	0.7
157.10133	0.8
165.16409	3.7
175.14810	18.2
193.12257	1.0
193.15860	17.2
211.16953	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	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03916	2.1
55.01620	1.1
55.01867	19.2
55.05505	30.9
56.96546	3.9
57.03438	7.0
57.07071	5.7
59.04987	2.3
65.03925	3.4
67.05497	54.2
69.03424	14.8
69.07062	25.2
70.06585	1.3
71.04984	11.6
71.59995	1.4
72.93773	0.9
77.03909	1.1
79.05485	28.3
79.65367	0.8
79.86641	0.8
81.02924	1.1
81.03411	36.8
81.07050	69.3
83.04975	29.9
83.08611	20.4
84.08130	1.5
85.02865	1.6
85.06119	1.0
85.06534	9.3
85.94593	1.0
87.04463	1.5
87.08076	1.0
91.05473	35.0
93.07034	26.0
95.04965	19.5
95.08598	47.4
97.02877	1.5
97.06523	62.4
97.10150	4.8
98.97559	1.0
99.04465	2.2
99.08075	6.7
103.05436	1.7
105.03377	1.1
105.07023	35.1
106.07337	1.1
107.04953	2.8
107.07859	2.2
107.08583	32.6
109.06517	19.1
109.10146	100.0
110.10458	1.7
111.04433	2.5
111.08065	8.4
113.05991	2.2
113.09629	2.1
117.06987	2.2
119.08569	47.8
121.06472	1.4
121.10134	21.1
123.04360	1.1
123.08061	16.7
123.11712	18.3
125.09592	3.8
127.07546	1.6
127.11208	1.2
128.00742	1.9
129.07001	8.5
131.08540	7.8
133.06462	2.7
133.10118	29.6
135.08043	1.8
135.11682	59.9
137.05991	1.4
137.09595	20.8
137.13199	1.1
139.11177	3.1
140.48915	0.9
142.07771	2.8
145.10144	2.2
146.05992	1.4
146.97395	1.1
147.08046	1.6
147.11676	33.7
149.09621	5.6
149.13275	6.2
151.07530	1.5
151.11162	13.1
151.14801	11.6
153.12733	3.0
155.08490	1.8
157.10121	10.0
163.97682	6.1
164.98241	0.9
165.06895	0.9
165.09093	1.3
165.12793	7.4
165.16376	2.4
168.07320	1.1
175.11182	14.4
175.14807	17.4
178.05170	2.9
181.98740	3.5
183.08104	1.0
183.11711	1.4
193.12247	13.9
193.15877	16.1
196.12520	1.3
205.98747	8.2
206.98874	1.1
210.04326	1.5
211.07559	3.5
211.11441	1.8
211.13264	13.0
211.14883	1.9
211.16852	3.0
212.16306	1.1
217.71851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01863	1.0
55.05505	13.7
57.03420	1.8
57.07075	3.8
59.04986	2.7
62.67548	0.6
65.03931	1.5
67.05500	31.1
69.03421	10.0
69.07061	17.6
71.04982	4.6
71.08631	0.9
71.39584	0.8
71.39919	0.9
79.05485	6.1
81.03407	2.7
81.07050	28.1
83.04973	13.2
83.08613	9.5
85.06542	3.9
91.05477	4.7
93.07035	12.2
95.04944	3.7
95.08598	37.9
97.06522	2.7
97.10154	2.7
99.08054	3.8
105.07028	9.1
107.07854	1.3
107.08583	26.9
109.06510	12.9
109.10146	100.0
110.10471	1.5
111.08089	4.5
111.11737	0.6
113.09653	1.8
117.06985	1.2
119.08573	24.0
121.10134	10.1
123.08055	14.7
123.11691	9.6
125.09631	1.2
127.11185	0.9
131.08617	0.8
133.09125	0.7
133.10124	21.2
135.11679	63.0
136.11966	0.9
137.09604	16.9
139.11172	2.9
147.11685	1.5
149.13255	6.3
151.11174	11.5
151.14799	11.7
152.35721	0.6
153.12753	2.2
154.07686	0.7
155.08495	0.7
157.10133	0.8
165.16409	3.7
175.14810	18.2
193.12257	1.0
193.15860	17.2
211.16953	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03725	1.0
53.03936	5.6
54.99751	1.0
55.01880	7.2
55.05507	44.8
56.93306	0.9
56.96549	3.6
57.03431	11.6
57.07065	1.6
57.71339	1.0
65.03912	2.7
67.05499	33.8
69.03423	12.0
69.07058	15.0
70.05851	5.5
70.06572	1.1
71.01366	1.1
71.04992	7.6
72.08178	1.2
72.93796	2.2
79.05486	33.9
79.05952	1.7
81.03411	100.0
81.07048	43.3
83.04973	48.2
83.08131	2.0
83.08616	33.7
85.02878	1.3
85.06532	3.8
86.93953	1.0
87.04483	1.2
88.84542	1.5
90.94833	1.1
91.05472	36.4
93.07031	21.9
95.04353	2.0
95.04962	36.4
95.08601	19.2
97.02866	3.6
97.06508	9.3
97.10162	9.7
98.21513	1.3
99.04418	1.8
99.08067	2.9
105.07027	28.7
107.04972	7.5
107.08571	10.9
109.06525	9.4
109.10150	9.7
111.04443	3.3
111.08069	13.2
115.05431	2.7
117.06965	2.8
119.01936	1.2
119.04945	2.0
119.08571	28.2
121.06512	2.0
121.10104	10.0
123.04408	1.1
123.08078	6.8
123.08893	1.4
123.11676	2.3
124.07568	1.1
125.09631	4.8
129.06995	11.4
131.08553	12.5
133.06476	3.5
133.10118	14.1
134.99651	1.2
135.11694	4.5
137.05939	2.5
137.09613	5.6
137.13315	1.3
141.06963	1.2
142.07762	3.7
144.08041	6.8
144.95935	1.4
145.10034	1.4
145.96693	1.5
146.97403	1.3
147.08058	5.2
147.11659	18.2
148.56042	1.2
149.09625	7.5
151.11203	2.2
155.08525	3.0
157.10110	16.4
163.97667	5.1
165.06924	1.5
165.12744	5.8
166.05843	1.5
169.07709	2.1
169.10063	1.4
175.11182	17.8
175.14838	1.6
181.06386	1.4
181.98703	3.8
184.09758	2.0
188.04671	1.5
193.07639	1.8
193.12225	34.2
193.15875	1.2
205.98772	7.2
211.08916	7.2
211.11320	2.3
211.13268	13.4
211.14874	1.7
212.16435	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	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03932	4.5
55.01871	6.8
55.05508	37.9
56.96564	1.5
57.03444	7.1
57.07067	1.1
59.04985	1.6
65.03920	1.4
67.05503	29.1
69.03430	10.7
69.07067	10.7
71.04995	5.6
71.22446	0.8
79.05491	36.1
81.03416	100.0
81.07054	36.3
83.04979	54.5
83.08128	1.9
83.08617	30.3
83.09110	1.7
85.02878	1.1
85.06559	2.2
87.04429	0.9
89.84222	0.8
91.05480	32.5
93.07042	17.1
95.04967	35.4
95.08598	13.3
97.02891	3.8
97.06497	6.0
97.10162	8.1
98.21655	1.5
99.08118	1.8
105.04516	1.0
105.07024	24.4
107.04967	8.4
107.08581	7.3
109.06542	6.6
109.10172	3.1
111.04420	2.0
111.08087	10.8
113.06017	1.1
115.05420	2.3
117.07004	1.7
119.04895	1.2
119.08581	18.7
121.06486	2.4
121.10143	7.6
123.08073	2.3
123.11650	1.2
125.09612	2.4
129.07005	11.6
131.08577	12.3
133.06487	2.9
133.10133	11.6
137.09613	2.0
142.07767	4.6
145.10103	1.1
145.46393	1.0
147.07994	4.9
147.11696	12.8
149.09642	5.3
157.10143	14.3
163.97792	1.0
165.12756	2.6
169.43335	0.9
175.11188	12.6
193.12253	27.6
202.06039	0.9
211.08803	1.1
211.13240	10.9
211.14951	1.0
226.63393	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	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02400	1.1
53.03940	5.0
55.01867	12.8
55.05505	47.3
56.96552	2.8
57.03430	9.9
57.07064	1.5
59.04982	1.9
63.19094	1.0
65.03924	2.3
67.05498	46.3
69.03423	12.5
69.06712	1.6
69.07063	17.0
69.71869	3.5
69.72297	3.1
70.06557	0.9
71.01314	1.0
71.04988	7.0
72.08155	1.8
73.02880	1.5
73.06522	1.0
79.05486	39.3
81.03410	100.0
81.07047	60.2
82.03714	1.0
82.60806	1.2
83.04974	51.9
83.08612	35.1
84.08153	1.7
85.02892	2.2
85.06537	5.7
91.05473	45.2
93.07036	20.9
95.04963	37.8
95.08601	20.0
97.02876	3.8
97.06522	21.2
97.10155	8.3
98.20885	2.0
98.50085	0.9
99.04426	1.4
99.08085	3.7
105.07024	38.0
107.04950	6.6
107.08596	14.1
109.06509	9.7
109.10151	6.1
111.04429	4.3
111.08067	11.4
113.05993	1.9
115.05475	3.3
117.06998	3.2
119.04914	1.5
119.08570	31.8
121.02879	1.4
121.06491	2.5
121.10130	12.7
123.08083	7.2
123.11687	7.0
125.09618	3.7
127.07537	1.5
129.06989	13.6
131.08554	15.4
132.00200	1.0
133.06444	4.3
133.10112	15.8
135.11679	2.4
137.05997	1.8
137.09579	3.9
142.07730	4.7
144.08086	3.0
145.10098	2.1
147.08034	4.6
147.11681	31.4
148.12085	1.3
149.09627	9.4
151.07484	1.1
151.11157	2.2
155.08524	1.6
157.10114	21.3
163.97676	2.2
165.12773	6.8
175.11162	21.3
175.14859	1.5
181.98665	1.2
183.11694	1.1
193.12233	32.9
201.53445	1.0
205.98727	4.4
211.08661	4.5
211.11285	1.7
211.13206	15.7
211.14870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
51.02382	0.7
51.77889	0.6
52.68475	0.6
53.03945	4.0
55.01867	6.9
55.05509	43.8
56.96556	1.8
57.03183	0.8
57.03436	10.5
57.07066	3.0
59.04987	2.1
65.03943	2.8
67.05501	36.5
69.03432	10.6
69.07063	15.5
70.19812	2.9
71.04988	7.4
73.06574	0.8
79.05489	35.5
81.03414	100.0
81.07053	44.6
82.03750	0.7
83.04977	50.8
83.08614	36.5
85.02905	1.0
85.06536	6.0
87.04482	0.7
91.05477	36.5
93.07036	25.0
95.04967	37.2
95.08601	28.3
95.09225	0.7
97.02892	2.7
97.06519	6.7
97.10165	8.7
97.10754	0.7
98.20841	0.7
99.04440	0.8
99.08080	3.4
101.06055	0.8
101.09660	0.7
103.05482	0.9
105.07021	27.4
106.61309	0.6
107.04943	6.6
107.08593	16.6
109.06503	10.0
109.10147	32.5
111.04455	2.4
111.08076	27.1
113.05978	1.7
115.05453	2.1
117.07038	2.2
119.04957	0.9
119.08576	31.2
121.06499	3.0
121.10139	17.1
123.04453	0.6
123.08067	19.2
123.11706	5.9
125.09624	5.3
127.11185	1.3
129.07007	13.0
129.07893	1.0
131.08566	11.6
133.06485	3.7
133.10127	23.0
135.08057	0.9
135.11687	13.4
137.09607	30.3
137.13248	1.6
138.10399	2.1
139.11205	1.9
142.07794	2.4
144.08125	2.4
145.10168	2.5
145.75371	0.6
147.08072	5.0
147.11678	18.4
148.78735	0.7
149.09621	8.0
149.13245	4.7
151.11194	2.2
151.14824	2.9
155.08534	1.6
157.10115	18.4
163.11180	1.8
163.97774	1.2
165.12743	8.1
165.13947	0.8
169.07687	0.8
169.10196	1.4
175.11185	18.2
175.14807	16.7
178.13553	0.7
183.69919	0.6
193.12242	36.9
193.15898	7.8
205.98851	2.0
211.08989	3.3
211.13235	15.1
211.16644	5.7
212.75345	0.6
229.07561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03950	4.5
54.28027	0.9
55.01871	12.8
55.05508	44.5
56.48359	0.9
56.96548	1.9
57.03432	11.0
57.07069	2.5
59.04998	1.3
65.03928	3.1
66.57086	0.9
67.05503	35.0
69.03428	14.6
69.07066	12.8
69.63731	7.0
70.06589	4.4
71.01356	1.6
71.04994	8.1
72.08140	0.8
73.06541	1.1
74.36960	1.0
79.05487	34.2
81.03413	100.0
81.06570	2.1
81.07053	41.9
82.03756	1.0
83.04976	51.3
83.08613	32.0
85.02896	1.3
85.06527	5.8
86.09706	3.0
87.04446	1.5
90.94808	1.3
91.05474	38.8
93.07035	21.7
94.06548	2.0
95.04352	1.8
95.04964	37.6
95.08607	17.4
97.02884	4.5
97.05515	0.9
97.06525	26.0
97.10147	8.1
98.06049	1.4
98.97556	1.1
99.04420	1.7
99.08072	2.3
101.06001	1.2
103.05504	1.3
105.07027	27.9
107.04932	5.6
107.08593	10.8
109.06512	10.0
109.10131	6.4
111.04455	3.2
111.08069	12.1
113.06017	1.4
115.05458	2.0
117.06975	1.9
119.04958	2.0
119.06110	1.2
119.08565	26.1
121.06490	3.0
121.10160	9.0
123.04454	1.6
123.08057	3.4
123.11720	2.5
124.07554	1.0
125.02338	1.1
125.05975	1.3
125.09628	6.4
129.07007	12.1
131.08577	12.4
133.06474	4.0
133.10124	16.3
134.06036	2.8
134.99586	1.5
135.08058	1.1
135.11693	2.9
137.06007	2.5
137.09628	4.2
142.07796	3.7
145.10130	3.1
146.97365	1.4
147.08043	4.2
147.11678	15.7
148.07648	1.1
149.09618	6.7
151.07565	1.9
151.11217	2.0
152.07068	10.4
155.08597	1.7
157.10117	16.3
163.11110	0.9
163.97676	4.7
165.12769	6.2
166.04915	2.0
166.12268	1.1
167.07013	0.9
169.10078	2.1
169.83591	0.9
169.99039	1.0
175.11162	17.0
175.14781	1.0
179.07179	1.3
181.98802	2.6
193.10425	2.1
193.12216	36.7
194.08142	2.9
196.12704	1.0
205.98811	6.0
211.07545	2.9
211.13158	18.1
212.07184	1.0
212.09035	1.3
212.11884	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	210.1123
Annotation	Anhalamine
Peak:m/z	Relative Intensity
58.06582	4.3
70.43586	0.9
71.07352	1.3
71.14912	2.3
74.28465	0.9
91.05462	5.6
93.07027	1.6
95.04955	23.2
97.99686	0.9
102.05531	1.6
103.05458	3.4
107.04931	2.1
109.06499	1.4
119.04094	1.9
119.04935	40.4
121.06489	5.6
123.04415	100.0
147.04396	41.9
149.08359	9.2
164.10699	74.9
165.05457	93.5
166.05739	1.7
210.11229	72.1
211.11574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.86253	0.8
53.03931	4.4
55.01869	5.9
55.05506	40.8
56.96555	2.4
57.03434	8.8
57.07059	2.4
59.04987	1.7
59.14167	0.9
59.90331	0.8
65.03921	1.5
67.05498	32.5
69.03424	10.1
69.07060	12.5
71.04979	6.3
71.60194	1.3
79.05485	34.2
81.03411	100.0
81.07050	34.5
83.04975	50.9
83.08611	33.7
85.06546	3.1
91.05471	34.1
93.07034	19.7
93.47257	0.8
93.92229	0.9
95.04964	35.8
95.08596	14.0
97.02881	3.2
97.06516	6.4
97.10156	7.9
99.04449	1.7
99.08080	1.9
105.07022	23.4
107.04935	8.2
107.08585	10.0
109.06534	7.0
109.10131	4.5
111.04440	3.0
111.08081	11.4
112.53614	0.8
113.06022	1.4
115.05451	2.1
117.06992	2.5
119.04923	1.3
119.08575	19.7
119.13178	0.8
121.06516	2.4
121.10134	8.1
123.04417	1.0
123.08059	4.8
123.11727	3.0
125.09618	2.8
128.06264	1.0
129.06998	12.0
131.08562	11.8
133.06496	4.8
133.10104	11.6
135.07964	1.0
135.11708	1.5
137.06004	3.1
137.09625	3.0
142.07790	3.4
144.08051	1.6
145.10091	1.4
147.08038	4.7
147.11679	13.4
149.09628	6.0
151.11172	1.2
155.08560	2.9
157.10136	15.1
163.97668	4.2
165.09103	0.9
165.12758	3.8
167.08644	1.0
169.10149	3.7
175.11160	15.5
181.10149	1.2
181.98743	1.6
183.11606	1.0
184.09740	1.0
193.07521	0.9
193.10381	1.5
193.12219	29.2
196.12485	1.7
205.98770	2.9
211.08701	3.2
211.11203	3.1
211.13266	12.3
211.14894	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	210.1124
Annotation	Anhalamine
Peak:m/z	Relative Intensity
53.03953	0.8
54.97624	0.5
58.06599	3.7
70.45003	2.4
71.07370	1.5
91.05464	8.6
93.07030	1.3
95.04962	28.5
100.02487	0.7
102.05537	2.4
103.05476	3.2
107.04943	2.5
109.06521	1.1
112.12848	0.5
119.03675	0.8
119.04934	40.6
121.06494	6.3
123.04416	100.0
124.04750	0.7
126.42924	0.7
136.71852	0.5
137.05974	1.6
144.99922	0.6
147.04396	36.0
149.08342	11.0
164.10704	59.6
165.05460	59.1
165.10959	0.8
174.20518	0.6
179.28391	0.5
181.09737	0.5
204.04878	0.5
210.11230	43.0
211.11688	1.0
222.22264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.05132	0.5
53.03942	2.2
55.01873	0.7
55.05503	2.7
57.03428	0.7
57.07068	2.0
59.05000	1.5
59.72921	0.6
65.03957	0.7
67.05502	5.6
69.03421	11.5
69.07063	5.5
69.11542	0.5
69.61464	2.1
69.61887	1.7
71.04989	2.0
79.05480	4.6
81.03407	11.7
81.07047	10.7
83.04994	3.5
83.08606	1.0
84.78367	0.5
85.06545	0.8
91.05462	3.9
93.07030	7.5
95.04965	9.4
95.08603	12.0
97.06522	2.1
98.21505	0.7
99.08096	1.5
105.07011	5.6
107.08585	13.8
109.06513	13.0
109.10138	2.7
110.07256	0.7
111.04433	0.7
111.08099	1.3
117.07058	0.7
119.08567	6.2
121.06508	1.7
121.10131	14.9
122.07283	0.5
123.08059	14.1
123.11688	7.7
125.09642	0.5
131.08569	1.6
133.10132	2.2
135.08044	2.4
135.11678	1.9
137.09608	3.8
137.13240	2.2
139.11151	0.7
145.10136	1.3
147.11659	3.8
149.05989	0.9
149.09616	11.1
149.13240	7.7
151.11157	5.8
153.09071	0.8
158.10974	0.7
163.11150	1.2
163.14868	1.7
165.12743	100.0
166.13068	1.5
173.13242	2.6
191.14322	3.9
209.08044	0.8
209.15346	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03922	2.6
55.01854	3.4
55.05506	31.2
56.96560	2.4
57.03415	3.0
57.07072	7.2
57.37959	1.0
59.04980	3.3
65.03906	1.8
67.05498	17.4
68.99769	3.0
69.03419	29.4
69.06712	1.4
69.07057	18.4
70.06577	1.7
70.84530	2.5
71.04981	6.9
72.93790	1.0
79.05482	15.6
81.03391	2.2
81.06577	1.1
81.07044	18.7
83.04968	24.9
83.08602	11.1
84.08140	1.7
84.47122	0.9
85.02876	1.8
85.06536	10.4
91.05461	13.2
93.03415	1.1
93.07036	29.2
93.53880	0.9
95.04958	15.3
95.08598	19.4
96.20418	0.9
97.02864	1.6
97.06522	9.0
97.10162	21.2
98.97572	2.8
99.04442	2.3
99.08078	13.5
103.05468	2.9
105.07014	13.5
106.04154	1.8
107.04932	3.5
107.08582	44.3
109.06503	15.6
109.10146	16.0
111.04404	3.7
111.08072	10.5
113.05989	9.9
115.05453	1.6
116.98609	1.4
117.06995	3.2
119.04925	1.6
119.08562	9.2
121.06487	19.0
121.10130	33.5
123.04382	1.5
123.08064	9.8
123.11687	7.1
125.06010	8.8
125.09615	100.0
125.13206	1.3
127.07545	2.2
129.06961	1.1
131.08539	9.8
133.10114	12.6
135.08049	18.2
135.11678	5.2
137.05936	1.3
137.09583	4.1
139.07526	17.7
139.11159	4.1
141.00984	1.7
143.08569	1.2
145.10097	5.1
147.07935	1.6
147.11732	4.6
149.05983	4.8
149.09605	68.8
149.13228	15.7
150.10155	1.1
151.11162	41.7
153.05460	1.6
153.09094	20.8
154.09854	4.0
158.10854	1.7
163.07571	4.7
163.11166	5.5
163.14801	15.0
165.12709	2.8
167.07040	2.8
167.10672	3.0
167.14279	4.2
167.97403	1.2
173.09587	1.5
173.13260	10.0
175.82722	1.0
177.00664	1.2
177.05432	3.3
179.79236	0.9
181.08591	2.7
191.06998	1.4
191.10699	4.6
191.14285	29.7
204.25836	1.2
209.04486	1.6
209.08121	5.7
209.11726	6.3
209.15346	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02387	0.8
53.03939	2.3
55.01865	6.1
55.05259	1.0
55.05505	14.2
56.96553	2.2
57.03422	3.7
57.07075	4.5
57.17755	0.8
59.04984	3.2
61.60487	0.7
65.03924	3.0
67.05166	1.3
67.05498	20.2
67.05860	1.1
68.99774	1.1
69.03065	1.3
69.03420	18.0
69.06713	1.4
69.07061	19.8
70.06593	1.4
71.04984	11.6
71.60692	1.3
71.61092	1.2
74.09750	0.8
75.02586	0.8
77.03873	0.8
79.05483	19.0
81.03391	2.8
81.06569	1.6
81.07049	26.3
82.06585	0.9
83.04970	15.3
83.08620	7.9
84.08136	1.1
85.02879	1.4
85.06537	2.8
87.04459	1.2
91.05473	16.7
93.03400	1.4
93.07034	34.5
95.04961	19.6
95.08595	40.8
96.08876	1.0
97.02898	1.0
97.06515	10.5
97.10170	1.2
99.04445	3.2
99.08083	5.4
103.05435	2.2
105.06299	1.0
105.07015	21.8
106.04169	4.8
107.04930	4.6
107.08582	61.1
109.05788	1.1
109.06506	18.8
109.09441	1.4
109.10146	16.3
111.04404	1.6
111.08065	6.0
113.09628	1.9
115.28017	0.9
117.07014	5.0
119.08554	13.3
121.06491	16.4
121.10133	44.6
123.04404	1.9
123.08062	11.5
123.11703	5.7
125.05996	2.8
125.09608	11.5
129.06934	1.0
130.07767	2.2
131.04886	1.6
131.08553	8.2
133.06499	1.0
133.10115	18.0
135.04431	0.9
135.08037	22.6
135.11671	15.1
136.08798	1.0
137.05934	0.9
137.09613	6.6
139.07518	2.4
139.11166	5.1
143.08516	2.7
145.10110	19.5
147.04346	1.2
147.08014	1.4
147.11684	8.6
148.08862	1.8
149.05954	7.4
149.09605	18.6
149.13226	18.9
151.11165	100.0
152.11450	1.0
153.09048	4.7
158.10881	4.2
161.01266	0.9
163.07478	1.6
163.11162	26.1
163.14798	9.2
165.05579	1.5
165.12717	9.9
167.06989	1.1
167.10654	1.3
171.11809	1.2
173.09586	3.1
173.13234	15.0
177.05435	4.7
179.08525	1.7
181.08549	1.3
181.10040	0.8
181.12247	1.1
191.10622	9.5
191.14291	38.5
209.04424	1.9
209.07953	1.9
209.09721	1.6
209.11581	6.6
209.13420	1.4
209.15295	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	2.6
55.01857	1.5
55.05493	3.2
57.03425	1.7
57.07085	3.9
57.07333	0.8
59.05011	1.5
64.49931	0.8
65.03915	1.4
67.05495	8.4
69.03423	13.3
69.07067	6.8
69.46170	1.8
69.46577	5.2
71.04974	2.4
73.22585	0.7
79.05490	7.5
81.03407	13.1
81.07051	12.9
83.04993	5.0
83.08610	2.2
85.02876	1.4
85.06532	1.4
91.05451	7.5
93.07038	11.0
95.04972	12.7
95.08033	1.3
95.08598	14.3
97.02879	1.1
97.06500	2.8
99.04442	1.0
99.08083	2.5
103.05452	1.5
105.07023	8.7
106.04154	2.7
107.04954	1.2
107.08593	14.2
109.06508	16.5
109.10151	2.7
111.04407	1.2
111.08078	1.5
117.06995	1.6
119.08587	7.6
120.08147	0.9
121.06490	5.2
121.09306	1.3
121.10132	16.9
123.07195	1.0
123.08067	14.9
123.11707	8.9
125.09607	0.9
128.04247	0.7
131.08554	2.0
133.10089	2.7
135.08014	3.5
135.11684	3.1
137.09618	5.1
137.13216	3.0
139.07512	0.9
141.01031	1.0
145.10085	3.6
147.11668	5.6
149.05949	3.5
149.08527	1.5
149.09599	14.3
149.13266	9.5
150.10030	0.8
151.11153	8.2
153.09138	2.0
163.11179	3.0
163.14825	1.4
165.12740	100.0
166.13136	1.1
167.14226	0.9
173.13235	2.8
177.05455	2.3
191.14276	4.5
209.07985	1.8
209.11726	2.6
209.15344	39.2
214.14963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	3.4
55.01868	8.0
55.05502	15.2
55.17744	1.5
56.96569	3.7
57.03425	4.1
57.06357	1.6
57.07064	4.5
59.04994	3.8
65.03951	3.2
67.05495	20.3
69.03417	14.1
69.07061	22.7
70.19067	6.7
71.04981	11.7
77.03934	1.6
79.05482	22.5
81.03416	4.7
81.07048	31.5
83.04977	25.3
83.08606	13.2
85.06524	1.6
91.05461	18.0
93.03403	3.0
93.07045	31.5
95.04955	32.0
95.08601	40.4
97.02911	2.1
97.06512	11.7
98.21513	2.1
99.04453	6.0
99.08099	3.1
103.05461	2.6
105.07010	14.7
106.04165	7.7
107.04984	7.9
107.08580	53.8
107.09280	2.8
109.06516	19.7
109.10148	22.7
111.04439	3.6
111.08083	9.0
117.07022	6.8
117.95957	1.7
119.04945	1.7
119.08553	10.1
120.64896	1.7
121.06482	17.2
121.10129	39.4
123.04424	2.6
123.08076	8.4
123.11720	8.3
125.05979	4.7
125.09618	12.6
130.07793	2.0
131.08562	11.0
133.10112	19.3
134.03653	2.0
135.08031	17.5
135.11662	17.8
137.09604	4.2
139.07491	2.8
139.11182	6.3
143.08600	2.7
145.10106	13.0
147.11678	11.1
148.08824	1.8
149.05972	9.1
149.09589	16.1
149.13243	24.4
151.11169	100.0
153.09067	8.6
158.10905	2.2
163.11137	14.2
163.14780	14.4
165.12744	7.3
167.07033	1.8
167.14346	4.5
173.13234	16.1
177.05473	5.1
191.10652	3.1
191.14284	52.2
209.04404	2.6
209.08035	4.1
209.09883	2.0
209.11746	5.2
209.15343	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.38291	1.6
53.03923	3.5
55.01865	9.9
55.05259	1.6
55.05503	22.7
56.96544	6.9
57.03405	5.3
57.07064	7.6
59.04971	5.5
65.03909	4.1
67.05167	2.2
67.05493	26.0
68.20032	1.6
69.03417	24.1
69.06715	2.0
69.07060	24.9
70.06564	4.7
70.51431	1.2
71.04986	15.4
71.34415	1.7
71.34753	2.1
75.04475	1.9
78.04674	2.3
79.05476	26.4
79.77454	1.4
81.03394	12.1
81.06578	2.2
81.07043	38.7
83.04967	25.0
83.08621	10.4
84.08113	6.1
85.02895	2.6
85.06518	5.4
86.09682	2.4
86.85674	1.5
91.04951	2.7
91.05464	28.4
93.03384	1.5
93.06470	2.3
93.07032	43.7
94.06539	1.9
94.07321	1.9
95.04958	33.8
95.08595	45.2
97.02894	2.6
97.06512	16.0
97.10151	7.8
99.04418	5.6
99.08051	7.1
103.05441	5.6
105.07006	28.1
106.04179	8.7
107.04913	7.1
107.08578	71.0
109.06505	33.3
109.09439	2.5
109.10141	27.0
111.04424	4.9
111.08082	8.1
117.03387	2.0
117.06961	5.6
119.01935	1.8
119.04910	2.8
119.07790	1.9
119.08556	19.7
120.84206	1.4
121.06490	22.4
121.10126	60.6
122.07242	4.1
123.04392	4.6
123.08060	19.1
123.11687	11.5
125.05962	4.4
125.09621	15.1
127.07561	1.6
129.05586	2.3
131.08540	14.8
133.10117	30.5
134.03580	3.2
135.04431	1.7
135.08040	26.6
135.11659	15.8
136.08711	1.6
137.09593	16.7
139.07469	4.8
139.11136	7.1
143.08551	2.7
145.02818	2.4
145.10083	16.6
147.04327	2.7
147.08012	2.5
147.11681	12.8
148.05159	1.8
149.05978	15.8
149.09599	100.0
149.13234	25.6
151.07544	2.4
151.11165	90.5
153.05469	1.7
153.09077	11.1
158.10857	4.0
163.07460	3.6
163.11166	19.0
163.14806	12.5
164.10651	1.9
165.05452	4.2
165.08955	1.6
165.12732	52.9
167.14252	2.2
173.09578	3.6
173.13239	20.3
177.05467	12.1
179.08513	3.4
179.25090	1.6
181.08514	2.1
181.09991	3.2
191.10632	8.2
191.14285	47.3
192.06424	1.8
194.10861	2.4
196.11171	2.0
209.04327	3.8
209.06277	1.8
209.08049	4.9
209.09724	4.0
209.11604	9.6
209.13435	4.5
209.15308	64.0
210.11195	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02380	0.2
53.03936	0.6
54.86211	0.3
55.01855	1.3
55.05507	2.0
56.70971	0.2
56.96555	0.6
57.03421	0.4
57.07071	5.0
59.05000	0.3
65.03943	0.4
67.05502	4.0
69.03420	1.8
69.07060	3.2
71.04980	2.4
71.60233	0.4
74.43246	0.3
79.05482	4.6
81.03401	0.6
81.07050	6.5
83.04971	2.2
83.08635	1.5
84.08170	0.4
85.02892	0.4
85.06554	0.6
91.05460	3.7
93.03400	0.5
93.07038	4.4
95.04961	4.9
95.08042	0.5
95.08599	6.6
97.02882	0.4
97.06518	1.9
99.04455	0.5
99.08095	0.4
103.05467	0.6
105.07027	3.9
106.04185	0.5
107.04962	0.8
107.08587	8.2
109.06506	100.0
109.10142	7.4
110.06860	0.9
111.04424	0.7
111.08054	1.6
113.09595	0.6
117.06998	1.3
117.95966	0.7
119.08551	2.1
121.06507	2.3
121.10127	5.3
123.04417	0.6
123.08047	9.5
123.11707	0.6
124.08329	0.3
125.06045	0.4
125.09608	1.3
129.06999	0.4
131.08557	4.7
133.10136	3.7
134.03554	0.3
135.08038	20.0
135.11653	1.8
135.97021	0.6
137.09567	0.4
139.11176	0.8
143.08611	0.4
145.02702	0.3
145.10121	2.4
147.08012	0.7
147.11665	1.4
148.08810	0.9
149.05937	1.1
149.09616	3.4
149.13231	2.4
150.10347	1.2
151.09955	0.5
151.11160	8.3
153.05443	0.4
153.09091	4.7
158.10869	0.7
161.09575	0.6
162.10434	0.3
163.07515	0.5
163.11136	1.7
163.14781	0.9
165.05563	0.3
165.12738	0.9
167.14233	0.3
173.09575	0.3
173.13254	5.3
176.11919	0.7
177.05469	0.8
178.94926	0.3
179.08409	0.6
181.08595	0.3
181.10007	0.3
191.06999	0.4
191.10783	0.6
191.14288	20.9
192.14558	0.7
196.75218	0.3
209.04475	0.6
209.07935	0.6
209.09714	0.6
209.11644	1.0
209.13313	0.9
209.15324	11.3
219.85951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	5.2
54.55500	1.3
55.01860	8.3
55.05508	23.1
56.96557	2.8
57.03429	8.5
57.07072	6.2
59.04985	6.0
65.03908	2.8
67.05497	21.9
68.99767	3.6
69.03417	14.0
69.07064	23.4
69.64544	2.0
69.64957	7.8
70.06584	3.3
71.04990	11.2
75.04446	2.3
78.04692	2.5
79.05482	20.3
81.03403	4.5
81.07047	34.6
83.01321	1.9
83.04971	34.7
83.08605	14.8
84.08136	2.6
85.02884	3.6
85.06529	9.2
91.05471	24.6
92.27751	1.4
93.03378	2.6
93.07033	41.4
95.04958	30.0
95.08596	28.5
97.02885	4.1
97.06522	13.7
97.10152	2.9
98.21491	1.7
99.04434	5.6
99.08087	23.0
103.05428	5.0
103.25637	1.7
105.04499	1.6
105.07026	21.0
106.04143	7.1
107.04956	7.1
107.08584	62.4
109.02877	3.5
109.06511	20.2
109.09444	2.5
109.10143	25.9
110.07173	1.7
111.04443	7.4
111.08072	11.8
117.07002	4.8
119.08595	12.4
121.06500	19.9
121.09306	2.7
121.10137	41.0
123.04415	3.7
123.08057	16.6
123.11700	10.0
124.07558	2.0
125.05987	9.2
125.09609	17.4
125.13194	1.9
126.48141	1.4
131.08543	10.7
133.10121	21.7
135.08054	20.1
135.11699	9.9
137.05946	2.1
137.09602	11.3
139.07515	9.9
139.11182	4.7
140.75761	1.2
143.08524	1.5
145.10120	7.2
147.11690	9.7
149.06026	10.2
149.09607	100.0
149.13245	27.7
150.10051	1.3
151.09947	3.2
151.11166	57.2
153.09082	17.1
154.09926	3.0
158.10922	4.6
161.13283	2.0
163.11168	6.1
163.14815	14.3
165.12755	5.3
167.07053	2.1
167.14284	2.3
172.78467	1.2
173.13240	24.5
177.05464	7.0
181.06610	1.4
181.08508	2.7
191.07039	1.7
191.10674	3.6
191.12639	2.8
191.14301	38.0
194.00288	4.4
197.05171	2.8
197.41457	1.6
209.04378	1.7
209.08046	3.0
209.09856	2.9
209.11768	5.1
209.15349	73.3
210.11275	1.6
210.15561	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	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02384	0.9
53.03939	2.4
55.01861	6.0
55.05505	7.6
56.96570	2.0
57.03418	2.7
57.07067	1.0
59.50146	0.9
65.03918	1.8
67.05168	1.2
67.05500	20.3
68.99780	1.5
69.03426	6.1
69.07062	12.5
69.79661	3.0
69.80092	2.6
71.04987	18.3
78.04678	1.2
79.05487	48.1
81.03371	2.1
81.07053	12.3
83.04974	12.6
83.08592	1.0
84.08128	2.0
85.02869	0.9
85.06521	3.8
87.04484	1.7
91.05475	26.8
93.03386	1.0
93.07035	39.0
95.04965	22.4
95.08611	4.4
97.02917	1.2
97.06535	10.6
98.20757	1.1
98.97575	1.2
99.04436	2.5
99.08076	1.2
103.05450	3.1
103.31590	0.8
105.07022	23.0
105.95326	0.9
106.04166	3.0
107.04953	33.1
107.08586	43.6
109.06502	8.3
109.10139	3.0
111.04452	6.6
111.08041	3.2
113.05997	1.2
115.05438	2.1
115.81676	0.8
116.06219	2.4
117.07001	10.5
119.08569	16.9
120.83157	0.9
121.06496	30.7
121.10131	28.8
121.10995	1.1
123.04435	4.3
123.08047	4.3
123.08855	0.9
123.11671	1.0
125.05980	13.5
125.09624	3.1
127.03905	1.3
129.06999	8.1
130.07777	3.5
131.08559	82.2
132.08871	1.1
132.50998	1.1
133.10080	4.1
134.03642	1.2
135.04364	2.0
135.08037	8.6
135.11679	9.9
137.05965	2.3
137.09569	3.1
139.07513	8.1
141.05469	1.7
143.08496	1.2
145.06461	3.9
145.10112	44.4
146.10493	1.1
147.08028	8.5
147.11670	3.3
148.05167	1.3
149.05992	9.5
149.09605	100.0
150.09990	1.3
151.07532	1.6
151.11191	2.1
153.05479	5.9
153.09081	3.4
155.07010	1.6
155.08472	1.6
163.07535	8.0
163.11179	34.3
163.14783	1.1
164.11552	1.1
165.09096	17.0
167.07021	6.3
167.10664	15.6
167.14279	1.7
173.09657	11.9
173.13251	1.0
177.05418	2.5
181.05096	1.0
181.08603	1.9
181.12135	1.0
191.10655	63.5
191.14215	4.4
194.97438	0.9
205.03857	0.9
209.08109	3.5
209.11716	68.2
209.15126	8.3
210.12073	1.1
228.95212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02369	1.2
53.03933	2.4
55.01871	11.0
55.05257	1.6
55.05505	21.1
55.93492	1.1
56.05000	1.7
56.94280	1.7
56.96556	21.6
57.03415	5.4
57.07068	12.2
57.66466	1.0
59.04981	1.2
65.03922	6.9
67.05498	20.5
68.05003	1.4
69.03420	10.4
69.06720	1.4
69.07066	21.1
69.47626	11.7
70.06569	4.3
71.01366	1.6
71.04987	21.9
71.95284	1.2
72.08128	2.6
72.93776	3.9
77.03915	1.4
79.05486	47.7
80.04998	1.6
81.03421	6.0
81.07047	24.5
82.06565	1.6
83.04977	22.0
83.08614	8.3
84.04449	1.3
84.08151	5.8
84.95992	1.5
85.02879	3.1
85.06528	6.8
87.04438	1.5
89.03852	1.2
89.88003	1.2
90.40276	1.1
90.94819	2.5
91.05472	59.0
92.05797	2.1
93.03349	3.0
93.07037	52.1
94.06520	1.6
95.04961	35.4
95.08598	11.3
95.61146	1.1
97.02866	5.1
97.06515	12.3
97.10129	1.9
98.97575	4.0
99.04416	4.2
99.08078	4.0
103.05428	6.9
105.04522	1.4
105.07023	32.7
106.04146	4.4
107.04274	1.8
107.04947	21.7
107.08585	54.6
109.02869	2.6
109.06511	21.5
109.07631	2.3
109.10153	8.9
111.04419	6.1
111.08070	3.9
113.06007	2.2
115.05443	2.3
116.06219	1.9
116.98588	3.9
117.07000	12.3
119.01868	2.6
119.04935	37.5
119.08578	14.3
120.97962	1.3
121.06495	38.0
121.08379	1.3
121.10126	36.6
122.06069	1.4
123.04397	5.2
123.08062	13.9
123.11662	2.0
124.99087	5.1
125.05957	10.1
125.06924	2.0
125.09620	9.2
129.06970	3.6
130.07753	3.1
131.04893	3.7
131.08559	87.0
133.06458	4.3
133.07477	1.2
133.10118	8.6
134.03673	1.6
134.99629	3.1
135.04425	3.5
135.08029	17.5
135.11688	10.5
136.07555	2.0
137.05934	4.2
137.09595	3.0
139.03867	1.7
139.07512	5.1
139.11101	2.6
141.00981	3.2
141.05441	3.7
141.18327	1.1
143.00146	18.8
143.08534	2.5
145.10103	37.3
146.99644	1.7
147.04396	100.0
147.08035	8.1
147.11662	5.1
148.04997	2.6
148.08690	1.8
149.06013	13.0
149.09605	65.5
149.13257	5.4
151.06389	1.1
151.07474	7.3
151.11177	7.3
153.05473	12.9
153.09062	8.6
155.08502	1.3
157.03455	1.2
160.05051	1.7
161.01221	40.2
162.01500	1.2
162.96808	1.6
163.06345	1.6
163.07532	10.5
163.11163	31.3
163.14848	2.7
165.05421	1.8
165.09114	2.8
165.12723	1.6
166.00761	2.7
166.06332	1.6
167.06981	7.4
167.10660	4.8
167.14305	5.6
169.01697	1.6
173.09618	6.6
173.13203	4.7
176.04599	2.1
177.00728	2.1
177.04959	14.0
177.09077	3.0
178.06133	1.3
178.09877	22.5
179.02275	6.0
179.10649	2.5
181.08543	5.4
181.09953	1.7
181.98628	1.4
185.01219	12.6
189.00653	3.5
191.07002	4.7
191.10658	31.6
191.14330	11.1
194.00290	11.6
194.02101	6.8
194.09332	2.9
203.02238	7.8
203.03934	2.0
203.99257	1.7
209.02991	9.1
209.04160	9.2
209.07767	6.3
209.09799	4.4
209.11705	56.8
209.15295	34.8
210.07610	1.4
210.11717	1.6
225.72125	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	208.0715
Annotation	Methyl 5-hydroxy-2-benzimidazole carbamate
Peak:m/z	Relative Intensity
53.03921	0.3
56.96563	0.8
62.34030	0.3
65.99432	0.2
69.07079	0.3
70.39595	0.9
80.05016	3.6
81.68222	0.2
83.06081	0.3
91.05473	0.3
92.05824	0.5
92.40143	0.2
92.50552	0.3
94.69314	0.2
95.08630	0.3
98.97550	0.5
107.06055	0.3
107.08551	0.2
108.04493	1.0
120.05325	0.8
120.08079	0.3
121.10141	0.3
124.08412	0.3
147.04370	0.4
148.05049	11.5
149.05717	0.4
151.05000	0.3
159.04297	1.5
175.03812	0.3
176.04546	100.0
177.00732	0.4
177.04935	1.4
180.07666	1.5
208.07162	24.6
209.07436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02369	0.8
53.03941	4.5
55.01868	17.7
55.05506	35.7
56.05830	0.5
57.03430	5.6
57.07067	3.0
61.02918	0.5
64.59782	0.5
65.03929	3.9
67.05498	50.7
68.05809	0.6
69.03423	5.1
69.07061	21.6
70.92273	1.0
70.92611	0.5
71.04990	6.5
73.02910	5.1
77.03915	1.2
79.05485	75.3
80.05839	0.8
80.06335	0.4
81.02955	0.7
81.03413	7.0
81.07049	52.1
82.07394	0.8
83.01336	1.0
83.04974	10.8
83.08613	19.1
83.64380	0.5
85.02893	0.7
85.06529	1.4
91.05473	30.6
92.05772	0.6
93.03387	1.2
93.07034	99.6
94.07355	1.5
95.04964	23.4
95.08598	100.0
96.08926	1.1
97.02887	8.5
97.06520	10.4
97.10147	1.5
99.04451	9.8
101.05982	0.5
103.05432	2.7
105.04523	2.0
105.07023	21.2
106.07357	0.6
107.04946	25.7
107.08584	63.0
108.08884	1.1
109.02857	0.7
109.06512	6.7
109.10135	4.2
111.04456	4.4
111.08115	3.0
113.05991	1.2
113.09621	0.8
115.05433	2.8
116.06229	1.6
117.07004	24.0
117.95985	2.0
118.96750	1.4
119.08568	20.1
121.05632	1.0
121.06495	15.4
121.10132	21.2
123.04440	0.9
123.08073	1.1
125.05983	5.3
125.09585	0.7
127.07561	0.6
128.06201	0.7
129.06989	2.0
130.07788	7.0
130.08727	0.5
131.04913	1.2
131.08531	1.6
133.10127	5.9
135.08051	5.5
135.11679	76.6
135.96989	1.7
136.11993	1.5
139.07542	2.6
143.08554	2.5
145.06442	1.1
145.10109	54.0
146.10390	1.0
149.05951	0.8
149.09610	1.3
149.13260	0.8
153.09160	0.6
153.12669	1.1
155.08539	0.9
163.11168	60.7
163.97643	0.5
164.11531	0.9
165.12807	0.7
167.97505	0.5
173.09564	1.4
177.05486	0.8
179.08530	0.5
181.10822	0.4
181.12239	3.5
191.10687	0.7
191.14304	0.5
209.04489	0.7
209.11526	0.8
209.13350	0.6
209.15294	6.0
227.12791	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.54306	1.8
53.03936	2.1
53.28484	2.2
55.01862	3.1
55.05492	8.4
56.96544	2.5
57.07056	5.4
59.04998	3.0
65.03928	4.1
67.05498	32.3
69.03423	14.5
69.07051	5.2
70.58475	6.4
71.04985	5.1
78.22859	1.9
79.05495	13.0
80.34113	1.8
81.03410	2.4
81.07050	14.4
83.04954	7.1
83.08606	2.0
85.02904	12.2
85.06528	8.5
89.35793	2.0
91.05484	27.9
93.07034	23.0
95.04935	6.5
95.08601	100.0
97.06489	3.1
103.05457	2.8
105.06376	2.8
105.07026	37.0
107.04939	2.8
107.08587	62.7
109.06527	12.6
109.10152	7.7
111.08080	3.4
113.05983	5.8
113.14333	1.7
117.07016	3.7
119.04935	8.5
119.08574	46.4
121.06476	6.6
121.10134	22.9
123.04401	2.6
123.08063	56.0
123.11703	14.0
124.45676	1.8
128.06279	2.4
131.08525	8.7
132.02104	2.0
133.06461	5.7
133.10129	12.5
135.08022	4.9
135.11676	4.8
137.09605	13.3
139.07495	2.7
143.08548	4.2
145.10104	4.7
146.03653	2.4
147.04376	5.8
147.08038	11.4
147.11649	25.2
149.09618	71.6
151.07550	10.1
151.14841	2.6
156.09351	7.2
157.08687	1.9
159.08058	2.7
159.11737	2.0
160.08804	2.5
161.09596	4.7
161.13268	34.8
163.11151	4.0
165.09111	4.2
165.12732	9.6
171.11662	8.0
174.10368	5.5
175.03938	9.1
175.06940	2.9
179.14299	4.2
189.12747	30.5
192.04237	2.8
207.06480	4.3
207.11864	3.3
207.13791	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.45414	1.1
53.03942	8.5
55.01855	1.2
55.05293	0.9
55.05504	8.9
65.03927	2.7
67.05499	26.5
69.07070	6.1
70.13831	1.4
70.14141	5.2
71.05003	1.8
77.03902	0.9
79.05489	50.3
81.03392	2.9
81.07054	23.9
83.04972	3.5
83.08607	2.9
85.02906	1.6
85.06521	3.5
91.05474	58.8
93.07037	100.0
94.07365	1.3
95.04965	22.4
95.08585	10.7
97.06533	1.9
97.10151	1.4
100.55136	1.0
105.04535	2.6
105.07021	31.8
107.04938	1.4
107.08574	11.5
109.06493	3.9
109.10194	1.5
115.96404	4.2
116.97194	1.4
117.07006	6.3
119.08573	19.4
121.06519	1.8
121.10114	1.9
123.08098	5.4
127.07469	1.3
128.06210	2.4
129.07007	8.8
133.06461	1.1
133.10103	6.8
133.97452	2.7
143.08542	5.4
145.10130	7.9
147.08015	2.5
147.11679	53.5
149.09554	1.1
161.09604	4.5
161.13260	9.4
165.12796	1.5
165.22231	1.1
171.11665	19.9
179.51572	1.0
189.12718	10.6
192.41847	1.0
207.13771	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03956	1.6
55.05510	6.7
57.03438	1.5
57.07080	5.7
59.04994	2.3
59.72638	1.0
65.03941	2.7
67.05497	36.0
69.03429	4.4
69.07058	3.4
71.04965	2.4
71.48360	1.7
79.05490	5.4
81.07050	6.0
83.04976	4.2
85.06534	9.0
91.05485	9.2
93.07035	13.7
95.04951	3.7
95.08601	100.0
96.08930	1.2
97.06538	1.3
103.05477	1.0
105.07021	17.3
107.08587	16.9
109.06480	5.5
109.10156	4.5
111.08070	1.3
113.06001	6.2
117.07003	1.8
119.08569	27.4
120.09362	1.0
121.06531	3.5
121.10128	16.5
123.08058	60.1
123.11711	5.8
129.06996	1.0
131.08548	5.1
133.06458	1.4
133.10130	7.2
135.08089	2.7
135.11688	3.1
137.09631	4.1
137.13281	2.0
139.07518	1.5
145.10115	2.0
147.08029	3.8
147.11676	11.9
149.09604	32.4
151.07516	1.8
151.14838	3.8
156.09396	1.5
159.08035	2.9
160.08803	1.2
161.09615	1.4
161.13242	19.4
163.11203	3.3
165.09149	1.5
165.12723	9.6
171.11647	3.0
174.10428	3.7
179.14278	2.6
189.12747	17.9
207.13806	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
50.77142	0.2
51.93678	0.2
52.99638	0.2
53.03936	0.4
55.01860	0.3
55.05514	1.2
56.96562	8.3
57.03434	0.5
57.07071	1.4
58.96175	0.3
59.04985	0.3
60.95857	0.3
65.03943	0.3
67.05499	1.6
69.00189	0.2
69.03423	1.1
69.07065	2.9
69.36391	2.2
69.86819	0.2
71.04979	0.8
71.95289	0.4
79.05480	2.3
81.03414	0.4
81.07048	2.9
83.04980	1.1
83.08616	0.5
84.94688	0.2
85.02885	0.6
85.06542	0.7
91.05473	4.5
93.07027	2.6
95.04978	1.9
95.08599	2.4
97.06542	0.4
99.04414	0.3
103.05466	0.5
105.07027	7.7
106.07334	0.4
107.04942	0.4
107.08588	3.1
109.06511	2.0
109.10166	1.0
110.61492	0.2
111.04440	0.2
111.08065	0.5
115.05421	0.3
115.96428	2.4
116.97190	1.6
117.06998	1.0
119.04939	1.0
119.08574	6.8
121.06505	1.6
121.10136	4.1
122.07224	0.4
122.10389	0.4
123.03909	0.2
123.08064	7.3
123.11681	1.7
128.06230	0.5
129.07007	0.5
130.07816	0.5
131.08557	2.8
133.01692	0.4
133.06493	2.4
133.10138	1.5
133.97475	2.8
135.08052	1.2
135.11671	0.9
136.08786	0.5
137.04384	0.3
137.05997	0.9
137.09590	1.4
137.13260	0.4
139.07581	0.4
141.06996	0.3
142.07767	0.3
143.00146	0.3
143.08525	0.8
145.06462	0.6
145.10104	2.5
146.07198	0.4
146.10526	0.6
146.55060	0.5
147.04358	1.1
147.08022	1.4
147.11690	6.0
149.02283	0.2
149.09621	5.5
151.07533	7.3
155.05344	1.7
155.55557	2.9
156.09293	1.4
156.99088	0.3
157.01672	0.4
157.10060	0.3
159.03331	0.3
159.08046	4.5
159.11705	0.2
161.01224	1.1
161.09587	0.8
161.13228	1.8
161.57431	0.4
163.07562	0.3
163.11162	2.6
164.11938	1.0
164.56113	0.3
165.07591	0.3
165.09093	1.5
165.12772	2.2
165.57692	0.6
166.07820	0.3
166.56197	0.3
167.06401	0.8
171.11676	1.4
173.09627	1.5
174.08046	0.3
174.10397	5.7
174.58200	2.1
175.03975	0.5
175.11136	1.0
177.09177	1.9
183.08536	0.4
183.58728	1.8
184.00122	0.4
186.09015	0.7
189.12741	9.0
189.14435	0.5
191.10655	3.9
192.11440	31.2
192.59271	0.2
193.11803	0.8
207.06442	1.4
207.13789	100.0
208.14120	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02370	0.9
51.04522	0.4
51.84752	0.4
53.03938	5.1
55.01865	1.4
55.05501	8.1
56.96561	1.2
57.03448	0.7
57.07072	0.8
59.04995	0.4
65.03944	1.4
67.05497	27.5
68.76649	0.4
69.03423	1.0
69.07063	6.4
71.04984	2.8
73.06561	1.1
73.72830	0.5
74.93763	0.5
77.03903	1.1
79.05484	47.2
80.05840	0.5
81.03416	1.7
81.07046	24.1
83.04972	3.0
83.08611	2.8
85.02895	1.0
85.06531	3.4
87.04473	0.6
91.05471	54.9
92.05782	0.9
92.94792	0.4
93.07033	100.0
94.07370	0.9
95.04957	20.9
95.08596	10.7
97.06539	2.9
97.10150	0.9
99.08056	0.6
102.95676	0.5
103.05454	0.6
105.04526	2.2
105.07018	28.1
107.04928	1.0
107.08585	11.7
109.06503	5.4
109.10146	1.5
109.34215	0.4
111.08045	1.2
115.05430	0.6
115.96429	6.7
116.97227	2.7
117.07001	5.1
119.04929	0.8
119.08567	16.0
121.06485	1.8
121.10107	4.1
123.08059	6.0
123.11717	0.7
125.05996	0.6
127.07543	1.3
128.06200	1.8
129.07002	9.0
131.08546	1.6
133.06461	0.7
133.10114	6.8
133.97462	6.4
135.08063	0.8
135.11673	0.9
137.05951	0.6
137.09575	1.1
143.08549	6.3
145.10115	9.1
147.04408	0.6
147.08073	2.4
147.11670	55.1
148.12013	0.9
149.09596	2.0
151.07507	1.0
152.54097	0.4
156.09337	0.9
156.99030	0.8
161.09634	3.8
161.13239	9.8
163.03824	0.5
163.11171	1.1
165.12741	1.0
171.11674	20.4
172.11961	0.5
179.14313	0.7
184.00140	0.8
189.12717	11.8
190.12912	0.5
191.08554	0.5
192.09239	1.4
207.06589	0.7
207.09917	0.7
207.11668	2.0
207.13750	19.5
229.31093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03928	4.4
55.01867	2.7
55.05509	12.0
56.96544	6.7
57.03411	2.7
57.07058	7.4
57.53469	1.8
59.04979	6.1
60.04105	1.7
62.70379	1.4
65.03902	1.7
67.05167	2.8
67.05499	38.5
69.03432	10.7
69.07059	8.9
69.33860	15.5
71.04977	7.0
71.08626	1.7
77.00607	1.6
77.03909	1.6
79.05482	14.2
81.03402	3.4
81.06623	2.3
81.07050	21.3
81.95795	1.6
83.04969	10.2
83.08595	2.2
85.02876	6.1
85.06535	9.6
91.04958	2.6
91.05474	32.1
93.07035	24.1
95.04979	12.7
95.08601	90.5
97.06496	4.0
98.20706	3.0
103.05468	3.3
105.03341	2.0
105.07021	35.9
107.04922	5.1
107.08587	28.9
109.06525	13.6
109.10139	11.4
110.66055	1.6
111.04418	3.4
112.26617	1.5
113.06026	3.5
115.96433	18.0
116.97212	8.0
117.06979	3.1
118.04149	3.6
119.04955	16.5
119.07784	3.1
119.08577	40.7
120.09328	1.4
121.06507	9.6
121.10138	25.6
123.04399	4.2
123.08060	71.0
123.11682	11.5
124.08327	1.8
125.09567	2.6
128.06172	2.2
129.06993	1.9
131.08548	8.1
133.06496	7.7
133.10107	13.3
133.97455	18.9
135.08009	4.3
135.11717	4.0
136.05202	2.6
137.05963	3.1
137.09575	11.6
137.13226	2.5
143.08485	5.0
145.10104	7.6
146.03607	3.6
147.04427	11.3
147.08012	9.7
147.11673	25.7
149.02403	7.5
149.09613	100.0
151.07553	12.7
151.14796	4.2
153.09090	1.7
156.09351	4.5
156.99054	3.8
159.11694	3.1
161.05930	4.2
161.09618	6.8
161.13246	24.3
163.03818	1.7
163.11157	5.4
164.04698	10.9
165.09120	3.6
165.12775	18.6
171.11691	11.9
174.10374	7.1
175.03889	6.9
179.07057	8.9
179.14304	4.6
184.00050	2.0
189.08981	2.0
189.12737	34.9
189.16360	5.4
192.04143	5.3
192.09276	3.3
207.06531	25.2
207.09998	3.9
207.13782	80.5
207.17345	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02377	1.5
53.03941	6.1
55.01862	1.7
55.05513	5.8
56.68532	0.7
56.96550	0.8
61.19800	0.6
65.03941	1.2
67.05500	22.5
69.03413	1.1
69.07069	6.3
69.86896	2.1
69.87301	1.6
71.04985	2.6
72.53020	0.6
75.00750	0.7
77.03915	0.8
78.21516	0.5
79.05490	41.3
81.03407	1.4
81.07054	20.6
83.04964	2.4
83.08614	2.4
85.06550	3.4
91.05479	51.4
92.05807	0.7
93.07040	100.0
95.04962	15.5
95.08601	7.5
97.06544	1.1
99.04482	0.8
99.10271	0.6
105.04570	3.2
105.05131	0.6
105.07028	26.1
107.04939	1.0
107.08590	9.4
109.06525	3.9
109.10167	0.8
115.96421	5.7
116.50319	0.7
116.97231	2.3
117.06994	4.6
118.06593	0.7
119.08580	16.2
120.04478	0.6
121.06489	2.7
121.10137	2.4
123.08054	4.9
125.08470	0.7
127.07580	0.8
128.06230	2.2
129.07013	8.8
131.08583	1.1
133.10115	5.2
133.97453	4.1
135.08092	0.7
143.08530	4.9
145.10144	7.1
147.08061	2.8
147.11682	52.6
148.11975	0.9
151.07536	0.8
156.09308	0.6
161.09610	3.2
161.13263	7.0
171.11693	17.4
175.04039	0.7
189.12752	11.9
207.06363	0.8
207.13779	17.4
207.17221	0.8
211.14400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1023
Annotation	Casuarine
Peak:m/z	Relative Intensity
51.88371	1.0
53.03932	2.1
55.01863	5.5
55.05496	4.3
56.05027	2.4
56.96564	19.0
57.03422	3.2
58.06580	4.8
59.04995	6.5
60.04520	2.9
60.05634	1.4
60.08161	1.2
61.02916	6.7
67.05486	2.1
69.03424	5.6
69.07050	4.5
70.02951	10.1
70.06587	7.1
71.04987	24.0
71.09332	2.6
72.04510	29.4
72.08153	3.7
72.93758	1.4
73.02914	18.3
73.06548	2.9
74.02435	3.6
74.06064	4.4
80.40178	1.0
81.03398	2.7
81.07035	1.9
82.06550	2.8
83.04942	2.4
84.04482	1.2
84.08143	11.7
84.08624	1.6
84.96032	1.1
85.02897	3.9
85.06559	2.4
86.06013	1.1
86.09700	11.1
88.03982	2.1
88.99155	1.0
89.06017	17.4
90.05546	100.0
91.05444	1.6
93.07034	1.3
94.06584	1.5
95.06078	1.5
96.08131	1.0
97.02302	5.3
97.02896	3.0
98.02405	12.4
98.06044	1.5
98.09596	1.1
98.97573	6.6
99.04449	9.4
100.03965	13.1
101.02380	1.1
101.05958	1.1
102.05517	1.7
106.01000	1.4
106.02821	11.3
107.04929	1.4
110.01247	1.6
110.06040	10.0
110.07144	3.7
112.99138	1.2
113.03623	1.8
114.03738	2.2
115.03355	8.7
116.03450	19.5
116.07085	3.6
116.98590	4.7
117.01881	1.5
117.05482	1.8
118.08654	4.2
119.01801	3.2
121.07632	1.1
122.04167	1.9
124.07523	1.6
126.00774	3.6
127.01516	1.4
127.03917	6.7
128.02307	1.8
128.03470	1.3
128.07062	30.7
128.98616	1.2
131.00160	4.4
131.01834	2.1
132.04442	1.2
133.03467	1.9
134.99631	3.8
136.07605	1.7
137.02859	4.2
142.06841	10.2
142.08597	2.7
142.12271	1.6
144.10185	2.8
146.02316	4.0
146.05960	2.2
146.08096	13.9
146.99628	1.7
147.03171	1.3
149.01208	6.1
150.96866	1.1
151.03900	1.2
152.02287	1.7
152.06981	1.6
155.00208	1.9
155.01556	1.2
155.02814	19.8
155.03984	1.4
155.53001	2.3
158.08076	1.2
160.04201	2.0
160.07765	7.8
160.09671	16.4
160.13303	12.0
161.02864	4.2
161.53065	1.4
162.09137	1.4
164.03368	6.4
164.06943	1.3
168.03720	1.2
170.03363	1.1
170.08109	21.4
176.10789	1.1
177.03999	1.2
178.05002	1.2
182.99644	2.9
183.02278	1.8
188.07468	5.0
188.09154	61.9
188.12727	1.8
190.98694	1.5
193.10880	4.3
201.00671	10.2
206.08347	12.8
206.10222	19.9
206.12045	2.3
206.13834	4.7
206.15225	5.8
208.99567	1.2
219.01691	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	206.0812
Annotation	Oxyhydrastinine
Peak:m/z	Relative Intensity
51.92435	0.5
53.03943	0.8
54.03466	0.6
55.01838	0.7
55.05498	1.6
56.05038	0.7
56.96576	3.9
57.03431	0.9
58.06573	0.6
60.04503	0.8
64.31084	0.5
65.03924	3.0
67.05496	25.7
68.05019	1.3
69.03412	2.2
69.07045	2.2
70.06574	1.9
70.29391	0.7
70.29744	2.0
71.04971	0.7
72.08150	1.4
77.03941	0.6
79.05123	0.6
79.05497	7.0
80.05006	1.2
81.07040	4.1
82.02937	4.3
82.06554	1.1
83.04944	0.6
83.06070	1.0
84.04497	2.2
84.08125	1.8
85.02887	1.4
86.09692	1.9
91.05472	5.8
93.05767	1.6
93.07026	1.8
94.06553	2.1
94.07396	0.6
95.04958	17.9
95.08572	1.3
96.04485	5.4
96.05731	1.6
97.02873	1.2
97.06498	1.1
97.07632	0.6
98.97568	2.1
103.05441	0.8
105.07011	5.0
106.06538	2.0
106.07230	0.6
107.04939	1.2
107.06129	0.6
107.07341	4.6
107.08582	2.1
108.08109	22.1
108.08860	1.1
109.02853	0.7
109.06509	0.7
109.10149	0.6
110.06041	6.9
110.07154	0.6
116.98631	3.2
117.05752	0.7
118.06532	1.3
118.07381	0.5
119.01916	0.8
119.04925	2.8
119.08570	2.3
120.08123	2.8
120.08847	0.8
121.06476	1.4
122.05998	2.6
122.06834	0.9
122.09661	6.7
123.08051	0.8
124.07556	0.7
127.03885	0.5
128.02356	0.6
132.04454	0.8
132.08058	1.2
133.06444	0.7
133.10088	1.1
134.06003	1.9
134.09630	1.3
134.99644	1.8
135.06757	2.4
135.07915	0.9
136.07477	0.9
139.07462	1.2
146.05983	1.2
146.07028	0.7
146.10463	0.9
146.99644	1.1
147.04453	2.6
147.08046	1.3
147.11613	0.9
148.07498	1.7
148.08598	1.0
149.02356	1.1
149.08218	0.8
149.09521	1.1
150.02679	0.8
150.09125	39.5
158.99648	0.9
160.07529	1.5
161.01245	0.7
161.09628	0.9
161.11952	0.6
163.09763	1.1
163.11163	0.5
175.03931	2.1
177.00595	0.9
178.08614	100.0
178.41254	0.5
179.08922	2.0
188.07162	0.7
188.09138	0.7
189.11292	0.6
189.12820	0.9
191.14287	1.9
192.04192	0.9
201.00694	0.7
206.08109	67.9
206.11821	4.1
206.15396	1.7
206.19096	1.0
207.06514	2.4
207.08340	1.3
207.13757	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03937	7.7
55.01857	5.5
55.05514	16.0
56.05031	2.5
56.96545	5.5
57.03432	4.8
57.07048	6.0
59.04984	2.8
60.04504	5.3
61.46575	1.9
62.66007	2.1
65.03923	6.3
67.05502	19.4
68.99790	7.2
69.03423	68.2
69.07050	7.3
69.99559	8.6
70.06573	3.5
71.04974	6.3
72.08132	6.2
73.02911	2.8
79.05482	14.8
81.03410	10.8
81.07054	14.6
82.06539	2.5
83.04955	16.1
83.08617	5.0
84.08126	6.3
85.02897	11.2
91.05476	46.5
93.07042	43.1
95.04975	20.5
95.08593	13.1
96.04517	2.6
97.02891	11.2
97.06509	3.1
99.04429	4.0
103.05452	10.2
105.04480	2.6
105.07026	41.9
107.04953	7.0
107.08578	26.9
108.73430	2.0
109.02857	6.0
109.06489	5.9
109.10104	3.3
110.07877	2.3
111.04409	3.3
115.03936	2.0
115.05434	9.7
116.06201	3.8
116.98595	2.6
117.07011	26.6
118.06525	7.2
119.04941	3.4
119.08579	38.8
120.08092	8.3
121.02838	7.2
121.06504	48.1
121.10126	17.2
123.04436	5.3
123.08048	5.3
125.05978	2.7
127.03902	6.0
128.06166	3.1
129.06992	22.0
130.07774	6.2
131.04921	6.8
131.08572	36.3
133.06517	5.1
133.10123	12.2
134.07114	4.7
134.99629	4.0
135.08025	23.2
135.11679	24.3
142.07700	2.8
143.08536	5.3
144.05655	3.2
144.08138	4.0
144.09299	29.9
145.06454	9.3
145.10117	27.5
146.03429	2.3
146.06039	13.1
146.96054	2.4
147.08018	17.5
149.02339	40.5
149.05978	99.7
149.09598	8.2
149.13223	7.2
153.00706	2.9
157.06401	3.4
157.10060	3.4
158.96259	2.6
159.04401	5.7
159.08093	12.8
159.11676	84.9
160.07555	3.1
161.05968	3.0
161.09581	13.6
162.10391	3.3
163.07524	9.4
163.11169	21.0
169.10130	2.2
172.08830	16.9
174.02968	4.3
175.07495	3.8
177.00587	3.0
177.05382	3.1
177.09016	4.6
177.12740	27.1
178.08649	3.8
187.03912	5.8
187.07420	2.7
187.11171	30.0
188.07031	10.2
201.00581	4.7
205.04927	5.1
205.06827	4.6
205.08707	6.9
205.12234	100.0
205.13940	4.1
205.15999	5.9
206.08163	6.1
219.01759	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	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03943	2.5
55.01868	1.2
55.05518	2.0
55.93541	0.4
56.96567	2.5
57.03426	1.0
57.07062	1.8
57.47328	0.4
60.04513	1.8
65.03946	0.9
67.05497	1.9
68.05018	0.4
69.03426	4.1
69.07059	1.1
69.60136	0.9
69.60545	2.6
70.06581	0.6
70.49799	0.4
71.04990	1.3
72.08141	2.1
72.93774	0.6
77.03914	0.6
79.05497	3.0
80.42714	0.3
81.03397	1.8
81.07058	2.0
83.04985	2.2
83.08607	0.8
84.04514	0.6
84.08147	1.1
85.02901	2.0
85.06527	0.7
88.55867	0.4
90.94817	0.4
91.04900	0.6
91.05474	19.8
93.07035	59.6
95.04964	8.7
95.08586	1.8
97.02899	2.8
97.06495	0.5
98.21479	0.8
98.97583	1.1
99.04452	1.1
100.02688	0.4
103.05461	3.8
105.04504	1.1
105.07017	6.1
107.04945	1.9
107.08578	3.9
109.02884	1.5
109.06512	1.8
109.07652	0.7
115.05434	1.5
116.98592	1.0
117.07010	3.9
118.06541	1.2
119.04907	0.6
119.08569	5.1
120.08123	0.9
121.02876	1.1
121.06493	100.0
121.10109	2.5
122.06844	0.9
122.96519	0.6
123.04409	0.5
127.03902	1.2
128.06215	0.5
129.06981	2.2
130.07736	0.8
131.04913	1.1
131.08568	4.2
131.97469	0.5
132.08067	0.8
133.06493	1.0
133.10133	2.1
134.09630	0.7
134.99669	0.6
135.04408	0.7
135.08046	3.5
135.11688	2.4
136.08708	0.4
141.06921	0.9
143.08540	1.0
144.05745	0.6
144.08165	0.7
144.09230	2.1
145.06514	2.1
145.10098	5.0
146.06047	2.8
146.07083	0.7
147.04404	0.8
147.05487	0.7
147.08066	2.3
148.08669	0.5
149.02328	9.6
149.05972	1.4
149.07086	0.5
149.09625	1.5
149.13284	0.5
150.96956	0.6
157.06497	0.4
157.10143	0.6
158.07208	0.8
159.08049	3.1
159.11699	9.9
160.07492	0.4
160.08748	0.5
161.05995	1.0
161.09605	1.6
162.10344	0.8
163.03874	0.6
163.07553	1.6
163.11168	3.7
164.50949	0.4
172.08792	1.7
175.07454	0.5
175.11183	0.8
177.05533	0.8
177.09140	0.9
177.12766	3.5
181.97795	0.7
187.03926	0.8
187.07584	0.9
187.11182	4.4
187.14923	0.6
188.06985	2.4
205.04880	1.0
205.06674	1.2
205.08774	2.5
205.12233	19.9
205.15962	0.8
205.19579	0.6
206.08313	0.5
206.11803	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	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
50.34592	0.2
53.03933	0.4
55.01853	0.4
55.05503	0.5
56.96560	1.6
57.03424	0.4
57.07059	0.6
58.01115	0.2
60.04513	1.2
65.03931	0.5
65.35118	0.2
67.05487	0.3
69.03413	0.8
69.07053	0.2
70.02940	0.3
70.06586	0.4
71.04960	0.2
71.43404	0.3
71.43726	0.3
72.08126	0.8
72.93774	0.3
73.02901	0.5
74.02399	0.3
79.05473	0.5
81.03399	0.7
84.04464	0.5
84.08128	0.7
85.02886	1.1
88.03983	1.4
90.94788	0.4
91.05469	1.4
93.07041	0.7
97.02908	1.4
98.97568	0.6
99.04430	0.4
100.45879	0.2
103.05458	0.4
104.31876	0.3
105.07009	4.0
107.04945	0.5
107.08551	0.5
109.02924	0.5
109.06480	0.3
114.05528	0.3
115.05444	8.4
116.04925	0.3
116.98599	0.7
117.05750	4.0
117.07021	1.0
118.06536	2.8
119.04959	0.4
119.07311	15.3
120.08130	0.5
120.94750	0.3
121.01723	0.2
121.02853	0.9
121.06490	1.3
123.04406	0.3
127.03852	0.3
129.07001	0.4
130.06516	1.2
131.08479	0.3
132.08078	29.4
132.95776	0.3
133.08405	0.5
134.99608	0.4
142.06508	8.7
142.07642	0.5
143.07237	0.3
144.08055	0.5
145.06409	0.3
145.10049	0.6
146.05991	2.6
147.07942	0.3
149.01241	0.2
149.02325	4.1
149.05965	0.3
150.96822	0.5
158.08487	0.3
158.96266	0.3
159.09161	100.0
160.07567	2.1
160.09547	1.4
161.04597	0.3
162.73340	0.2
163.02765	0.3
163.11234	0.4
170.05949	0.4
178.05003	1.7
181.03926	0.4
181.97945	0.4
182.89565	0.3
187.11192	0.4
188.07033	1.9
192.21844	0.2
205.05040	0.4
205.06764	0.6
205.09708	7.5
205.12166	1.3
205.15916	0.4
206.04486	1.2
206.08066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96743	0.3
53.03944	2.7
53.95807	0.3
55.01865	0.6
55.05506	100.0
56.05025	0.5
56.05833	0.7
56.96565	2.2
57.03429	0.3
57.07070	0.9
58.99582	6.9
60.04509	1.3
61.04202	0.3
65.03952	0.5
67.05509	0.5
69.03425	1.0
69.07047	0.4
69.79064	1.3
70.06589	0.5
71.05003	0.5
72.08146	0.9
74.06108	0.3
77.97324	0.3
79.05486	0.8
81.03411	0.6
81.07021	0.5
83.04983	0.4
83.08611	72.4
84.08137	0.7
84.08930	1.0
85.02911	1.3
86.99046	7.8
91.05474	1.4
93.07042	1.2
95.04953	0.8
95.08600	0.5
97.02892	1.2
98.97609	0.3
99.04436	0.4
101.09631	2.1
103.05465	0.5
105.00087	4.5
105.07014	1.4
107.04926	0.8
107.08575	0.8
109.02881	0.7
109.06554	0.4
109.10213	0.3
116.50666	0.3
117.07010	1.2
118.06531	1.0
119.08569	1.0
120.08070	0.8
121.02833	0.8
121.06486	1.3
121.10101	0.6
122.96461	0.4
127.03887	0.6
129.06932	0.5
131.04910	0.6
131.08519	0.7
133.06509	0.4
133.10089	0.3
135.04398	0.3
135.07983	0.8
135.11691	0.7
145.01529	0.3
145.06447	0.9
145.10109	0.8
146.05988	1.7
146.07022	0.3
147.08000	0.6
149.02328	4.5
149.05949	0.6
158.07211	0.3
159.04370	0.4
159.08009	0.8
159.11636	1.7
163.07497	0.4
163.11160	0.7
170.06003	0.4
177.12709	1.0
187.11162	0.6
188.06999	1.7
201.00656	1.1
205.04912	0.4
205.06781	0.6
205.08678	1.0
205.12253	2.8
205.15869	0.3
206.08072	0.4
206.09978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.3
55.01846	6.4
55.05494	4.7
56.96554	2.6
57.03435	14.0
57.07057	3.7
60.04520	3.6
61.02927	16.6
61.61098	2.4
61.76854	2.3
67.05490	6.1
69.03423	76.5
69.07047	3.7
71.01353	4.0
71.04981	12.7
71.59911	3.7
71.60305	2.7
73.02908	19.2
74.03006	2.6
74.25668	2.4
79.05484	8.6
81.03408	66.0
81.07050	10.1
83.01338	3.7
85.02898	100.0
91.05456	11.3
93.07029	12.2
95.04949	5.1
95.08614	4.6
97.02882	40.1
97.06509	3.3
99.04446	21.0
101.02379	4.2
103.03917	4.0
105.07016	18.6
107.04931	5.2
107.08588	7.3
109.02871	35.6
109.06498	2.8
115.05396	4.1
117.07007	8.7
119.08577	9.4
121.02854	2.8
121.06508	14.0
121.10133	7.1
127.03910	58.3
129.06921	3.7
129.08521	2.6
130.07759	3.9
131.05013	3.0
131.08560	10.5
133.10080	4.8
135.07990	2.7
135.11684	5.5
144.09323	4.0
145.04947	16.8
145.06470	5.4
145.10091	29.7
147.08005	2.9
149.02327	32.0
149.09554	7.5
149.13167	3.3
159.11687	18.7
161.13202	3.1
163.11165	8.7
177.09001	2.9
177.12691	8.3
186.16809	2.4
187.05989	16.0
187.11179	7.7
188.07021	3.4
205.04936	3.4
205.06870	5.0
205.08760	9.2
205.12253	31.2
205.14151	5.6
205.15804	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	205.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.4
55.01869	8.6
55.05494	6.7
56.96562	4.8
57.03434	23.7
57.07058	7.2
57.53910	3.7
60.04520	6.1
61.02924	19.9
67.05504	7.7
69.03426	85.9
69.07056	5.2
69.50330	16.3
69.50757	18.7
71.04985	13.8
72.08135	4.4
73.02900	21.1
79.05474	9.8
81.03418	85.1
81.07041	9.8
83.05003	4.3
85.02898	100.0
87.04453	5.9
91.05467	16.6
91.77049	3.6
93.07060	20.6
95.04973	8.2
95.08587	7.1
97.02891	58.9
98.03208	4.8
98.21514	7.0
99.00817	3.8
99.04449	32.8
101.02400	4.8
103.03954	6.3
105.07040	22.4
107.04945	5.0
107.08584	17.1
109.02884	42.3
109.06470	6.2
115.03986	6.6
115.05505	4.3
115.71416	3.7
117.07014	16.0
119.00032	4.5
119.08572	23.4
121.02863	5.8
121.06507	22.6
121.10155	11.4
127.03919	59.6
127.05793	3.7
129.06995	4.3
131.08606	9.9
132.08112	5.0
133.10074	5.3
135.08029	11.7
135.11649	8.6
144.09314	4.6
145.04926	19.5
145.06467	8.0
145.10133	50.8
147.08029	6.6
148.28418	3.5
149.02328	42.1
149.05881	6.9
149.09637	8.3
159.11668	29.5
160.07532	10.1
161.09627	8.6
163.11197	9.8
176.24260	4.1
177.12677	7.5
180.48050	4.1
187.06030	13.2
187.11232	10.1
187.14897	5.2
190.09805	4.6
205.08682	11.1
205.12273	54.2
205.14090	9.2
205.15895	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	205.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.4
53.13484	2.2
55.01857	7.0
55.05501	7.2
56.96563	25.1
57.03435	12.3
57.07075	3.4
59.38556	2.1
60.04500	2.6
61.02906	10.6
65.03923	4.8
67.05489	6.0
69.03424	81.5
69.07052	5.2
71.04976	11.7
71.59728	2.6
73.02910	13.4
79.05480	15.9
81.03410	100.0
81.07056	14.7
83.01379	2.4
83.04974	5.7
84.32589	2.3
85.02418	4.2
85.02896	62.6
87.82836	2.4
88.84921	2.1
91.05472	17.4
93.07034	20.6
95.04942	8.6
95.08588	9.0
97.02882	34.0
97.06525	3.3
98.97575	42.3
99.04447	20.4
101.02299	3.1
103.05465	3.8
105.07027	18.5
105.13730	2.2
107.04943	11.4
107.08581	34.2
109.02863	31.4
109.06512	5.6
109.10136	6.9
110.97536	3.1
115.03102	2.5
115.03867	4.4
115.05444	7.4
116.98606	49.4
117.07003	10.8
119.08556	14.2
121.02826	4.6
121.06503	15.1
121.10111	11.5
123.08067	4.8
127.03043	3.9
127.03909	35.6
128.98608	5.1
129.07033	4.8
131.08559	10.8
133.10127	14.2
134.99638	37.8
135.04424	2.7
135.08046	9.5
135.11696	3.8
137.09566	16.6
143.08481	3.2
145.04947	11.1
145.06451	8.8
145.10103	22.3
146.99649	16.0
147.08003	4.4
147.11679	7.6
149.02328	21.9
149.05930	2.9
149.09633	3.7
149.13226	5.1
153.00783	3.6
158.99612	12.8
159.08075	4.6
159.11705	18.5
160.07576	5.2
161.09544	5.2
163.11137	7.7
164.37521	2.6
165.00726	2.7
170.99646	2.8
173.05890	3.5
177.00714	24.4
177.09178	2.7
177.12788	3.7
187.06027	13.3
187.11160	9.5
187.14809	3.0
189.00612	3.1
191.14279	20.7
205.04900	5.4
205.06822	4.3
205.08543	3.8
205.12233	29.6
205.14140	4.8
205.15865	10.7
221.60493	2.7
221.62674	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	203.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84926	0.3
53.03953	0.4
55.05513	0.9
56.05021	1.2
56.96558	3.2
57.03440	0.9
58.06591	1.1
58.99580	0.4
59.04959	0.4
60.04523	3.5
61.01152	0.4
67.99490	0.4
68.05018	1.6
69.03416	0.6
69.07056	1.1
70.06575	2.3
71.04993	0.7
71.50995	0.7
72.08144	2.6
72.93764	0.5
73.02916	0.7
74.34084	0.4
77.03941	0.4
81.07058	0.5
82.06603	0.5
83.01391	0.4
84.04504	2.5
84.08134	4.7
85.02899	0.9
85.04810	0.4
85.06531	0.4
85.08475	0.4
86.09698	71.8
87.10043	1.4
90.05565	0.6
91.05499	0.5
92.59669	0.5
95.04955	0.5
96.04480	2.1
97.02866	2.6
99.04462	0.5
102.05608	0.4
105.07040	0.6
107.49329	0.4
110.06031	0.6
110.07156	1.2
112.11229	4.9
114.05504	2.2
114.09171	0.4
115.03938	0.4
116.07110	1.0
116.98598	0.4
119.01848	1.0
120.96507	0.6
126.05496	2.2
126.09126	0.5
127.03873	0.4
129.10236	0.8
129.13853	2.4
130.06514	60.1
131.06017	1.1
131.06848	1.8
132.04424	0.7
132.08070	0.6
132.10220	2.5
134.99580	0.6
138.05487	0.9
140.04939	1.0
142.08656	0.5
150.96844	0.9
156.06693	0.8
157.07597	100.0
158.05971	1.1
158.08012	4.1
161.02969	0.8
184.09781	0.4
185.07115	4.7
186.07570	0.6
203.05486	2.5
203.08141	55.1
203.13925	1.3
204.08560	4.4
204.13751	0.5
223.01282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05503	1.9
56.05030	1.9
56.96560	1.0
57.03435	0.5
57.07072	0.4
58.06591	2.3
60.04519	5.0
61.01133	0.4
61.02904	0.4
63.23609	0.2
63.92144	0.2
67.05497	0.7
68.05019	2.5
69.03432	1.0
69.07058	1.4
70.06586	5.1
71.04987	2.0
71.06102	0.4
71.06918	0.4
71.07357	0.2
71.59266	0.3
72.04505	0.8
72.08148	100.0
72.93767	0.3
73.02898	0.3
73.06535	0.3
73.08481	0.9
74.06056	0.3
76.36423	0.2
79.05504	0.6
81.04562	0.2
81.07045	0.7
82.06579	0.4
83.05004	0.2
83.06080	0.3
84.04496	2.7
84.08136	7.2
85.02903	1.4
85.08463	0.4
86.06094	0.6
86.09697	23.6
87.04475	0.4
87.09209	0.4
87.10039	0.4
88.03992	0.5
88.07620	1.4
88.08745	0.3
89.96342	0.2
90.94824	0.3
91.05493	0.4
93.07063	0.3
94.06595	0.2
95.08602	0.3
96.04475	2.7
96.08137	0.9
97.02883	3.1
98.06040	0.7
98.09683	1.4
98.97581	0.3
99.04450	0.5
100.07642	0.3
104.05342	0.3
105.07027	0.9
107.08558	0.2
108.95875	0.3
109.02915	0.4
109.10168	0.3
110.06036	0.7
110.07174	0.9
110.09715	0.4
112.07598	0.5
112.11233	11.1
114.05522	3.2
114.09158	9.2
114.09964	0.4
115.03924	0.8
115.08719	0.3
116.07095	0.6
116.98627	0.4
119.01942	1.0
119.08570	0.6
120.08113	0.9
120.96513	1.1
126.05524	2.4
127.03908	0.4
127.55477	0.2
128.06256	0.3
128.07150	0.3
129.10237	0.7
129.13867	6.5
130.06514	0.7
130.08659	0.9
131.06828	0.2
131.11798	0.5
132.10191	11.1
133.10120	0.5
134.99664	0.6
137.02916	0.3
138.05466	0.6
138.99008	0.2
143.03357	0.3
144.08118	0.8
146.05859	0.3
147.07951	0.3
147.11496	0.3
149.01268	0.2
150.96907	0.4
156.06569	0.5
156.96428	0.2
157.07623	1.0
157.13348	2.7
158.06155	0.3
158.11775	0.7
159.12073	0.6
160.09744	0.5
161.01218	0.3
161.02887	0.6
161.09644	0.3
162.07745	0.3
163.08559	0.7
168.06577	0.8
168.13831	7.7
168.15184	0.5
170.10881	0.3
179.97838	0.9
185.09587	0.2
185.13339	0.4
185.16476	3.8
186.07718	0.9
186.14865	2.9
186.16336	0.3
203.05295	2.8
203.06786	0.3
203.08188	0.9
203.10724	0.8
203.14008	1.0
203.17566	1.0
203.22354	0.7
204.06810	0.5
204.08591	2.0
204.13905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11296	2.6
56.96551	9.5
57.03419	9.1
58.06591	10.9
60.04507	5.9
61.02909	6.3
62.65477	2.5
69.03410	9.8
70.06584	91.1
70.22775	1.9
71.04990	2.3
71.06114	20.2
72.08141	29.3
73.02918	19.1
74.06069	3.0
81.03420	4.9
84.08131	40.0
85.02895	14.7
86.09219	3.0
86.09702	35.8
88.08743	30.2
94.02618	2.1
96.04462	2.3
97.02860	10.6
98.97564	5.1
100.07603	6.3
101.00838	5.4
102.02400	5.2
103.03223	2.6
111.02918	5.4
112.11228	84.6
115.03261	2.2
115.08725	3.5
116.02501	2.3
116.07069	40.9
116.98589	3.4
117.02972	3.6
119.01902	27.8
121.01641	2.7
123.02891	2.9
127.03934	2.8
128.02223	4.2
128.98633	2.3
129.13863	50.5
131.01912	8.3
132.03433	3.7
133.03441	9.8
137.02911	10.3
138.03416	6.2
143.01907	13.0
144.03407	3.9
145.03418	5.3
146.99649	2.4
147.03975	3.9
149.01175	4.3
149.02919	4.7
153.03978	4.9
155.01904	5.6
157.03450	6.8
157.07588	4.2
158.09282	5.0
158.12860	17.9
161.02953	40.2
167.80286	2.2
173.01656	3.7
173.02876	16.4
175.04555	4.1
183.05014	3.4
185.02963	5.2
192.05412	2.4
203.05283	100.0
203.08101	4.3
203.15038	52.0
203.22308	8.2
218.91119	2.5
219.01871	2.5
221.04987	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	201.1635
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05497	3.1
56.96552	3.8
57.07064	2.9
57.37753	1.3
57.93563	2.1
59.93104	10.6
67.01297	1.2
67.05494	8.3
69.07049	5.2
70.06584	2.2
70.54984	2.8
71.04964	1.4
77.94146	4.2
79.05493	8.4
81.06571	2.1
81.07050	38.0
83.08575	1.5
84.08145	1.9
87.04426	1.5
91.05471	13.5
91.56750	1.2
93.07040	26.3
95.04955	3.3
95.08607	14.2
95.95157	2.2
98.20863	1.2
100.95649	1.3
105.07023	26.6
107.08582	24.6
109.06462	1.9
109.10121	5.6
114.05488	1.4
115.05492	1.6
116.06199	1.5
116.98637	1.5
117.07012	12.0
118.96751	58.5
119.08579	17.9
119.96886	1.3
121.10130	10.3
123.08046	1.2
127.03944	2.0
129.06967	5.1
130.07764	5.4
131.08562	26.8
132.96683	2.5
133.10143	7.4
133.99109	12.5
134.99660	2.0
136.95418	1.7
141.98334	4.3
143.08527	6.8
144.09332	4.8
145.10114	80.7
146.10675	3.2
146.97363	1.4
150.95767	7.2
154.96461	19.5
155.08517	2.1
157.00650	1.8
157.10112	5.9
158.10916	2.2
159.11684	57.2
159.97003	3.7
160.12073	1.8
162.50911	1.6
167.97501	1.4
168.09485	1.3
169.99037	1.6
171.11626	3.8
172.12430	2.0
172.97559	6.7
173.09587	2.0
173.13249	10.9
173.97278	1.4
177.98042	38.9
186.14050	3.7
199.14908	1.8
200.99695	5.9
201.09024	1.7
201.12640	4.1
201.16370	100.0
202.16727	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	203.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01863	9.0
55.05502	3.4
56.65255	1.9
56.96566	8.7
57.03428	24.0
59.04997	2.7
60.04528	3.2
61.01139	2.2
61.02931	17.5
69.03423	24.4
69.07069	3.4
70.06589	72.5
71.05000	5.6
71.06111	15.8
71.58907	3.1
72.04506	4.1
72.08144	20.8
73.02914	43.2
77.50981	2.1
81.01894	3.2
81.03434	7.3
81.07029	2.3
82.99871	2.6
84.04518	3.5
84.08134	11.4
85.02896	39.0
86.09698	68.6
86.17673	2.1
87.04514	3.0
88.02689	5.0
88.08749	24.7
94.02680	3.8
96.02400	2.7
97.02869	28.3
97.03400	2.0
98.97604	4.9
99.04438	5.7
100.02658	4.9
100.07616	31.3
101.00880	22.6
102.02441	9.8
103.02471	2.9
103.03184	2.6
105.00346	2.2
105.02930	2.6
108.02405	5.1
109.03151	3.3
111.02945	7.9
112.02652	2.4
112.08800	2.8
112.11255	12.1
113.00903	2.7
114.02418	3.2
115.02461	4.8
115.62197	2.2
116.07094	34.2
116.98622	4.6
117.02969	5.0
119.01910	89.4
120.02155	3.5
120.03447	5.6
121.01684	9.8
123.02937	9.0
126.09187	3.0
127.02458	2.6
127.03944	7.4
129.02939	6.1
129.03989	2.1
129.10240	2.3
129.13893	9.1
130.06554	4.7
131.01904	29.8
131.02654	1.5
132.03413	11.7
133.01584	3.0
133.03438	16.9
134.99707	3.0
135.03185	4.2
137.01938	4.8
137.02977	16.4
138.03429	12.7
139.02664	4.0
141.04002	6.0
143.01892	37.7
144.03455	6.3
145.03371	14.0
145.05032	2.2
147.01396	3.7
147.03969	6.2
147.05070	2.6
149.02980	5.3
151.04500	3.1
153.04012	7.4
155.01860	19.6
157.03421	17.7
157.07607	11.4
158.09267	5.2
158.12897	15.2
159.05113	3.5
161.02946	94.4
163.04657	3.7
167.01956	3.5
171.05077	3.0
173.02953	46.1
173.04308	3.3
174.04495	4.1
175.02991	2.2
175.04587	9.2
177.02449	2.3
177.06094	3.4
179.04105	3.9
180.05127	2.4
183.05032	5.3
184.04657	2.8
185.02901	23.2
187.04517	4.0
191.04060	6.8
192.05580	5.4
193.03734	2.1
201.06140	4.2
203.05354	100.0
203.08136	5.0
203.15144	38.9
204.12303	2.7
215.04147	5.0
221.03342	2.4
221.05124	15.6
221.60332	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	201.1637
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
51.52038	0.3
54.14700	0.2
56.96552	0.6
57.03427	0.3
57.06857	0.3
57.07071	2.8
59.93096	0.8
67.05482	0.8
69.07072	0.5
70.64463	0.5
70.64862	1.0
71.08627	5.6
77.94139	0.7
79.05484	0.8
81.06617	0.3
81.07021	1.4
88.78268	0.4
91.05471	3.8
93.07024	0.7
95.08563	0.7
100.91478	0.3
103.05441	0.6
105.07024	13.4
106.07394	0.3
107.08608	0.4
109.10168	0.3
115.05437	0.7
116.06217	0.7
117.07011	5.9
118.95969	0.5
118.96763	7.2
118.97624	0.4
119.08567	3.0
121.10138	0.3
128.06187	0.6
129.07010	1.8
130.07784	6.3
131.08560	23.6
132.08894	0.7
133.10077	0.8
133.99098	1.5
136.95407	0.3
143.08536	3.4
144.09352	2.9
145.10112	100.0
146.10464	2.4
150.95717	0.5
154.96451	2.1
157.10094	1.6
158.10913	0.5
159.11687	29.4
159.97006	0.4
160.12003	0.8
165.66469	0.3
172.97505	0.5
173.13246	1.3
177.98026	4.2
201.12720	0.6
201.16379	10.9
202.16647	0.4
208.91037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03950	1.0
55.05508	1.4
57.03424	0.9
57.07073	3.8
59.93105	4.2
67.05507	4.4
69.07060	2.4
69.29033	1.0
69.29375	7.0
71.08627	4.6
77.94147	1.8
79.05488	3.4
81.07050	7.6
83.08572	0.7
91.05472	7.5
93.07043	8.6
95.04996	1.1
95.08598	7.3
96.12321	0.6
103.05446	0.7
105.07024	21.9
107.08590	8.1
109.06504	1.1
109.10149	4.6
114.05469	0.7
116.06171	0.6
117.06993	9.2
118.96757	20.0
119.08566	12.7
121.10157	4.4
128.06184	0.9
129.06955	4.0
130.07770	6.3
131.08557	28.4
133.10130	3.3
133.99089	4.9
136.95349	1.0
138.69086	0.6
141.98329	1.7
142.07799	0.8
143.08540	4.8
144.09338	4.5
145.10109	100.0
146.10532	2.6
147.11792	0.8
150.95726	3.3
154.96451	7.0
157.10136	3.1
158.10904	4.6
159.08081	1.3
159.11681	43.8
159.96944	0.8
160.12132	1.3
171.11679	1.9
172.97578	2.2
173.09705	0.9
173.13252	36.3
174.13623	0.8
177.98056	17.0
186.13977	0.7
200.99635	2.6
201.12726	4.7
201.16368	47.3
202.10600	0.8
202.16737	1.3
208.52162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05509	1.7
55.93526	0.4
56.05025	1.0
56.96559	5.9
57.03433	1.0
57.07070	0.5
58.06588	2.0
59.06119	0.9
59.06926	0.5
59.93110	0.7
60.04523	0.8
61.02925	0.4
64.09078	0.4
65.93188	0.4
67.05502	1.1
68.05033	1.1
69.03427	1.7
69.07068	3.0
70.02947	0.8
70.06585	100.0
71.05002	0.9
71.06924	0.9
71.60132	0.5
72.04527	0.3
72.08146	1.9
72.93779	0.8
73.02917	0.7
74.06081	0.5
75.10046	0.4
77.94170	0.4
79.05485	0.8
81.03429	0.5
81.07056	1.7
82.06590	0.6
82.51537	0.3
83.04993	0.4
84.04504	1.2
84.08150	2.5
85.02908	1.2
85.04023	0.4
86.06066	0.7
86.09698	10.0
87.05592	1.1
87.10046	0.9
88.07611	0.3
90.94838	0.5
91.05476	0.9
93.07042	1.1
94.06582	0.4
95.04944	0.8
95.06088	0.5
95.08623	0.6
96.04490	0.4
96.08109	2.1
97.02904	1.3
97.06538	0.5
97.10152	0.3
98.02413	1.2
98.06075	0.7
98.97579	4.4
99.05581	0.4
100.04008	0.3
102.05534	0.4
103.05473	0.6
105.07043	1.1
107.04962	0.4
108.04466	0.5
108.95847	0.5
109.06529	0.4
109.07661	0.5
110.07142	0.5
110.09698	0.8
111.04462	0.3
111.09148	0.3
112.07619	0.6
113.10794	0.6
114.05575	0.4
116.97234	1.1
116.98595	6.1
117.07072	0.4
118.96764	4.6
119.01860	0.5
119.04951	0.4
119.08571	0.8
122.06001	0.5
124.07604	2.3
125.05995	0.4
125.07124	1.0
126.12772	0.5
128.02296	0.9
128.10797	0.4
129.10255	0.8
131.04967	0.4
131.08553	0.4
131.97411	0.6
133.99101	1.2
134.99644	10.8
136.07591	0.5
136.11162	0.3
137.06044	0.4
138.09119	1.6
140.07095	0.7
140.08125	0.3
141.09225	0.5
141.10188	1.6
143.08537	0.5
145.06575	0.7
145.10194	0.5
146.99686	1.0
149.01260	0.3
150.95738	0.8
150.96892	0.6
153.00702	3.7
153.96692	0.7
154.96463	1.6
155.11798	1.2
156.10211	0.4
157.09860	0.5
158.01233	0.7
158.97429	0.4
158.99680	0.7
159.08087	0.4
161.01266	0.3
173.12920	0.4
176.98575	1.0
177.00746	1.2
177.57166	0.4
177.98038	3.3
179.86093	0.3
182.08098	1.0
183.11427	0.6
189.00850	0.4
189.05969	0.5
200.05438	0.5
200.07359	0.6
200.09221	1.2
200.12898	1.4
200.14487	0.3
200.18974	1.9
200.99724	0.3
201.05470	0.7
201.09128	0.5
201.12714	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	200.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.05505	3.0
56.05036	0.9
56.96560	4.2
57.03426	1.3
57.07077	0.9
57.23472	0.6
59.05005	3.1
61.02918	6.8
68.05030	1.5
69.07066	3.3
70.06586	76.9
70.95844	0.7
71.04985	24.7
71.06917	0.7
71.32784	1.2
72.08148	9.4
72.93773	1.3
73.02923	1.1
74.09722	0.8
79.05495	3.3
81.07049	17.1
82.06543	0.7
83.06102	1.2
83.07340	0.7
84.04501	2.0
84.08142	3.5
85.06544	1.4
86.06029	1.4
86.09689	1.2
87.08088	2.7
88.07669	0.8
90.94810	0.9
95.04968	1.3
96.08131	1.6
97.02901	0.8
97.08896	1.2
98.06026	1.2
98.09676	1.1
98.97572	5.6
99.08149	0.8
105.07007	0.7
110.07146	0.7
112.11257	0.9
113.06004	1.3
116.97204	2.0
116.98607	7.9
118.96781	6.3
124.11200	5.1
126.12778	100.0
127.13158	1.2
133.99069	1.5
134.99634	10.2
138.09198	0.6
140.10683	18.2
141.05060	1.2
141.06735	0.7
142.12259	59.6
143.12614	0.7
153.00696	2.2
153.96712	1.2
154.96455	2.0
156.13731	1.3
156.39264	0.7
158.01184	0.6
168.13832	12.0
175.98552	0.8
176.98680	1.2
177.98015	4.9
182.11749	1.5
200.07124	1.1
200.12791	29.3
200.16446	25.1
200.19012	1.2
201.06610	0.7
201.13202	0.9
202.51224	0.6
219.89427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01863	16.0
55.05508	59.6
57.03423	5.0
57.07059	4.9
57.93552	2.3
58.06594	1.5
59.04985	5.5
59.06126	2.2
63.79423	1.4
65.03927	1.5
67.05495	35.9
69.03428	18.4
69.07063	70.1
69.65581	1.0
70.06568	1.6
70.07401	1.8
70.07841	2.3
71.04982	14.4
71.59476	1.4
72.04500	2.1
72.08142	2.4
73.02907	10.5
74.09709	8.0
75.94613	2.6
76.88071	1.1
79.05063	1.6
79.05489	19.7
81.07056	35.1
81.70759	1.2
82.07393	1.5
83.04974	19.2
83.08602	6.6
84.08135	2.4
84.08933	1.4
85.02428	1.6
85.02905	23.7
85.06537	30.8
86.06031	1.3
86.09691	9.1
88.36665	1.2
91.05492	7.8
93.06460	2.4
93.07035	39.4
95.04951	3.3
95.08598	10.6
97.06528	29.1
97.10155	1.5
98.97572	2.7
99.04446	11.0
99.08054	3.3
100.07607	2.8
100.99719	1.5
101.02374	23.7
101.06012	40.5
105.03384	2.2
105.07038	6.3
107.04937	1.8
107.08583	24.0
109.06532	10.4
109.10146	19.7
111.04449	9.1
111.08072	40.6
113.06001	24.0
116.97211	24.5
116.98565	2.0
119.08579	12.3
121.06477	3.0
121.10134	78.1
123.04484	1.3
123.08068	3.1
123.11682	9.2
125.05145	0.8
125.05978	24.0
125.09665	1.5
127.07548	68.9
128.06204	2.1
128.99170	2.5
129.05478	9.9
129.06996	2.6
130.07832	1.4
131.00729	2.6
131.99533	5.3
133.10193	2.3
134.99625	3.3
135.08052	2.6
135.11681	27.2
137.09558	3.1
139.07555	8.3
139.11168	100.0
140.04617	1.7
142.07768	2.8
143.00710	3.6
143.08560	5.5
145.10130	16.9
148.96152	1.4
150.96852	1.6
152.96921	10.9
153.00693	1.5
153.12730	47.5
156.09297	2.4
157.02271	1.8
157.10081	6.6
157.97360	1.2
163.11179	26.6
170.97923	2.0
171.11734	2.5
175.98531	21.1
181.12215	39.1
199.07158	5.8
199.08975	1.5
199.11427	8.6
199.13284	17.3
199.14854	4.9
199.18886	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01863	16.0
55.05508	59.6
57.03423	5.0
57.07059	4.9
57.93552	2.3
58.06594	1.5
59.04985	5.5
59.06126	2.2
63.79423	1.4
65.03927	1.5
67.05495	35.9
69.03428	18.4
69.07063	70.1
69.65581	1.0
70.06568	1.6
70.07401	1.8
70.07841	2.3
71.04982	14.4
71.59476	1.4
72.04500	2.1
72.08142	2.4
73.02907	10.5
74.09709	8.0
75.94613	2.6
76.88071	1.1
79.05063	1.6
79.05489	19.7
81.07056	35.1
81.70759	1.2
82.07393	1.5
83.04974	19.2
83.08602	6.6
84.08135	2.4
84.08933	1.4
85.02428	1.6
85.02905	23.7
85.06537	30.8
86.06031	1.3
86.09691	9.1
88.36665	1.2
91.05492	7.8
93.06460	2.4
93.07035	39.4
95.04951	3.3
95.08598	10.6
97.06528	29.1
97.10155	1.5
98.97572	2.7
99.04446	11.0
99.08054	3.3
100.07607	2.8
100.99719	1.5
101.02374	23.7
101.06012	40.5
105.03384	2.2
105.07038	6.3
107.04937	1.8
107.08583	24.0
109.06532	10.4
109.10146	19.7
111.04449	9.1
111.08072	40.6
113.06001	24.0
116.97211	24.5
116.98565	2.0
119.08579	12.3
121.06477	3.0
121.10134	78.1
123.04484	1.3
123.08068	3.1
123.11682	9.2
125.05145	0.8
125.05978	24.0
125.09665	1.5
127.07548	68.9
128.06204	2.1
128.99170	2.5
129.05478	9.9
129.06996	2.6
130.07832	1.4
131.00729	2.6
131.99533	5.3
133.10193	2.3
134.99625	3.3
135.08052	2.6
135.11681	27.2
137.09558	3.1
139.07555	8.3
139.11168	100.0
140.04617	1.7
142.07768	2.8
143.00710	3.6
143.08560	5.5
145.10130	16.9
148.96152	1.4
150.96852	1.6
152.96921	10.9
153.00693	1.5
153.12730	47.5
156.09297	2.4
157.02271	1.8
157.10081	6.6
157.97360	1.2
163.11179	26.6
170.97923	2.0
171.11734	2.5
175.98531	21.1
181.12215	39.1
199.07158	5.8
199.08975	1.5
199.11427	8.6
199.13284	17.3
199.14854	4.9
199.18886	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03960	0.8
55.01869	1.6
55.05503	2.7
55.82720	0.7
55.93527	2.0
56.96548	0.8
57.03431	0.9
57.07074	1.2
58.01462	0.7
59.04987	0.8
61.02917	1.4
65.03926	1.0
67.05497	4.7
69.03414	2.9
69.07063	12.9
69.61459	5.8
70.07827	1.4
70.95859	23.1
71.04980	0.8
72.93781	15.6
73.02893	1.4
77.03918	0.9
79.05489	7.7
81.03427	1.1
81.07043	9.4
84.04465	1.8
85.09344	0.8
86.09671	1.2
88.96893	7.4
90.94832	3.7
91.05474	21.5
93.07034	20.0
95.04972	3.6
95.08602	6.1
96.08151	0.7
97.06550	1.5
98.21444	1.5
98.97565	1.7
99.04455	1.3
103.05463	1.2
105.07023	32.4
106.97935	1.2
107.04959	0.8
107.08584	100.0
108.95889	1.0
109.06500	6.6
109.10139	6.0
111.08033	0.9
111.98468	18.5
113.08246	3.0
113.96387	2.4
114.94788	1.0
116.98607	1.1
117.06985	1.2
119.08580	14.0
121.06512	2.4
121.10133	15.8
123.08050	2.8
123.11724	2.5
125.05962	1.8
125.09675	1.5
126.99480	1.0
128.06168	1.2
129.00990	1.4
129.99490	16.9
131.08542	2.5
131.97424	2.1
132.95825	23.7
133.10120	60.7
135.11678	5.1
137.05946	5.2
137.08272	0.7
137.09592	3.3
138.06689	1.4
139.07518	3.2
141.01030	1.8
141.06950	0.9
143.08543	2.4
146.07346	1.1
149.09593	11.2
150.96873	76.2
151.03850	1.7
151.07509	2.6
151.11180	19.9
151.42455	0.8
153.01112	1.0
154.07765	0.9
155.02628	0.8
155.07162	0.7
155.97408	20.1
161.09599	18.0
167.10660	25.1
168.97972	4.4
169.10188	0.8
173.00087	0.8
173.98480	49.1
174.98738	0.8
179.10649	41.1
182.10974	0.9
197.00066	3.3
197.05621	1.2
197.07326	3.7
197.11711	44.0
197.13187	2.1
198.11292	1.2
198.18506	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03947	5.4
55.01857	2.0
55.05507	6.9
55.64087	0.7
55.93510	1.4
56.75140	0.8
56.96551	1.7
57.03413	2.7
57.07066	1.9
59.04972	1.6
65.03927	1.6
67.05499	6.5
69.03423	2.1
69.06718	1.5
69.07066	20.8
70.06561	1.4
70.07843	1.9
70.32786	2.8
70.95861	33.9
71.04984	2.9
72.04517	1.2
72.08141	1.6
72.93400	1.0
72.93786	17.5
77.03944	0.8
79.05489	9.6
81.03421	1.4
81.07054	8.2
82.06611	1.1
83.04956	2.6
83.08584	1.3
84.04486	0.9
85.06512	2.0
88.96893	7.5
90.94814	4.1
91.05477	16.5
93.07038	17.8
95.04968	20.6
95.08604	5.3
96.08166	1.0
97.02836	1.2
97.06524	1.6
98.20812	1.2
99.00005	1.2
99.04431	1.4
100.07616	12.2
105.03387	97.8
105.07024	26.0
105.07619	0.4
105.07751	0.9
106.03710	1.7
107.04945	1.0
107.08588	50.8
108.95860	0.9
109.06510	7.0
109.10158	6.1
111.08072	2.0
111.98466	25.1
113.05992	0.9
113.08240	5.5
113.96381	3.0
114.94809	0.8
115.05473	1.0
117.07016	1.3
119.04919	2.7
119.08575	9.2
120.07982	0.8
121.06504	5.6
121.10113	2.6
123.04443	6.2
123.08032	3.4
123.11678	2.6
125.06009	1.6
126.99455	2.1
128.06142	0.9
129.01003	2.6
129.99503	19.7
131.08565	2.5
131.97433	2.1
132.95830	31.7
133.10121	56.4
135.08075	2.4
135.11685	39.6
135.12527	0.7
137.05994	4.0
137.08182	1.2
137.09633	4.5
138.06673	1.3
140.04652	0.9
141.01016	2.9
141.05441	1.2
141.06982	1.0
143.08548	1.1
143.43068	0.8
146.07326	1.0
147.04439	1.2
150.12773	3.9
150.96877	100.0
151.03903	2.2
151.07550	1.1
151.11147	4.8
151.97247	1.4
153.01108	1.6
155.02570	1.3
155.09233	2.5
155.97417	26.3
161.09607	25.7
163.18843	0.8
168.97887	5.9
173.98482	61.0
174.98756	2.0
179.07118	2.7
179.10664	70.3
180.10855	0.8
191.99535	1.8
197.00130	3.1
197.05742	1.9
197.07257	2.9
197.11722	45.3
197.13144	1.7
198.18506	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.4
51.02371	1.0
53.03743	0.2
53.03947	3.4
55.01853	1.0
55.05513	1.4
55.93504	0.4
56.96536	0.3
57.03432	1.8
57.07066	0.4
61.68122	0.2
62.42967	0.2
65.59812	0.3
66.50826	0.2
67.05485	1.2
68.05034	0.4
69.03410	0.3
69.07064	5.4
69.54898	0.2
70.06586	0.8
70.07845	0.6
70.15335	0.4
70.15742	0.7
70.95863	7.9
71.04981	0.6
71.06117	0.3
72.04508	0.7
72.08151	0.6
72.93790	4.7
73.02921	0.4
77.03915	1.1
79.05489	4.4
80.04999	0.3
81.03406	0.6
81.07055	1.9
82.06564	0.8
83.05000	0.5
83.67531	0.2
84.04492	0.5
85.06535	0.5
86.06063	0.6
86.09702	0.4
88.96901	1.9
90.94830	1.5
91.05483	1.9
93.07040	2.4
94.07317	0.3
95.04964	11.1
95.08614	1.2
96.08126	0.9
97.06522	0.6
98.21453	0.3
98.99984	0.4
99.04456	0.3
100.07613	6.7
102.56837	0.3
105.03385	100.0
105.07021	3.0
106.03734	1.2
106.97928	0.5
107.08583	5.1
109.06538	1.3
109.10142	0.7
110.09645	0.3
111.08082	1.1
111.98471	6.8
113.05971	0.3
113.08237	1.5
113.96413	0.7
117.94685	0.3
118.25497	0.3
119.01820	0.3
119.04945	0.3
119.08601	0.7
120.08090	0.5
121.06526	0.5
123.04430	4.1
123.11726	0.5
126.99445	0.4
127.03912	1.1
129.01015	0.9
129.99512	5.7
131.08542	0.4
131.97412	0.6
132.95827	7.9
133.06577	0.3
133.10117	4.9
135.08041	0.5
135.11687	3.5
137.05908	0.6
137.09636	1.0
141.01038	0.6
150.12759	3.0
150.96884	23.7
151.03888	1.5
151.07552	0.4
151.11157	0.9
151.97119	0.5
152.14366	0.6
155.02602	0.4
155.09326	0.5
155.97418	7.4
160.94675	0.2
161.09621	2.6
167.73558	0.3
168.97934	1.3
169.08734	0.3
173.98479	13.9
179.07071	2.9
179.09323	0.4
179.10667	6.3
197.00090	0.7
197.07353	0.6
197.11736	4.8
197.13400	0.6
197.16566	0.4
198.11232	1.3
198.18417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.02381	0.4
53.03937	0.5
55.01855	0.7
55.05503	2.6
56.96553	1.0
57.03425	0.5
57.07073	0.5
59.04992	0.4
62.05667	0.3
65.03935	0.6
67.05499	9.4
68.96309	1.0
68.99745	0.3
69.03419	6.7
69.07064	3.4
70.94239	0.6
71.04987	5.1
71.05866	0.4
71.06192	0.6
79.05482	6.6
80.08837	0.3
81.03399	0.6
81.06571	0.6
81.07051	10.9
83.04958	1.2
84.08141	0.4
85.06534	0.9
86.97332	0.4
89.03890	0.9
89.06020	0.5
91.05464	7.1
93.07034	17.8
95.04962	6.2
95.08599	9.5
97.06530	1.6
101.18864	0.3
103.05456	0.9
105.03391	0.3
105.07018	10.6
107.04958	1.8
107.08582	29.3
108.05724	1.6
108.08878	0.4
109.06506	5.3
109.10146	5.8
109.98919	1.0
111.04409	0.6
111.08029	0.6
116.98632	0.4
117.03345	1.3
117.04108	0.3
117.07027	2.2
119.08568	10.7
121.06487	6.5
121.10134	23.7
122.07268	1.0
123.08054	25.0
123.11623	0.4
124.08379	0.9
125.05975	0.7
125.09611	3.9
127.99976	0.8
128.98621	0.4
129.06960	0.8
130.96271	1.1
131.08559	3.8
133.06537	0.4
133.07587	0.6
133.10120	6.8
134.03586	0.5
135.04402	1.2
135.08041	8.7
135.11678	20.7
136.04990	0.3
136.08687	0.5
136.11972	0.5
137.09599	100.0
138.09981	1.7
139.07547	0.9
144.09325	1.2
145.02805	3.1
146.99667	0.7
148.97328	3.8
149.05989	2.3
149.09595	9.6
149.10722	0.7
149.13237	7.4
149.14352	0.6
149.97192	1.6
151.07613	0.3
151.11133	2.3
153.05449	1.2
153.09108	0.5
153.97906	1.0
157.10100	0.7
159.11664	9.3
161.10768	0.6
163.03925	0.5
164.08359	0.4
165.05472	1.2
167.07025	0.4
171.98929	1.9
172.98819	0.4
173.41565	0.3
177.05493	3.0
177.09241	1.9
177.12727	26.9
178.13181	0.4
180.07811	1.1
195.06497	0.9
195.08521	0.5
195.10159	6.6
195.11958	0.6
195.13766	3.9
195.15440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03931	0.6
55.01853	0.8
55.05499	2.2
56.96543	0.4
57.03435	0.4
57.07068	0.6
60.77790	0.2
65.03922	0.8
67.05501	7.9
68.96310	0.5
69.03072	0.4
69.03424	7.0
69.07062	3.1
69.64584	1.7
71.04989	5.7
74.81075	0.2
77.03918	0.4
79.05485	3.4
81.03397	0.5
81.06571	0.5
81.07052	9.6
83.04978	0.6
83.08602	0.5
84.08127	0.3
85.06515	0.9
86.33775	0.2
89.03934	0.4
89.06026	0.4
91.05471	4.8
93.07036	10.3
95.04965	5.5
95.08602	7.3
97.06532	1.9
103.05415	0.4
105.07024	3.8
107.04944	0.7
107.08586	23.6
108.08910	0.5
109.02836	0.2
109.06512	4.0
109.10145	6.0
109.98912	0.5
111.08076	0.6
111.11699	0.3
115.05451	0.3
117.03363	0.6
117.07003	1.4
119.06098	0.3
119.08572	12.1
121.06496	6.0
121.07353	0.3
121.10136	8.7
122.07244	0.3
123.08039	0.6
125.02336	0.2
125.09633	2.9
129.06967	0.6
130.07739	0.3
130.96342	0.5
131.08543	2.6
133.06433	0.4
133.10120	5.4
135.08047	9.1
135.11684	19.0
136.12059	0.5
137.09604	100.0
138.09935	2.2
139.07504	0.7
144.09349	1.0
145.02823	1.0
148.97328	1.1
149.05936	0.6
149.09625	0.5
149.13248	6.7
149.97246	0.7
150.09154	0.3
151.11157	0.4
152.04799	0.3
153.05540	0.2
153.12672	0.3
153.97827	0.4
157.10167	0.4
159.11693	8.6
163.03905	0.5
164.08374	0.7
165.05479	0.7
167.08498	0.3
171.98970	0.6
172.98816	0.5
177.05478	1.7
177.12735	26.5
178.13080	0.8
180.07777	0.8
195.08180	0.6
195.10136	1.9
195.12067	0.4
195.13806	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	195.1016
Annotation	Isopygmaein
Peak:m/z	Relative Intensity
50.40554	0.5
53.03939	1.5
55.01867	1.1
55.05497	2.7
55.79514	0.5
56.96565	2.6
57.03448	0.9
57.07059	1.1
61.59165	0.4
65.03930	1.1
67.05500	5.0
68.96323	1.6
69.03414	1.9
69.07050	1.0
70.94239	1.8
71.05000	0.7
71.18359	0.6
72.93771	0.9
79.05489	10.9
81.03401	0.9
81.07050	5.3
83.04961	1.7
84.08138	1.1
85.02897	1.2
85.06572	0.4
89.03906	0.9
89.06016	1.0
91.05468	10.7
93.07037	30.4
94.07336	0.6
95.04980	2.6
95.08599	10.7
97.02863	0.8
97.06559	0.9
98.97558	2.5
99.05607	0.5
99.46858	0.4
103.05437	2.7
105.04510	0.5
105.07025	25.0
106.07884	0.6
107.04955	3.2
107.08586	18.6
108.05735	6.1
109.06531	2.1
109.10143	1.3
109.98938	1.9
111.04433	0.9
111.08061	0.8
115.05444	1.1
116.06229	0.9
116.46240	0.4
116.98599	1.9
117.03358	2.9
117.06985	1.2
118.07789	0.7
119.01773	0.6
119.04935	0.5
119.08581	2.8
120.05668	0.5
121.02869	0.8
121.06494	5.1
121.10135	63.5
122.07240	2.8
122.10477	0.9
123.08059	100.0
124.08407	1.8
125.06013	1.0
125.09609	3.6
127.99949	1.2
128.02306	0.8
129.07100	0.4
130.96300	1.9
131.08580	5.0
133.06744	0.5
133.07607	2.8
133.10110	4.6
133.50537	0.5
134.99669	0.9
135.04401	1.5
135.08058	3.0
135.11650	1.2
137.09599	1.2
138.06665	0.8
138.49881	0.4
139.11092	0.7
145.02831	4.1
146.99631	0.5
148.97360	5.2
149.06004	3.6
149.09607	40.5
149.13190	0.8
149.97191	1.9
150.10042	0.9
151.11168	9.3
153.05463	1.6
153.09132	0.4
153.97868	1.2
159.11746	0.8
159.39481	0.5
161.10701	2.3
163.03938	0.9
166.06184	0.5
167.07013	1.5
167.08488	0.6
167.10661	1.5
171.98947	2.7
172.98747	0.7
177.00720	1.2
177.05476	5.1
177.09102	6.9
177.12607	0.6
186.99118	0.6
195.01129	0.6
195.06419	0.6
195.08324	1.1
195.10156	13.3
195.11848	0.9
195.13803	0.8
201.08046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	Isopygmaein
Peak:m/z	Relative Intensity
53.03937	1.4
54.00179	0.4
55.01857	0.9
55.05506	6.5
56.96561	3.2
57.03428	0.7
57.43014	0.4
65.03917	1.0
67.05489	4.7
68.96322	1.1
69.03416	2.4
69.07059	3.9
70.75065	1.0
70.75403	0.4
70.94263	0.8
71.04976	0.8
79.05485	10.4
81.03423	0.7
81.07043	4.6
83.04607	0.4
83.04984	3.9
83.08607	0.7
84.08139	1.2
85.02882	0.9
85.06516	1.0
89.03902	0.8
91.05473	9.6
93.07034	28.1
95.04947	2.9
95.08594	9.2
97.02856	0.6
97.06509	0.9
98.01219	0.6
98.97562	1.9
103.05489	2.5
105.04530	0.5
105.07020	25.7
107.04967	2.7
107.08585	18.7
108.05725	5.8
109.06496	2.0
109.10138	0.9
109.98968	0.7
110.07137	0.5
111.04427	0.7
111.08064	0.9
114.19017	0.4
115.05425	0.8
116.06203	0.5
116.98609	1.4
117.03365	1.3
117.07008	0.7
118.07821	0.7
119.01791	0.5
119.08585	2.6
121.02818	0.6
121.06496	4.9
121.10130	62.2
122.07281	2.0
122.10477	0.9
123.08052	100.0
124.08408	1.6
125.05987	0.7
125.09605	3.8
127.03857	0.6
128.02310	1.0
130.96298	0.8
131.08549	5.8
133.07619	2.3
133.10104	5.1
134.99626	0.6
135.04413	1.5
135.08061	3.6
135.11665	1.7
136.08641	0.7
137.02925	0.6
137.05975	0.9
137.09590	2.8
137.52522	0.5
138.06726	0.6
139.11165	1.0
145.02817	2.6
146.99672	0.6
148.97342	3.1
149.02286	0.5
149.05956	5.0
149.09605	37.1
149.97177	1.4
150.09932	0.7
151.11165	10.4
153.05447	0.6
153.11610	0.4
153.12671	2.1
153.97903	1.1
158.99646	0.6
159.08104	0.6
161.10672	2.0
163.03860	0.9
167.07031	1.4
167.10640	1.1
171.98914	1.8
172.98805	0.7
175.06384	0.8
177.00598	0.6
177.05461	4.1
177.09079	7.6
177.12704	1.4
177.16391	0.6
183.05908	1.1
192.06512	0.9
195.06497	0.9
195.08360	1.1
195.10152	12.5
195.11823	0.9
195.13850	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	194.1175
Annotation	Winterstein's acid
Peak:m/z	Relative Intensity
55.01887	0.9
55.05516	1.0
56.05038	1.4
56.96561	6.1
57.50133	0.6
58.06615	2.1
60.04540	0.8
65.03951	0.9
65.85621	0.5
67.05508	1.7
68.05033	0.9
68.96351	2.2
69.03438	1.4
69.07092	0.6
69.99680	3.6
70.06607	3.0
70.94271	1.4
71.04993	0.9
72.08172	1.4
72.93810	2.8
79.05484	7.0
80.05029	1.6
81.07072	1.6
82.06602	1.0
83.04974	0.8
83.06133	1.4
84.08141	5.7
86.09714	0.8
86.97356	1.1
87.04488	1.3
90.94845	1.7
91.05509	2.7
93.05804	2.1
93.07042	1.5
94.06584	1.9
95.04977	1.4
95.06076	0.9
95.08630	0.9
97.02927	0.8
98.06097	1.4
98.97593	0.9
99.94853	1.1
102.05528	4.2
103.05459	11.3
103.06035	0.9
105.07031	4.8
107.04957	7.3
107.08603	2.0
108.04489	1.2
108.95850	1.0
109.06502	0.9
109.07638	0.9
109.98909	1.6
110.06036	0.9
110.07166	1.4
111.04449	1.1
111.09189	0.8
113.96439	1.1
116.98595	1.3
117.03340	1.1
120.08141	0.9
121.02862	0.7
121.06482	1.0
125.06021	0.9
127.99979	2.2
129.10271	0.8
130.06508	1.0
130.96297	2.5
131.04915	6.7
131.97343	1.0
132.08095	1.2
133.08855	10.8
134.06006	1.0
134.06996	0.6
134.99672	1.5
135.11684	0.7
136.07561	2.5
137.05997	0.8
137.08336	2.5
137.09561	0.7
138.05511	0.8
145.02823	1.8
146.97432	1.5
147.97487	2.2
148.07549	2.9
148.11197	100.0
148.97334	9.9
149.05984	3.5
149.08150	0.6
149.11598	1.5
150.09129	7.4
150.96878	1.3
152.06998	0.7
153.05444	2.3
153.97882	3.0
159.11731	0.9
161.01181	0.8
166.08672	2.2
166.12277	1.0
166.98399	0.7
171.98927	5.9
176.03427	2.7
176.07037	0.7
176.10628	1.3
177.00655	0.8
177.05437	3.0
188.92447	2.3
188.98372	0.7
189.01897	0.9
194.04948	2.2
194.08011	2.5
194.11732	38.8
194.15369	11.3
195.02937	0.9
195.08643	0.8
206.93518	1.1
211.94116	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	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03936	1.4
55.01873	0.7
55.05502	11.8
56.96552	1.2
57.07066	1.8
59.04986	0.8
63.02340	0.8
65.03927	0.9
67.05492	10.3
69.07057	26.1
70.12632	2.2
70.13053	1.2
71.04984	15.1
79.05492	7.7
81.03411	2.6
81.07048	23.3
83.04986	1.2
83.08604	4.2
85.06538	11.9
91.05471	6.2
91.52370	0.6
91.89901	0.6
93.07030	24.3
95.04955	35.2
95.07983	1.0
95.08595	19.2
97.06507	2.4
97.10163	6.8
99.08084	3.0
105.07017	9.1
107.04926	0.8
107.08579	31.8
109.06503	100.0
109.10151	15.9
110.06836	1.8
111.08076	6.2
111.11720	2.0
119.08565	24.4
121.10117	8.1
123.08053	6.6
123.11690	18.4
131.08543	0.7
133.10112	22.0
134.10486	0.9
135.11674	32.3
136.11929	0.9
137.09604	12.3
145.10181	1.2
146.97414	2.7
147.11665	3.8
149.13248	9.4
151.11147	4.9
151.14790	1.8
165.08760	0.6
171.72820	0.7
175.11325	1.4
175.14809	37.9
193.04951	3.6
193.15852	50.2
194.16199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.86377	0.8
53.03935	5.2
55.01849	4.0
55.05505	30.3
56.96553	1.1
57.03425	5.7
57.07065	7.3
59.04981	1.9
65.03924	2.7
66.09554	0.9
67.05499	48.3
69.03072	1.0
69.03423	13.8
69.07060	18.7
71.04984	5.1
71.59863	1.1
77.03891	0.9
79.05486	26.6
81.03410	100.0
81.07049	43.7
82.03741	2.1
83.04970	33.5
83.08608	18.9
84.08124	1.0
85.06532	5.6
91.05474	29.1
93.07035	27.0
95.04958	37.9
95.08599	49.4
97.02854	2.1
97.06525	4.9
97.10130	3.6
99.08095	1.8
103.05424	2.2
105.06300	1.0
105.07020	32.0
107.04935	7.4
107.08582	37.9
108.05705	1.2
109.05792	1.1
109.06519	19.4
109.10143	69.7
111.04423	1.4
111.08067	11.6
111.10655	0.8
115.05461	2.2
116.06279	1.1
117.07006	3.5
119.04925	1.3
119.08569	48.6
121.06490	2.0
121.10126	27.1
122.07220	1.3
123.04413	1.3
123.08056	41.9
123.11691	11.3
125.09605	2.9
129.06996	7.3
131.08575	7.4
133.02835	4.3
133.06509	5.9
133.10118	37.0
135.08017	1.4
135.11676	57.0
137.05969	3.7
137.09601	29.7
137.13225	1.1
138.10358	7.1
139.11131	1.1
142.07762	2.8
145.10179	1.5
146.97412	8.6
147.08069	4.3
147.11667	10.8
149.02348	1.1
149.09579	4.3
149.13240	12.4
150.10408	0.9
151.11172	13.2
151.14792	8.8
157.10112	6.5
161.05841	1.7
165.12682	2.0
165.16397	3.4
165.82840	0.9
169.99080	4.6
175.11172	5.2
175.14809	33.2
178.02585	2.4
193.04933	13.4
193.08450	2.5
193.10284	1.4
193.12193	14.1
193.15854	71.0
194.16158	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03933	6.5
55.01851	6.3
55.05502	17.1
56.96553	3.9
57.03434	10.5
57.07049	5.3
57.25713	1.3
65.03941	3.6
67.05501	42.8
69.03402	5.0
69.07057	19.2
71.04967	10.0
71.11808	3.6
71.32294	1.3
79.05486	36.5
81.03411	93.2
81.06578	2.1
81.07048	38.0
82.60521	1.3
83.04984	9.2
83.08616	12.9
85.06520	6.6
91.05476	35.6
92.05758	1.5
93.07035	40.0
95.04960	47.3
95.08598	27.5
97.02869	2.3
97.06525	10.5
97.10145	1.7
99.08076	3.1
103.05447	2.3
105.07021	49.0
105.26400	1.3
107.04951	8.0
107.08589	49.9
109.06519	15.2
109.10147	78.1
110.10480	2.0
111.04459	2.9
111.08062	7.9
115.05401	4.2
117.06995	4.4
118.04256	1.6
119.04893	2.4
119.08574	53.9
121.06468	3.8
121.10129	17.5
123.04433	2.7
123.08086	16.3
123.11674	11.8
128.96347	3.2
129.06998	9.8
131.08542	9.1
133.02826	7.1
133.06458	10.5
133.10118	100.0
134.10434	1.8
135.08070	2.5
135.11679	86.4
136.12042	2.7
137.05902	4.8
137.09610	16.2
138.10336	3.5
142.07747	3.4
145.10123	2.3
146.97444	21.2
146.99553	1.5
147.04387	1.4
147.08029	6.7
147.11676	22.2
148.07545	1.4
149.02301	1.9
149.09596	4.8
149.13234	3.6
150.03108	3.1
151.07578	2.3
151.11192	3.4
157.10150	7.6
160.12511	1.7
161.05829	6.1
165.05472	1.3
165.12766	3.5
169.99040	9.8
175.11252	11.0
175.14806	71.9
176.15143	1.4
178.02559	7.7
193.03244	2.4
193.04950	34.4
193.06706	1.7
193.08496	5.1
193.12231	21.5
193.15857	72.3
194.05238	2.5
194.08151	2.2
194.16211	2.0
201.98056	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	193.1221
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02389	0.5
53.03939	4.3
55.01869	2.8
55.05506	8.8
56.96557	0.8
57.03436	2.6
57.07072	0.7
59.04996	0.4
65.03941	2.4
67.05499	27.7
68.99796	0.3
69.03423	3.3
69.07056	3.5
70.06597	0.5
71.01353	0.6
71.04985	1.7
79.05486	16.5
81.03413	100.0
81.07048	12.0
82.03749	1.2
83.04977	4.1
83.08611	10.5
84.08133	0.6
85.02887	0.5
85.06533	1.7
89.03921	0.4
91.05476	20.3
92.05779	0.4
93.07038	8.9
94.04185	0.4
95.04962	42.0
95.08588	4.2
96.05299	0.4
97.02873	2.2
97.06528	1.3
97.10162	0.7
98.21438	0.8
98.97592	0.7
99.08080	3.1
103.05468	1.7
105.07023	16.8
107.04950	7.5
107.08578	4.4
109.06505	3.3
109.10133	4.4
111.04428	1.3
111.08065	2.8
113.05992	0.4
115.05490	2.0
115.06142	0.4
116.06229	0.5
116.98665	0.7
117.07011	1.4
119.04929	1.3
119.08572	12.6
119.65887	0.3
121.06506	2.8
121.10130	4.3
122.03633	1.5
123.04404	1.8
123.08066	1.4
123.11696	0.8
128.06230	0.7
129.06987	9.3
131.08563	6.8
133.02840	8.4
133.06490	5.4
133.09221	0.6
133.10132	5.8
134.07205	0.5
134.10541	0.5
134.99628	0.4
135.08054	0.6
135.11670	2.1
137.05975	2.6
137.09601	3.5
142.07780	2.1
145.10126	0.5
146.97438	5.2
146.99615	0.4
147.04367	0.5
147.08066	4.2
147.11676	6.1
148.08780	0.4
149.02338	1.4
149.05975	0.6
149.09615	4.5
149.13237	0.4
150.03107	0.9
151.11171	0.9
157.10112	5.7
161.05313	1.9
165.05473	1.2
165.09135	0.4
165.12732	0.8
166.40622	0.3
169.99023	2.5
175.11166	7.0
175.14796	1.4
178.02609	5.6
193.04950	22.1
193.08484	1.6
193.10693	0.6
193.12231	11.6
193.15907	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02373	1.2
53.03944	5.7
55.01869	5.2
55.05507	13.4
56.96554	2.7
57.03194	0.8
57.03433	5.4
57.07069	1.7
63.90149	0.5
65.03926	4.2
67.05499	38.9
69.03429	3.2
69.07059	7.2
69.67344	0.6
70.26343	2.9
71.04990	5.0
77.03918	1.3
79.05488	37.0
81.03413	100.0
81.06571	1.3
81.07051	25.6
82.03723	0.9
83.04975	8.3
83.08611	12.3
85.02905	0.9
85.06532	2.0
91.05473	53.7
92.05824	1.2
93.07037	31.7
95.04962	53.3
95.08609	6.0
96.05250	0.8
97.02879	2.8
97.06523	6.2
97.10186	1.7
99.08083	0.9
103.05460	1.7
105.03411	0.7
105.04517	1.3
105.07024	43.7
106.07327	1.0
107.04953	10.3
107.08588	8.4
108.04521	0.7
109.06508	8.6
109.10155	3.1
111.04440	2.8
111.08053	4.2
113.05963	0.9
115.05470	3.1
116.06255	1.2
117.07008	2.4
118.04130	0.8
119.04932	2.2
119.08575	23.3
121.06516	4.8
121.10161	5.7
122.03676	1.0
123.04453	1.7
123.08029	3.2
123.11672	1.3
125.06031	0.7
128.06216	1.6
128.96391	1.7
129.07002	15.6
131.08559	19.7
133.02841	8.0
133.06488	11.0
133.10121	54.7
134.07155	0.8
134.10510	0.7
135.08044	1.9
135.11678	2.8
137.05991	4.0
137.09618	2.5
142.07784	4.3
145.10109	1.7
146.06032	1.6
146.97432	17.1
147.08040	6.7
147.11682	23.9
147.97478	0.9
148.07510	0.9
149.05920	0.6
149.09618	13.6
149.13249	0.8
150.03087	0.8
151.07509	1.4
151.11183	1.5
157.10120	17.8
161.06081	3.6
165.05396	1.3
165.09044	1.0
165.12732	3.1
169.99025	6.6
175.07509	0.8
175.11179	26.9
175.14691	3.5
176.11481	0.8
178.02602	6.7
178.06111	0.7
178.96434	1.6
193.03235	1.5
193.04956	21.5
193.06694	1.3
193.08556	2.1
193.10432	1.5
193.12231	26.3
193.15892	3.9
193.17471	0.7
194.05167	0.7
194.15395	1.0
201.98053	1.6
213.05701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.43990	0.7
51.94070	1.0
53.03945	5.3
55.01864	4.8
55.05508	9.9
56.96551	2.8
57.03435	10.9
57.07057	1.6
60.41692	0.6
65.03935	3.6
67.05502	27.1
68.94341	2.6
69.03427	4.0
69.07070	4.2
70.04569	3.5
71.01331	1.2
71.04983	2.1
79.05051	1.3
79.05489	20.9
81.03413	100.0
81.07050	16.8
83.04972	5.4
83.08618	9.9
83.93044	1.0
85.02878	0.9
85.06544	1.7
86.06069	0.7
91.05477	28.3
93.07037	17.2
95.04961	41.5
95.08603	6.9
97.02877	2.3
97.06520	2.7
97.10168	0.9
99.08083	0.8
103.05481	1.7
105.07023	22.1
105.85533	0.6
107.04951	8.3
107.08585	6.1
109.02874	1.4
109.06507	5.3
109.10143	3.3
111.04451	2.3
111.08087	1.7
115.05470	2.0
117.07016	3.3
119.04912	1.7
119.08577	22.1
121.06491	6.5
121.10117	4.9
123.04434	3.8
123.08048	2.9
123.11704	0.9
128.06274	0.8
128.96367	3.9
129.06990	8.9
131.08575	7.8
131.97464	0.8
133.02832	1.9
133.06480	6.8
133.10115	13.2
135.08072	2.0
135.11755	1.1
137.05978	3.1
137.09615	3.8
142.07791	2.8
145.06468	0.7
145.10143	1.3
146.07272	1.5
146.97438	41.9
146.99654	1.9
147.08026	6.3
147.11682	9.0
147.97420	1.8
149.02353	1.5
149.09628	5.4
150.03116	0.9
151.07584	1.8
151.11166	1.0
151.98010	1.1
157.10133	7.9
160.08864	1.4
161.05589	2.1
165.05507	0.7
165.12762	1.8
169.99036	19.5
170.99194	1.5
175.11166	10.7
175.12526	1.0
175.14847	2.6
178.02594	3.6
178.96356	3.8
181.94730	0.7
193.00694	2.4
193.04950	16.5
193.08595	2.6
193.10349	1.4
193.12225	17.4
193.15826	1.2
194.08116	0.7
194.15359	1.6
201.98055	2.7
211.00739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02359	1.5
52.08487	0.9
53.03942	10.3
53.41691	0.8
55.01876	5.5
55.05506	15.0
56.96541	2.4
57.03433	6.6
57.07082	1.7
65.03933	4.6
67.05499	42.3
68.94325	1.6
69.03426	4.0
69.07069	8.6
70.73197	3.1
71.01326	0.9
71.04986	10.9
73.06541	0.9
77.03919	2.0
79.05485	63.7
80.05816	1.1
81.03409	92.1
81.07047	32.3
82.07357	0.8
83.04970	9.8
83.08607	11.5
85.02887	1.2
85.06544	4.8
87.04433	1.0
91.05471	100.0
92.05786	1.6
93.07032	88.8
94.07389	1.2
95.04956	53.8
95.08589	6.4
97.02854	2.4
97.06501	3.9
97.10153	1.0
102.61649	0.8
103.05466	1.1
105.04478	2.5
105.07018	49.0
107.04940	9.2
107.08585	7.0
109.06497	9.3
109.10123	2.5
111.04423	2.4
111.08060	3.7
113.05988	1.4
115.05436	4.4
116.06165	1.0
117.03455	0.8
117.06985	2.8
119.04867	1.1
119.08563	28.4
121.06455	2.7
121.10135	5.2
123.04405	3.2
123.08046	2.6
123.11659	1.8
126.41932	0.9
127.07542	0.9
128.06197	2.0
128.96382	3.2
128.98575	1.1
129.06995	21.5
129.93306	0.9
131.08554	26.7
133.02812	2.6
133.06488	7.3
133.10115	86.5
134.10439	1.8
135.08031	2.3
136.07497	1.1
137.05954	2.4
137.09592	3.5
142.07759	6.2
145.10156	2.1
146.05940	2.1
146.97432	27.4
146.99690	1.3
147.04326	0.9
147.08035	7.4
147.11667	18.2
149.02341	1.3
149.05914	0.9
149.09601	5.1
151.07530	2.1
151.11197	1.7
157.10114	21.8
161.05482	1.3
165.12764	2.1
169.99005	11.1
175.07610	1.3
175.11157	21.7
175.14751	1.3
178.02570	4.5
178.96387	2.5
193.03247	2.0
193.04942	17.8
193.08493	2.1
193.12204	31.0
193.15836	2.1
193.17740	0.9
201.97945	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	193.1222
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
50.66005	0.3
50.69524	0.4
51.00957	0.2
51.02372	0.6
52.53552	0.2
53.03940	3.7
55.01870	3.2
55.05505	9.3
56.96559	1.2
57.03431	2.9
57.07072	0.7
59.05005	0.3
65.03924	2.1
67.05496	26.1
69.03426	3.3
69.07057	3.5
70.86588	0.9
71.01337	0.4
71.04983	3.0
77.03940	0.4
79.05132	0.5
79.05487	20.3
81.03410	100.0
81.07047	15.1
82.03752	1.0
83.04970	5.8
83.08607	11.6
85.02897	0.4
85.06552	0.9
91.05471	22.1
92.05809	0.4
93.07035	10.3
94.04150	0.4
95.04959	38.6
95.08597	5.1
97.02866	1.7
97.06539	1.8
97.10161	0.8
99.08099	0.5
101.24241	0.3
103.05477	1.5
105.04487	0.5
105.07018	17.7
107.04203	0.4
107.04947	8.0
107.08586	4.7
109.06505	4.0
109.10133	3.4
111.04432	1.9
111.08089	2.7
113.05946	0.4
115.05410	1.6
116.06239	0.7
117.07018	1.6
119.04941	1.1
119.08568	13.1
121.06488	2.6
121.10116	3.6
122.03649	0.4
123.04441	1.2
123.08065	2.0
123.11695	1.1
125.05968	0.4
128.06216	1.0
128.96402	0.4
129.06995	9.0
129.45134	0.3
131.08557	7.6
133.02827	3.0
133.05586	0.2
133.06482	5.4
133.10121	9.2
134.07120	0.5
135.08044	1.0
135.11693	2.2
136.26912	0.3
137.06001	1.8
137.09618	2.7
141.06903	0.3
142.07773	2.6
142.11705	0.3
145.10092	0.6
146.06000	1.0
146.97423	5.5
146.99628	0.4
147.04402	0.5
147.08022	3.9
147.11670	7.8
147.12785	0.6
147.97377	0.4
149.01199	0.5
149.02324	0.7
149.05989	0.5
149.09602	4.1
149.13214	0.3
150.03093	0.4
151.07594	0.7
151.11168	1.1
152.05940	0.3
157.10112	6.0
161.05852	1.6
165.05499	0.5
165.12756	1.3
169.99023	2.2
175.07524	0.4
175.11179	7.2
175.14737	2.4
178.02592	2.1
178.96558	0.4
193.04945	9.6
193.08626	1.5
193.10413	0.6
193.12221	11.8
193.15895	3.5
194.08142	0.4
194.15486	0.4
195.60484	0.3
214.49750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02380	0.4
52.78172	0.2
53.03938	3.4
55.01868	3.3
55.05506	8.2
56.96553	0.8
57.03426	2.6
57.07056	0.7
65.03925	2.6
67.05499	24.8
67.91746	0.3
68.66975	0.2
69.03428	3.5
69.07057	3.2
69.90134	1.4
70.02901	0.3
71.01347	0.6
71.04990	2.0
73.02907	0.4
79.05488	17.7
81.03411	100.0
81.07048	12.5
82.03738	0.7
83.04983	4.1
83.08614	11.2
85.06531	0.6
86.16035	0.3
91.05473	20.9
92.78817	0.3
93.07037	7.8
95.04959	37.3
95.08592	2.7
97.02882	2.1
97.06506	1.3
97.10148	0.7
98.20708	0.3
98.97577	0.4
99.08096	0.4
103.05464	1.3
105.04498	0.5
105.07021	16.6
107.04948	8.3
107.08596	3.6
109.02838	0.3
109.06506	3.2
109.10151	1.7
111.04438	2.2
111.08067	1.8
112.40331	0.3
112.97506	0.3
113.06001	0.3
115.05433	2.4
116.06209	0.9
116.98584	0.3
117.06985	2.3
118.04150	0.3
119.04919	1.9
119.08573	18.7
120.08884	0.3
121.06477	2.3
121.10136	3.2
123.04409	1.1
123.08070	1.0
123.11698	0.6
128.06230	0.9
128.96391	0.5
129.06996	7.8
131.04912	0.3
131.08554	7.0
131.09517	0.5
133.02821	1.9
133.06485	5.1
133.10117	5.5
134.07158	0.4
135.08095	0.7
135.11678	0.7
137.05959	1.4
137.09598	1.8
137.84827	0.3
141.06944	0.4
142.07788	2.9
145.10100	0.8
145.82541	0.3
146.05995	0.3
146.97438	3.9
147.04390	0.3
147.08029	4.8
147.11678	8.0
149.02322	0.4
149.09619	4.1
151.07492	0.4
151.11169	0.7
155.07008	1.0
157.10115	5.8
161.03473	2.3
161.06065	1.7
165.09128	0.3
165.12740	1.2
169.99026	1.8
175.07533	0.4
175.11172	6.9
175.14804	0.8
178.02602	2.0
178.07719	0.3
193.04906	6.9
193.08521	1.5
193.12227	12.4
193.15942	1.4
194.05421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02361	1.6
51.24754	1.2
52.95529	1.0
53.03940	7.2
55.01870	6.1
55.05509	11.2
56.96543	4.9
57.03427	3.6
57.07053	2.2
65.03925	2.7
67.05499	35.2
69.03417	2.5
69.07056	9.7
69.63104	1.1
70.24095	1.3
71.04993	12.6
71.14969	1.8
71.15282	1.7
77.03902	1.5
79.05485	59.8
81.03412	17.5
81.07050	32.4
83.04964	8.0
83.08619	6.5
85.02894	1.6
85.06531	3.5
87.04478	2.1
91.05471	100.0
92.05793	1.5
93.07033	92.5
95.04958	29.7
95.08589	9.4
97.06542	6.4
102.15805	1.4
103.05470	1.8
104.14869	1.4
105.03295	1.4
105.04507	3.5
105.07017	53.6
107.04922	4.6
107.08595	10.0
109.06505	11.5
109.10109	1.8
111.04464	1.4
111.08071	2.1
113.05960	2.9
115.05421	3.7
117.07008	2.5
119.08575	29.5
121.06507	2.5
121.10099	2.5
123.04389	2.4
123.08039	4.2
123.11722	1.7
128.06224	2.6
128.96368	4.3
128.98570	1.4
129.06990	17.9
131.08554	23.0
133.02809	3.3
133.06516	7.1
133.10117	89.3
134.04878	1.5
135.11652	1.8
137.05960	7.5
137.09581	1.4
142.07767	3.8
143.05376	1.8
146.05980	4.9
146.97423	36.5
146.99625	3.1
147.08022	5.8
147.11662	32.5
149.02290	3.4
149.09621	4.5
149.13214	1.5
151.11095	1.7
157.10114	24.7
159.06783	2.1
161.05386	2.5
165.12724	1.7
169.99019	15.4
175.11157	24.8
175.14796	3.9
178.02666	6.2
178.07759	1.9
178.96463	4.1
193.00763	1.8
193.04927	26.2
193.08492	2.5
193.10164	4.1
193.12199	30.8
193.14043	1.6
193.15851	4.0
193.17731	1.9
194.08067	1.9
194.15460	2.2
201.97964	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	192.0765
Annotation	Carbendazim
Peak:m/z	Relative Intensity
55.67281	0.2
56.89711	0.2
59.71986	0.2
63.09801	0.2
65.03931	0.2
69.60142	1.5
74.74523	0.2
81.13193	0.2
85.98064	0.2
90.20023	0.2
92.05004	0.5
105.04492	0.5
115.59491	0.2
131.06268	0.2
132.05573	3.8
133.06351	0.7
135.05539	0.4
160.05046	100.0
161.05386	1.1
187.74370	0.2
192.07658	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01863	2.4
55.05509	8.2
56.96557	2.3
57.03429	2.3
57.07067	2.6
59.04999	0.8
65.03925	0.9
67.05499	10.9
69.03423	29.4
69.06711	1.3
69.07060	14.8
71.04985	3.0
71.08559	0.6
71.59833	0.8
72.93742	1.4
74.38566	0.6
79.05486	21.5
81.03417	2.2
81.07050	18.0
83.04974	8.6
83.08609	3.1
85.06525	2.6
86.30148	0.6
87.40531	0.6
90.94805	1.3
91.05473	21.1
93.07038	22.7
95.04960	8.2
95.08596	12.4
97.05963	0.6
97.06519	3.8
103.05489	5.0
105.04601	0.6
105.07021	30.7
107.04945	9.8
107.08584	47.7
109.06508	6.9
109.07653	0.9
109.09444	1.1
109.10147	14.7
111.08059	1.3
115.05455	4.3
116.06229	1.4
117.07006	9.5
118.04169	0.9
118.07755	1.0
119.04896	0.8
119.08559	13.7
119.10216	0.6
120.08097	1.0
121.06495	15.6
121.10128	31.8
122.07249	2.2
123.08072	5.3
123.11716	1.1
128.06172	0.8
129.06990	3.6
130.07787	3.8
131.04968	3.6
131.08556	27.1
132.05627	1.3
132.09268	1.0
132.95810	1.5
133.06487	1.6
133.10117	100.0
134.10474	1.9
135.04390	1.0
135.08038	19.7
135.11682	11.0
136.08705	0.8
137.09602	9.9
143.08553	6.4
144.09308	2.5
144.97949	1.6
145.06503	1.5
145.10109	25.4
147.08044	3.2
147.11670	13.9
148.05113	1.4
148.08765	2.0
149.01147	0.7
149.05965	2.7
149.09601	30.0
149.13237	19.2
149.96049	1.0
150.96866	2.3
155.08556	0.9
158.07289	1.4
158.10919	10.5
159.07959	0.8
160.05049	20.1
161.09630	2.6
162.10439	0.7
163.03935	0.8
163.07579	3.4
163.11162	8.7
163.14771	6.3
164.06952	0.9
167.10724	0.7
167.97200	1.1
171.11728	0.6
173.05888	0.9
173.09636	6.0
173.13251	31.3
174.13591	0.7
176.04549	1.9
176.08321	0.8
176.11990	1.7
190.98801	0.7
191.03381	4.4
191.06851	6.8
191.10660	12.9
191.14288	78.1
191.17961	2.1
192.07738	2.9
192.14642	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03931	1.1
55.01620	0.5
55.01869	6.7
55.05508	2.7
56.96551	1.2
57.03416	0.6
57.07059	0.9
58.98190	0.3
65.03931	0.7
67.05170	0.5
67.05502	5.8
68.99774	0.4
69.03429	2.4
69.07065	17.5
71.04975	0.6
71.31242	0.6
72.93760	0.5
77.03906	0.7
79.05491	10.8
81.03397	0.8
81.07054	6.9
83.04982	3.6
83.08608	1.1
84.12150	0.3
85.06532	0.6
89.03905	1.1
90.94836	0.3
91.05476	14.6
93.07040	24.3
95.04955	3.6
95.08601	4.5
97.06525	4.5
98.21312	0.3
102.17979	0.3
102.18801	0.3
103.05470	2.7
105.03387	0.3
105.07024	10.2
107.04947	3.6
107.08589	19.8
109.06517	2.9
109.10141	3.7
111.04432	0.9
111.08055	0.3
113.41489	0.3
115.05424	1.7
116.06274	0.6
117.03333	0.5
117.07011	7.1
118.04158	0.9
119.07780	0.5
119.08582	8.1
119.09429	0.4
121.02818	0.3
121.06500	19.9
121.10134	16.6
122.07243	0.3
123.04411	0.4
123.08064	2.7
123.11698	0.6
125.05936	0.4
128.06213	0.4
129.05475	0.5
129.07008	3.0
130.04115	0.5
130.07805	1.7
131.04909	2.7
131.08562	12.8
132.05637	0.6
133.02843	0.4
133.06477	0.8
133.10121	9.4
135.04482	0.4
135.08051	11.3
135.11691	9.2
136.08698	0.4
137.09631	1.3
143.08525	1.9
144.09373	0.5
144.97960	0.4
145.06468	2.2
145.10115	16.7
146.05995	0.6
146.10526	0.4
147.04326	0.4
147.07953	1.7
147.11679	27.7
148.05171	1.1
148.08760	0.4
148.12006	0.5
149.01190	0.5
149.05945	1.0
149.09619	6.4
149.13254	10.1
150.96889	0.5
155.08562	1.8
158.07275	0.5
158.10889	1.9
160.03888	0.5
160.05070	4.9
161.09613	8.2
162.10236	0.4
163.03882	0.3
163.07533	2.3
163.11176	16.1
163.14799	1.6
164.11572	0.6
167.97330	0.4
173.05951	0.4
173.09621	8.2
173.13249	11.7
175.11104	0.4
176.04736	0.6
176.08263	0.7
176.12019	1.8
181.12212	0.8
191.03381	9.1
191.07047	3.4
191.10693	17.2
191.14294	100.0
192.03763	0.4
192.07709	0.6
192.10922	0.4
192.14668	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01860	1.1
55.05491	3.5
56.96561	1.3
57.07072	1.4
58.16835	0.6
65.03909	1.3
67.05505	4.2
69.03084	0.8
69.03426	12.9
69.06723	1.0
69.07066	13.7
71.04987	2.1
71.59560	0.8
72.93765	0.9
77.58495	0.7
79.05484	16.5
81.07049	10.0
83.04980	4.4
83.05392	0.6
83.08602	1.8
85.06522	1.6
91.05476	15.2
93.07033	13.9
95.04940	2.7
95.08581	6.7
97.06512	2.8
103.05458	2.9
105.07020	31.2
106.07848	1.0
107.04951	7.0
107.08582	19.5
109.06521	7.7
109.10149	2.1
111.08083	4.9
115.05450	2.4
116.06236	1.3
117.07008	5.8
119.08575	28.4
121.06506	8.1
121.10133	24.0
123.08076	8.0
127.06601	0.7
127.09426	0.8
129.06950	2.4
130.07755	1.8
131.08560	21.2
132.05571	2.7
132.95775	0.8
133.10120	9.1
135.08047	16.7
135.11642	3.6
137.09628	1.4
143.08565	3.7
144.09412	1.2
145.06505	0.8
145.10115	12.6
147.08025	1.6
147.11659	10.3
147.12657	1.3
148.08792	1.2
149.09608	82.6
149.13248	4.7
150.10136	1.1
150.96863	1.4
158.10895	4.5
160.05054	100.0
161.09604	1.4
163.07501	3.3
163.11179	2.6
163.14821	2.4
173.09589	2.8
173.13254	15.2
191.06903	1.1
191.10677	9.8
191.14296	55.1
192.05959	1.2
192.07654	16.7
192.14549	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.02389	0.9
53.03944	2.2
55.01865	3.1
55.05515	5.5
56.96556	1.3
57.07067	1.7
59.04986	1.0
65.03939	1.7
67.05502	25.3
69.03434	5.2
69.07063	9.5
70.16850	1.8
70.17236	2.1
71.04989	24.2
73.55981	0.9
79.05062	1.0
79.05491	16.0
81.07058	15.8
83.04976	4.1
83.08604	3.2
85.06540	9.6
91.05476	23.2
93.04230	0.8
93.07034	19.0
95.04961	15.9
95.08033	1.5
95.08600	16.4
97.06516	9.0
99.08134	1.6
103.05464	2.8
105.07030	41.6
107.04942	2.3
107.07850	1.7
107.08595	54.4
109.06517	23.1
109.10152	85.8
110.10497	1.7
111.08078	2.4
115.05421	2.4
116.06221	1.4
117.07020	6.7
119.06129	1.4
119.08587	15.8
121.06513	10.4
121.10139	50.6
123.08070	20.4
129.06999	3.8
130.07765	1.2
130.56511	1.0
131.04941	1.3
131.08562	48.3
133.10126	29.6
135.08049	67.7
135.11678	3.6
143.08572	4.5
144.09325	2.2
145.10114	16.8
146.05957	1.0
147.08055	2.2
147.11682	17.2
148.08838	3.3
149.09610	11.0
149.13266	12.6
150.10361	4.0
158.10918	10.4
160.05026	3.0
161.09618	3.8
163.11156	2.7
163.14801	2.6
168.03004	1.0
170.02267	0.9
173.13257	46.1
174.18222	0.9
176.11952	1.8
191.03346	2.5
191.06970	1.5
191.10704	5.5
191.14301	100.0
192.14697	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03968	0.8
53.03935	5.0
55.01860	4.6
55.05265	1.0
55.05506	13.1
56.96557	1.7
57.03415	3.2
57.07055	3.8
65.03921	3.3
67.05499	20.2
68.99787	0.9
69.03419	37.9
69.07058	10.6
70.96027	2.1
71.04966	3.6
77.03902	1.5
79.05482	72.9
80.05840	1.0
81.03406	3.1
81.07049	62.4
83.04971	18.9
83.08595	3.7
85.06519	3.9
89.03903	1.9
90.94806	1.1
91.05466	38.1
93.07033	38.0
95.04953	19.1
95.08593	15.6
97.06511	7.2
103.05450	7.0
105.03374	1.2
105.04471	1.4
105.07015	43.4
107.04942	49.8
107.08582	92.7
108.08881	1.0
109.06499	18.1
109.10140	26.8
110.07311	1.0
111.04475	1.3
111.08040	3.4
115.05410	4.1
116.06211	2.0
117.03331	1.1
117.07021	13.1
118.04124	1.8
119.08568	17.1
121.06498	21.4
121.10125	32.9
122.07294	4.1
122.10420	0.9
123.08050	7.8
123.11644	1.2
125.48143	0.9
128.06175	1.4
129.06976	7.4
130.07773	3.4
131.04871	4.9
131.07567	1.5
131.08556	31.7
132.05626	1.6
133.10115	100.0
135.04414	1.2
135.08029	36.4
135.11681	10.2
136.08727	1.4
137.09608	22.2
143.08548	7.9
144.09315	2.7
145.06508	6.0
145.10103	29.0
146.05965	1.8
146.10419	1.4
147.08014	3.0
147.11674	10.3
148.05173	1.9
149.01118	1.1
149.05946	2.2
149.09587	12.8
149.13251	19.3
155.08577	5.9
157.10187	1.0
158.07347	1.4
158.10896	11.6
160.05038	12.4
161.09602	3.0
163.07518	3.2
163.11166	11.3
163.14789	4.0
173.05896	1.6
173.09593	17.4
173.13239	33.7
176.04666	1.2
191.03333	14.0
191.06996	7.8
191.10654	28.7
191.14287	84.0
192.03688	1.0
192.07719	2.1
192.10944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.07136	0.8
53.03928	2.1
55.01866	2.2
55.05500	7.8
56.96545	1.9
57.03425	1.7
57.07052	3.2
59.04976	3.1
63.12877	0.7
65.03922	1.6
67.05499	9.6
69.03412	7.1
69.07061	11.8
71.04976	3.5
71.60880	1.5
72.93760	1.2
79.05484	12.9
81.03401	1.2
81.07046	14.6
83.04967	5.9
83.08592	5.8
85.06531	1.9
90.94786	0.9
91.05473	25.8
93.07032	22.6
95.04959	7.4
95.08598	15.1
97.06518	11.5
99.08100	0.9
103.05463	5.8
105.07022	46.1
107.04958	4.7
107.08582	35.6
109.06503	8.3
109.10154	8.7
110.07127	0.7
111.08043	3.2
112.66162	0.8
115.05448	3.6
116.06204	1.7
117.07021	9.4
118.04153	1.3
118.07826	0.9
119.08565	18.3
120.08065	1.9
121.06485	13.2
121.09306	1.2
121.10138	20.9
123.08047	7.8
123.11681	2.2
128.06215	1.7
129.06978	6.1
130.07745	3.6
131.04904	3.3
131.08557	45.2
132.95822	1.2
133.06511	1.9
133.10114	100.0
134.10425	0.9
135.08047	19.5
135.11687	6.1
137.09589	1.0
143.08546	8.0
144.09332	3.0
145.06459	2.4
145.10106	28.9
147.08098	2.4
147.11668	13.3
148.05153	2.6
149.05888	1.4
149.09605	11.6
149.13245	9.9
150.96834	1.4
155.08571	1.7
158.07301	1.1
158.10899	13.1
158.25914	0.8
159.08006	0.9
159.18387	0.8
160.05043	12.4
161.09561	1.0
163.04079	1.0
163.07510	2.9
163.11154	7.4
163.14838	4.6
173.05933	1.2
173.09634	5.0
173.13243	48.3
174.13626	1.0
176.04782	0.8
176.11913	1.0
191.03395	2.4
191.06880	5.4
191.10678	12.5
191.14287	59.6
192.07730	1.6
192.14645	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.8
55.01868	2.0
55.05510	12.1
56.96551	1.3
57.07065	3.1
59.05001	2.0
65.03918	3.8
65.46170	1.1
67.05501	15.2
68.08221	1.0
68.95930	1.1
69.03428	45.6
69.07077	10.2
69.65009	9.0
71.04973	2.2
77.03883	1.6
79.05489	78.7
80.05810	1.3
81.03388	3.0
81.07053	70.6
83.04550	1.7
83.04986	20.5
83.08606	3.5
85.06529	4.4
91.05475	32.3
93.07030	28.1
95.04964	12.5
95.08590	11.9
97.06525	5.3
98.21436	2.3
103.05459	2.6
105.04520	2.3
105.07027	25.1
105.87714	1.2
107.04954	47.6
107.08589	100.0
109.06506	10.6
109.10141	11.0
111.08060	3.7
117.07014	7.1
119.06001	1.7
119.08578	12.9
121.06498	16.7
121.10141	22.1
122.07272	3.5
123.08060	6.8
125.09604	1.5
128.06073	1.3
129.07016	2.2
130.07748	2.1
131.04897	2.0
131.08563	20.6
133.06538	1.8
133.10126	68.3
135.08047	15.7
135.11705	7.0
136.08783	1.9
137.09613	20.9
143.08533	3.2
144.09366	2.7
145.10138	11.9
147.11639	6.8
149.05948	1.7
149.09612	7.6
149.13258	16.3
158.10893	7.1
160.05014	5.6
161.09515	2.0
163.07527	2.6
163.11218	1.8
163.14771	4.1
173.09698	1.5
173.13243	20.5
191.03412	2.3
191.07014	3.5
191.10634	5.0
191.14301	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03935	1.6
55.01833	0.8
55.05285	0.7
55.05505	6.6
57.03424	2.1
57.07076	1.0
57.10871	0.8
58.42481	0.8
60.69718	0.7
61.01666	0.8
63.80096	0.8
65.03946	1.5
67.05499	7.1
69.03073	1.3
69.03424	23.5
69.07069	5.8
69.72144	4.9
71.04967	1.7
79.05059	1.4
79.05486	16.2
81.03390	0.9
81.04379	1.0
81.07050	14.3
83.04980	5.1
83.08602	2.0
91.05479	9.6
93.07034	10.7
94.39925	0.8
95.04961	2.5
95.08595	6.1
95.72273	0.8
97.06524	1.3
103.05430	1.2
105.06380	1.6
105.07022	19.0
107.04945	8.3
107.08583	31.5
109.06493	2.9
109.10145	9.8
111.08046	1.2
115.05439	1.5
117.06989	3.3
118.07790	1.0
119.08569	9.1
121.06514	4.7
121.09303	1.5
121.10131	20.0
122.07253	2.9
123.08026	3.4
129.06985	2.3
131.08551	15.6
133.10117	100.0
134.10454	1.3
135.08009	7.0
135.11710	6.7
137.08644	1.3
137.09610	14.4
143.08563	4.4
144.09340	1.3
145.10092	9.5
147.08055	1.1
147.11708	5.0
149.09605	5.9
149.13242	15.1
158.10887	10.6
160.05046	2.3
161.09604	1.8
163.14833	5.0
173.13249	25.5
188.69580	0.9
191.03342	1.1
191.10655	2.6
191.14282	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Damascenone
Peak:m/z	Relative Intensity
53.03932	1.3
55.01860	1.1
55.05491	3.5
56.96561	1.3
57.07072	1.4
58.16835	0.6
65.03909	1.3
67.05505	4.2
69.03084	0.8
69.03426	12.9
69.06723	1.0
69.07066	13.7
71.04987	2.1
71.59560	0.8
72.93765	0.9
77.58495	0.7
79.05484	16.5
81.07049	10.0
83.04980	4.4
83.05392	0.6
83.08602	1.8
85.06522	1.6
91.05476	15.2
93.07033	13.9
95.04940	2.7
95.08581	6.7
97.06512	2.8
103.05458	2.9
105.07020	31.2
106.07848	1.0
107.04951	7.0
107.08582	19.5
109.06521	7.7
109.10149	2.1
111.08083	4.9
115.05450	2.4
116.06236	1.3
117.07008	5.8
119.08575	28.4
121.06506	8.1
121.10133	24.0
123.08076	8.0
127.06601	0.7
127.09426	0.8
129.06950	2.4
130.07755	1.8
131.08560	21.2
132.05571	2.7
132.95775	0.8
133.10120	9.1
135.08047	16.7
135.11642	3.6
137.09628	1.4
143.08565	3.7
144.09412	1.2
145.06505	0.8
145.10115	12.6
147.08025	1.6
147.11659	10.3
147.12657	1.3
148.08792	1.2
149.09608	82.6
149.13248	4.7
150.10136	1.1
150.96863	1.4
158.10895	4.5
160.05054	100.0
161.09604	1.4
163.07501	3.3
163.11179	2.6
163.14821	2.4
173.09589	2.8
173.13254	15.2
191.06903	1.1
191.10677	9.8
191.14296	55.1
192.05959	1.2
192.07654	16.7
192.14549	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03932	1.5
55.01867	3.2
55.05503	8.7
56.96553	4.3
57.03422	3.2
57.07064	4.2
58.06659	1.3
59.04983	1.5
61.27519	1.1
67.05496	13.2
67.95661	1.5
69.03422	6.9
69.07062	13.0
71.04697	1.1
71.04996	12.4
71.39317	3.4
72.16833	1.3
73.02876	1.5
74.09750	1.5
77.03913	1.7
79.05492	16.1
81.07056	16.9
83.04970	5.9
83.08609	4.1
84.86665	1.2
85.06519	5.7
91.05473	27.5
93.07033	22.6
95.04964	27.4
95.08599	18.2
97.02896	1.4
97.05937	1.8
97.06509	9.2
97.25962	1.4
98.97562	2.1
99.08085	1.8
103.05473	8.1
105.07022	53.4
107.04955	5.1
107.08585	39.2
109.06499	14.7
109.10146	14.8
111.08047	2.2
115.05425	3.8
115.91380	1.2
116.06227	3.3
116.98589	1.6
117.07018	17.0
118.07864	1.4
119.06085	1.6
119.08571	32.0
120.08112	3.4
121.06507	9.7
121.10127	27.1
123.08086	7.5
123.11697	12.3
124.59240	1.3
128.06201	2.3
129.07013	7.8
130.07780	5.3
131.04919	3.6
131.08559	59.1
132.05544	2.6
132.95811	1.5
133.06470	3.4
133.10120	100.0
134.10548	1.3
135.08041	23.7
135.11668	5.8
136.08821	2.2
137.09622	2.8
143.08530	12.3
144.09317	4.6
145.06465	2.4
145.10121	42.1
146.06001	11.8
147.08043	3.8
147.11684	25.0
148.05214	1.7
148.08771	1.7
149.02332	5.2
149.05972	1.8
149.09616	17.7
149.13240	24.9
150.96828	2.9
155.08569	3.8
158.10899	18.5
159.08080	2.1
160.05055	60.7
163.07521	5.9
163.11153	7.5
163.14803	4.5
173.05923	1.6
173.09618	5.6
173.13249	68.6
176.04686	2.2
191.03488	2.1
191.06902	9.4
191.10664	14.6
191.14297	71.8
192.07671	8.7
192.14464	1.6
197.68401	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	191.1065
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03942	1.3
55.01876	2.6
55.05506	4.3
56.05048	0.7
56.96557	1.9
57.03436	1.4
57.07070	1.6
61.01167	0.6
65.03954	1.0
66.81679	0.4
67.05497	7.4
69.03426	10.4
69.07069	3.6
70.02945	0.8
70.06577	1.4
70.67010	0.5
71.04993	2.9
71.48132	1.1
71.48467	0.6
72.08137	0.8
72.93781	2.0
79.05488	16.1
81.03416	0.9
81.07047	7.5
82.06599	0.6
83.01339	1.1
83.04978	4.0
83.08604	1.0
84.08141	0.9
85.06534	1.6
87.05592	1.0
90.94824	1.9
91.05477	24.7
92.05783	0.5
92.90192	0.5
93.07036	12.7
95.04963	5.8
95.08595	5.5
97.02912	0.6
97.06528	1.9
98.06103	0.5
98.97564	0.6
99.04479	0.5
103.05487	2.6
105.07023	27.8
107.04958	6.7
107.08586	17.5
108.08905	0.7
108.95897	0.9
109.06519	4.6
109.07615	0.5
109.10134	2.3
110.07182	0.6
111.04418	1.2
113.96437	0.8
115.05439	4.4
116.06239	3.0
116.98626	0.6
117.07012	14.2
119.04958	1.0
119.08575	16.0
120.08088	1.2
120.08854	0.5
121.02823	0.7
121.06503	9.3
121.10134	10.7
122.07252	0.7
123.04477	0.6
123.08092	3.2
123.11655	0.6
128.06181	2.4
129.06989	7.4
130.07785	6.1
131.04938	2.1
131.08560	59.2
131.97433	1.4
132.05553	3.5
132.08936	1.3
132.95796	1.6
133.06519	2.6
133.10123	9.7
135.04446	3.0
135.08038	13.9
135.11679	4.1
137.05980	4.5
143.08557	3.9
144.09357	0.9
145.06500	5.2
145.10114	34.6
146.05989	1.0
146.10451	1.1
147.04379	0.5
147.08040	6.7
147.11685	10.3
148.05078	0.8
148.08740	1.4
149.01251	0.6
149.05969	4.1
149.08392	1.1
149.09602	13.5
149.13271	3.5
149.96109	1.1
150.06764	3.0
150.96898	5.4
153.07004	0.9
155.06062	0.6
155.08553	4.1
158.07277	2.1
158.10896	3.5
160.05054	100.0
161.06004	1.2
161.09564	1.3
161.13242	1.3
162.06749	0.5
163.07529	33.8
163.11162	11.7
163.14792	1.3
164.07971	1.0
164.11740	0.5
167.97206	2.4
173.09612	17.1
173.13239	11.9
173.14685	1.0
173.26857	0.5
176.04642	0.5
176.08311	1.7
180.73569	0.5
190.98781	1.1
191.03320	1.7
191.06917	4.7
191.10658	76.0
191.14278	17.8
191.97182	0.7
192.07687	18.6
192.10962	1.3
193.51285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
50.36993	0.7
53.03927	1.4
55.01870	5.2
55.05508	4.3
56.05008	1.1
56.96561	6.2
57.03423	2.7
57.07063	1.7
61.37869	0.7
65.03924	1.6
67.05177	1.1
67.05502	16.7
68.05038	0.9
69.03074	0.9
69.03428	17.9
69.07066	4.9
70.06577	2.4
70.26870	3.2
70.95863	0.8
71.01356	0.8
71.04970	2.0
72.08115	0.8
72.12135	0.6
72.93783	3.9
73.02921	1.0
77.03929	0.8
79.05486	15.2
80.04935	0.9
81.03392	2.3
81.07047	8.6
83.01314	2.0
83.04974	3.7
84.04509	1.1
84.08125	1.7
85.02882	2.4
85.06564	0.8
86.09682	1.7
87.04441	1.0
87.80168	0.7
89.03883	1.7
90.94836	3.4
91.05481	24.0
93.06461	1.1
93.07040	14.5
95.04962	13.6
95.05991	0.8
95.08609	8.3
97.02880	2.3
97.06509	3.2
98.20778	0.7
98.97588	1.8
103.05442	4.3
105.04507	0.8
105.07028	27.8
107.04951	7.8
107.06068	1.0
107.08590	22.7
108.95856	1.2
109.02825	1.4
109.06510	10.0
109.07211	0.8
109.07629	2.1
109.10160	5.5
110.07131	2.1
111.04433	1.3
111.09209	0.7
113.96383	1.6
115.05455	5.0
116.06213	2.1
116.98618	1.6
117.07007	17.0
118.06580	1.1
119.04938	1.5
119.06010	0.8
119.08576	11.4
120.08070	2.2
121.06502	12.5
121.10139	15.1
122.07203	1.0
123.04417	1.4
123.08076	5.2
123.11691	1.9
125.05920	1.1
127.03887	0.8
128.06221	2.1
129.07001	10.8
130.07800	7.1
131.00179	0.8
131.04935	4.5
131.08562	24.5
131.97421	2.3
132.04375	1.2
132.95865	3.5
133.06483	3.2
133.07442	0.8
133.10123	23.5
134.06003	1.9
134.07169	1.3
134.99644	2.3
135.04433	3.6
135.08043	20.7
135.09085	1.3
135.11674	5.3
136.08597	1.3
137.05949	8.1
143.08539	4.2
144.09317	0.9
144.97990	1.1
145.02798	1.8
145.06474	7.9
145.07596	1.4
145.10115	28.5
145.11275	1.4
146.05966	2.7
146.10532	1.2
146.99635	1.4
147.04439	1.4
147.06984	1.0
147.08026	4.3
147.11649	6.1
148.05177	1.1
148.07642	0.8
148.08765	2.9
148.97675	1.2
149.01218	1.3
149.02312	0.9
149.05933	4.7
149.08365	1.1
149.09622	10.3
149.13278	4.0
149.96092	2.1
149.98454	1.3
150.06702	4.6
150.10263	1.9
150.96887	11.1
151.10982	1.6
153.06979	2.5
154.07695	1.4
155.08543	32.0
156.08888	1.5
158.07237	3.7
158.10873	3.6
159.07941	0.7
160.03932	2.1
160.05067	3.2
161.01190	1.3
161.06003	1.3
161.09653	1.3
162.06781	1.3
163.03880	3.0
163.07536	39.8
163.11159	17.4
163.14833	1.8
164.06992	4.2
166.98749	1.2
167.05577	0.8
167.97153	3.8
173.02342	22.5
173.05882	1.1
173.09615	38.7
173.13242	12.3
174.10175	1.8
175.07526	1.2
176.04669	1.5
176.08318	3.7
177.00694	1.7
178.04967	0.9
179.04689	0.9
190.98724	1.5
191.03346	1.6
191.07018	7.8
191.10661	100.0
191.14281	19.5
191.97064	1.0
192.06534	16.5
192.10947	2.9
195.03296	1.1
209.98114	0.8
213.04372	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	190.1258
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99075	0.7
52.74468	0.5
55.05474	0.9
56.96544	1.1
57.07069	23.0
58.92308	0.6
59.99098	3.7
67.05486	1.1
69.03398	1.2
69.07039	0.9
71.59890	0.9
78.00143	37.3
79.05467	1.6
81.07018	1.2
83.04967	0.7
84.08102	0.9
85.02843	0.7
86.09695	10.0
87.79514	0.6
88.02199	0.6
91.05453	2.5
92.01694	1.3
93.07020	0.8
95.04946	0.7
95.08587	1.2
97.06487	0.7
105.07003	2.6
106.07333	1.0
107.08562	2.2
109.06478	0.8
109.10132	1.3
116.05224	0.7
117.06984	1.1
119.08545	1.5
121.06495	0.8
121.10136	1.8
123.08015	1.0
131.08549	1.6
133.10110	1.6
134.06332	41.6
135.08015	2.5
142.01120	0.5
145.06453	1.2
145.10078	1.8
147.11687	1.0
148.07896	2.6
149.02338	0.9
162.05403	1.2
162.09143	0.6
163.11188	1.0
173.09567	1.2
173.13248	2.1
175.07443	1.1
175.10942	0.7
190.04875	1.2
190.12579	100.0
191.06934	1.1
191.10674	2.9
191.12843	1.6
191.14371	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	191.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.6
55.01861	8.3
55.05500	8.2
55.28054	1.3
56.96544	5.9
57.03424	3.1
57.07074	10.1
60.04512	7.6
61.01137	11.2
61.03673	1.3
65.03925	2.9
67.05495	18.1
69.03128	1.6
69.03426	16.8
69.07061	16.0
70.88671	4.1
71.04987	8.8
71.66174	1.3
72.04510	51.9
72.93774	4.0
78.03345	2.4
78.03785	34.1
79.05482	20.7
81.03390	3.0
81.07050	35.4
83.04963	9.1
83.08604	4.4
85.02902	2.4
85.06540	8.2
86.06061	8.6
90.94817	2.6
91.05473	35.8
93.07038	28.5
94.02916	1.8
95.04962	11.6
95.08598	25.8
97.06514	6.0
98.97558	3.0
99.08073	2.3
100.15097	1.6
102.03755	27.7
103.02158	99.4
103.05427	7.7
105.07020	56.7
107.04966	10.2
107.08583	39.9
108.95839	1.7
109.02848	1.5
109.06500	10.3
109.07624	1.6
109.10166	7.7
111.08046	3.2
111.15208	1.3
113.96434	1.6
114.03788	17.1
114.05521	100.0
115.02212	1.4
115.05411	6.9
116.06225	3.2
116.98586	1.6
117.07018	15.4
119.07771	2.6
119.08560	28.9
120.04794	81.1
120.08070	2.1
121.06506	13.6
121.09285	2.6
121.10128	26.9
123.08083	7.5
126.11236	1.3
128.06181	1.5
129.06985	8.1
130.07762	4.1
131.04927	7.3
131.06389	10.7
131.08562	52.7
131.97406	3.3
132.04768	21.8
132.05634	2.4
132.95811	2.5
133.06453	4.7
133.09105	2.6
133.10117	55.0
134.99635	2.8
135.04449	2.2
135.08047	22.4
135.11664	8.5
137.13202	3.8
143.08554	10.3
144.09341	3.0
144.98015	2.5
145.06422	5.4
145.10110	35.7
146.06012	11.5
146.07111	2.0
147.08020	5.6
147.11679	27.8
148.05151	2.8
148.08691	1.8
149.01216	2.8
149.07414	44.6
149.09572	27.9
149.13243	15.8
149.96112	4.2
149.98500	2.7
150.96898	8.2
155.08531	5.1
155.14250	2.2
158.07291	3.0
158.10907	11.1
159.08069	1.9
160.05054	88.8
161.09613	3.5
161.13257	2.2
163.07483	6.4
163.08673	4.4
163.11131	11.3
163.14824	6.9
165.55096	1.4
167.97151	3.8
171.11685	2.4
171.14853	1.5
173.05968	3.6
173.09573	11.2
173.13254	48.5
174.05821	11.5
176.04623	3.2
191.03358	2.6
191.06952	15.9
191.08475	33.9
191.10641	22.5
191.14297	81.4
192.07669	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	190.0498
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
54.77883	0.2
56.96564	0.4
70.74979	0.5
72.93800	0.2
73.27603	0.2
89.03908	1.2
98.48326	0.2
100.53318	0.2
116.04975	3.7
117.03303	0.2
118.66283	0.2
121.02852	0.2
134.06033	0.6
144.04440	0.5
157.75957	0.2
162.05489	100.0
163.05853	2.3
190.04976	28.4
191.05331	0.7
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
56.05023	0.2
56.96561	0.5
57.03431	0.2
58.06592	0.5
61.01166	0.3
69.03423	0.2
69.07048	0.3
70.30356	0.7
84.08147	0.4
85.06550	0.4
86.09705	0.7
87.10029	0.5
89.03908	1.2
98.20828	0.3
98.97636	0.2
102.09180	0.3
116.04968	3.6
116.98579	0.2
125.84412	0.1
126.12767	0.3
134.06046	0.2
144.04440	0.4
144.13802	1.0
162.05482	100.0
163.05846	2.0
185.07053	0.3
190.04968	28.1
190.14357	0.2
191.05275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16370	0.4
51.41460	0.5
51.99986	0.5
52.93157	0.4
53.03933	1.0
55.01858	0.5
55.05508	4.5
57.07053	0.6
62.65172	0.5
65.03938	1.1
67.05511	3.8
69.03425	9.1
69.07054	2.3
69.65683	3.5
70.06588	0.6
72.08141	1.9
73.44908	0.5
79.05485	3.6
81.03394	1.5
81.07049	4.1
83.04982	2.4
83.85048	0.5
85.02877	1.3
86.09705	1.3
91.05473	9.5
93.07019	3.5
95.04948	2.8
95.08600	1.0
103.05464	1.2
105.03388	1.2
105.07019	24.1
107.04928	1.0
107.08585	4.5
109.06501	1.6
115.05415	1.6
116.06208	1.1
117.07002	3.3
118.08646	0.7
119.04922	1.0
119.08569	39.0
120.08900	0.8
121.06514	2.5
121.10121	3.0
128.06198	2.9
129.06993	3.0
130.07776	1.8
131.08559	11.0
132.05685	1.0
132.09285	0.7
133.06485	3.8
133.10112	15.5
135.08046	5.2
141.06985	4.7
143.08557	6.6
144.09320	1.2
145.06467	3.5
145.10115	8.5
146.07257	1.9
146.10840	1.8
147.08035	18.3
147.09209	0.9
147.11678	21.2
149.09537	1.1
155.08549	1.5
156.09332	26.1
159.08041	17.6
159.11679	4.2
160.05190	0.8
160.08806	6.4
161.05978	1.2
161.09622	8.3
161.13239	21.1
168.83943	0.5
169.10135	0.5
171.11681	31.6
172.11975	1.1
173.09599	1.3
174.10388	28.5
175.10837	0.9
187.11212	1.0
189.09271	2.2
189.12727	100.0
190.13107	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45901	0.7
51.61428	0.7
53.03933	0.8
55.01854	1.3
55.05509	4.9
56.96548	2.6
57.03435	1.3
59.04985	0.9
59.75103	0.7
65.03939	1.6
67.05498	4.1
69.03119	0.7
69.03423	8.0
69.07050	3.1
71.60448	1.3
77.03918	0.9
79.05497	6.3
81.03385	1.7
81.07037	5.6
83.04976	5.6
83.08600	1.2
84.04510	1.1
85.02882	2.1
91.05477	13.6
93.07023	4.5
95.04964	4.4
95.08591	2.9
95.12135	0.7
103.05474	1.7
105.07032	25.5
107.08588	5.2
109.06514	6.1
111.04436	0.8
115.05403	2.6
116.06210	1.2
117.07010	5.3
119.04911	1.4
119.08575	34.0
121.06490	3.2
121.10122	1.7
124.97559	0.8
128.06209	3.9
129.05479	1.8
129.07001	4.2
130.07756	2.2
131.08563	17.2
133.06467	3.4
133.10127	15.1
135.08040	1.3
138.05984	5.1
141.07008	4.2
142.07756	1.8
142.98576	1.4
143.08519	9.6
144.08054	4.3
144.09157	1.1
145.06488	3.1
145.10117	13.8
146.07205	1.3
146.10919	6.7
147.08043	11.2
147.11688	40.0
149.02312	0.7
155.08504	1.3
156.09346	20.6
157.06897	1.3
159.06815	1.4
159.08051	19.7
159.11671	2.6
160.05170	1.7
160.08800	2.8
161.05974	3.3
161.09579	5.0
161.13237	6.4
162.05463	1.1
166.07658	1.3
166.09137	5.2
166.59236	1.5
171.11682	20.2
173.09576	4.7
174.10393	21.8
177.59872	1.1
189.05438	2.6
189.09160	5.4
189.12729	100.0
189.16336	7.0
190.04941	1.6
190.13060	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	188.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09696	0.3
70.10992	0.9
70.11409	0.6
80.64567	0.3
84.04490	0.8
91.05466	4.8
103.05441	0.4
112.34944	0.3
115.05439	6.6
115.06246	0.4
116.06192	0.4
117.05780	1.4
117.07007	5.3
118.06529	72.5
119.06857	1.3
128.04926	0.5
131.01331	0.3
132.08067	0.7
140.05048	0.4
142.06506	6.1
143.07297	11.4
144.04393	0.5
144.08072	25.4
145.06458	0.9
145.08412	0.6
146.05992	100.0
147.06335	2.4
148.97119	0.3
155.05989	0.8
160.07549	1.0
170.05992	9.1
188.07047	19.0
189.07341	0.7
200.73169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1233
Annotation	19461-38-2
Peak:m/z	Relative Intensity
55.05502	0.5
56.05018	0.4
56.96561	1.5
60.04517	0.4
60.05636	0.3
67.05500	0.4
69.03429	1.9
69.07059	0.7
70.06579	2.2
71.34869	0.7
72.08156	0.6
72.93772	0.6
73.02907	0.3
74.06102	0.3
78.89478	0.4
81.03407	0.5
81.07068	0.4
83.04971	0.9
84.04488	0.6
84.08139	1.5
85.02866	0.6
86.09697	100.0
87.10014	1.3
90.03439	0.5
90.94808	0.5
91.05494	0.5
95.08602	0.3
97.02895	0.3
98.97585	0.9
105.07032	0.7
111.04412	0.4
116.98610	0.8
118.06539	0.8
118.07337	0.3
119.06847	1.7
119.08593	0.6
128.00764	9.8
128.01733	0.5
128.06291	0.3
129.05502	0.3
130.08643	0.8
131.97453	0.3
132.10191	32.2
133.06514	0.4
133.10555	0.5
134.99678	0.7
143.08560	0.4
143.11784	16.8
144.08104	1.3
145.08417	0.4
146.06013	0.7
146.96210	0.3
147.06339	2.0
147.96916	0.8
148.08607	0.3
148.97456	0.5
150.96907	0.8
156.09314	0.6
162.05536	0.7
162.10179	0.3
165.97894	0.4
171.11523	0.5
189.06032	1.2
189.12402	1.4
190.04945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
57.29519	0.3
68.88118	0.3
70.76977	0.7
70.77350	0.6
91.05476	4.3
93.24012	0.3
103.05432	0.7
110.65479	0.3
112.43104	0.3
114.62772	0.3
115.05452	6.6
116.05011	0.3
117.05771	1.9
117.07005	5.6
118.06535	83.3
119.06870	1.2
132.08067	0.8
136.56302	0.3
142.05466	0.5
142.06523	7.3
143.07297	12.5
144.04405	1.0
144.08073	27.3
145.06496	1.3
146.05998	100.0
147.06303	1.3
155.06030	0.7
160.07538	1.4
170.06007	10.2
188.07047	12.9
203.70721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03932	0.5
55.05508	0.7
56.96551	1.8
57.03419	0.4
57.07069	4.7
58.55860	0.4
65.03934	0.3
67.05498	2.5
69.03426	1.0
69.07060	0.6
70.09296	1.2
79.05470	2.1
81.03412	1.4
81.07038	2.7
83.08620	0.8
84.04493	0.9
85.02891	0.7
86.06103	0.4
88.02190	1.6
91.05467	4.8
93.07034	1.2
95.04964	0.4
95.08606	0.7
99.04470	0.4
103.05470	0.7
104.90789	0.5
105.03374	1.0
105.07018	11.3
107.08571	0.9
109.10135	0.7
113.92657	0.4
115.05463	1.4
116.06226	0.8
117.06998	7.6
119.08562	8.7
127.03863	0.4
128.06209	2.3
129.06998	5.9
130.07780	7.3
131.08559	11.2
133.10109	1.7
141.06966	1.8
142.07759	1.7
143.07669	0.2
143.08543	10.3
144.09325	4.3
145.06497	1.9
145.10106	100.0
146.10464	2.5
154.07732	2.8
157.06461	1.0
157.10117	9.1
158.07253	0.9
158.10883	4.8
159.07991	1.1
159.11671	16.1
160.12053	0.5
169.10100	5.9
170.10767	0.4
172.08817	5.2
172.12468	8.0
173.09325	0.6
182.03239	0.5
185.13293	0.7
187.06152	0.6
187.07504	0.6
187.11191	14.2
187.14796	48.8
188.07056	0.6
188.09247	0.6
188.15166	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	187.1478
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
50.39994	0.5
51.45012	0.4
52.70520	0.5
53.03951	1.2
55.01865	0.8
55.05506	2.2
57.07070	5.0
58.43262	0.4
61.30986	0.4
65.09606	0.5
67.05497	10.2
69.03412	1.4
69.07061	3.9
70.66852	1.7
78.09743	0.5
79.05492	6.6
81.03398	2.8
81.07047	6.9
83.08617	1.4
84.04520	1.2
85.02891	0.9
88.02203	3.3
89.04249	2.9
91.05471	23.8
93.07027	7.1
95.04951	2.2
95.08571	3.1
96.57607	0.6
98.98476	1.5
99.04442	0.9
101.92815	0.5
103.05459	1.1
105.07021	26.4
106.07320	0.8
107.08585	4.2
108.95850	0.5
109.10142	0.6
113.00004	1.9
115.05395	2.7
116.06227	2.0
117.07005	22.0
119.08570	20.5
121.10146	2.9
125.00007	4.0
127.10250	0.5
128.06201	2.3
129.06990	8.2
130.07797	6.7
131.08556	59.4
132.08891	1.3
133.10109	4.0
141.06989	1.7
142.07730	2.8
143.08556	7.0
144.09328	6.3
145.06445	1.5
145.10106	100.0
146.10519	2.3
153.06953	0.7
154.07758	1.9
157.10117	6.0
158.07195	0.7
158.10887	2.4
159.08029	1.9
159.11681	20.9
169.10139	2.4
172.08810	1.3
172.12436	1.7
185.13298	0.8
187.07458	1.1
187.11223	9.9
187.14796	79.4
188.09119	0.7
188.15193	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	186.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08105	0.2
53.03933	0.2
53.29609	0.1
55.01881	0.1
55.05492	0.8
56.05028	0.3
56.96560	0.3
57.03427	0.4
59.06120	0.2
60.95802	0.1
63.29924	0.2
67.05489	0.3
68.05009	0.4
69.03426	0.8
69.07068	0.4
70.06584	100.0
70.75327	0.5
71.04965	0.3
71.06918	1.3
72.08147	11.9
72.93777	0.3
79.05505	0.2
80.06295	0.1
81.03403	0.6
81.07071	0.3
82.06573	0.2
83.06096	0.2
84.04507	0.5
84.08132	0.8
85.02895	1.2
86.09706	0.7
88.07608	0.2
89.03899	1.3
96.09029	0.2
97.02904	0.3
98.06055	0.2
98.09695	0.3
98.97580	0.2
99.04466	0.3
99.05598	0.2
100.07599	0.4
100.11275	0.2
103.05443	0.2
103.24017	0.2
105.07029	0.2
109.10109	0.2
110.05996	0.2
110.09684	0.2
110.30816	0.2
111.09202	0.2
114.05509	1.4
116.98649	0.3
117.03362	2.4
119.26544	0.2
121.00789	0.5
123.11682	0.4
126.05509	0.8
126.06618	0.2
127.03945	0.3
129.10213	0.3
130.06488	0.3
131.04930	0.3
134.99693	0.2
138.05528	0.3
139.01791	1.2
140.07092	0.3
140.14371	0.3
144.07732	0.5
145.02824	2.6
147.04407	0.3
148.99890	0.2
152.14345	0.6
158.06061	0.6
163.01799	1.2
168.13818	2.8
170.15393	3.8
170.16747	0.3
177.00610	0.2
181.02855	2.3
186.05507	0.6
186.07568	0.4
186.14816	1.5
187.07495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1171
Annotation	trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
Peak:m/z	Relative Intensity
53.03946	1.2
53.06451	0.6
55.01865	3.2
55.05508	10.8
56.96556	1.6
57.03427	1.8
57.07073	1.9
59.05009	1.1
63.34530	0.6
67.03038	0.6
67.05165	1.3
67.05502	18.4
68.05057	0.7
68.99789	0.7
69.03435	2.1
69.07064	100.0
69.75064	4.3
70.06589	1.2
70.07405	0.8
71.04989	30.0
72.05347	0.6
72.08152	3.6
73.06550	13.8
79.05488	23.1
80.05013	1.9
81.03426	3.5
81.07053	52.6
81.82813	0.5
82.06582	0.7
82.07396	0.7
83.04979	5.0
83.08611	1.1
84.04508	2.5
84.08142	3.5
85.02904	1.6
85.06542	4.6
86.09695	4.6
87.04464	7.7
89.03911	1.3
91.05481	2.8
93.07039	21.1
94.07399	0.7
95.04964	3.3
95.08599	16.3
97.06523	25.1
97.10162	0.7
99.04489	1.0
99.08114	2.8
101.06025	1.9
102.96904	0.6
103.05448	2.9
105.07018	2.9
107.04966	0.9
107.08588	5.7
109.06518	1.3
109.10166	1.8
111.04438	1.8
111.08114	1.8
111.09206	0.8
112.11308	0.8
113.06008	1.2
114.05550	1.8
115.07571	4.9
117.03335	0.8
119.01870	0.6
119.37280	0.5
120.76244	0.6
121.03098	0.6
121.06477	1.2
121.10132	19.5
122.09718	1.8
123.08067	22.5
123.11725	2.2
125.05993	6.5
125.07912	0.7
125.09619	1.9
126.01093	2.3
126.05533	1.6
128.02646	0.6
128.06224	1.7
129.07018	2.1
130.06531	2.2
131.04916	3.4
131.08554	1.3
139.01843	1.4
139.03851	0.7
139.07512	0.9
139.11171	30.9
140.10695	9.1
140.11646	1.1
141.07074	0.6
142.07793	2.8
143.00169	1.4
143.07024	20.5
143.08569	2.3
146.03674	1.2
147.58446	0.6
149.09602	2.9
153.05476	1.2
157.10156	2.6
158.06021	4.4
161.01250	2.3
161.08064	1.2
167.10666	17.3
170.10970	1.3
180.42087	0.7
181.02922	1.5
185.04730	2.4
185.09709	2.4
185.11771	14.9
185.13321	3.5
186.05562	2.4
186.11296	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	184.0967
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
50.67010	0.7
52.69069	0.8
55.01866	4.0
55.05500	4.0
56.05031	3.6
56.96566	7.1
57.03444	1.1
57.07071	5.8
58.06606	1.8
58.49061	0.7
59.06126	1.5
60.04530	1.3
60.76958	0.7
63.95541	0.7
65.03934	1.9
67.05499	19.6
67.40629	0.7
68.05034	2.8
68.05836	0.8
69.03433	2.6
69.07068	8.1
69.61946	5.8
70.02969	1.5
70.06585	19.4
71.04999	2.9
72.04533	2.7
72.08161	3.1
72.93772	3.8
73.02924	2.3
73.06571	0.8
74.00211	0.7
78.05611	0.7
79.05502	3.3
80.05022	1.3
81.05813	1.5
81.07053	5.5
82.06591	2.9
83.04990	2.1
83.05649	0.7
83.06117	3.3
83.07373	1.2
83.08614	0.8
84.04517	3.2
84.08141	4.1
85.02901	2.1
85.06560	2.7
85.07661	1.5
86.06065	2.0
86.09705	8.6
88.96867	0.9
90.94839	1.7
93.00166	0.7
93.07055	1.4
94.06583	2.0
95.04958	28.0
95.06075	2.0
96.04514	1.9
96.05298	1.0
96.08125	14.4
96.21223	0.7
97.02879	1.5
97.06536	3.1
97.07654	2.2
98.02477	0.8
98.06062	1.6
98.07248	0.7
98.09703	1.6
98.97579	2.6
99.05562	1.0
100.07645	1.2
100.63283	0.7
101.00893	2.0
101.95043	0.7
102.05540	1.1
102.09166	1.2
107.01836	0.8
107.06053	0.8
108.08134	0.8
109.07630	2.7
110.06051	2.3
110.07165	1.2
110.09694	1.3
111.05566	0.8
111.08133	0.8
111.09210	2.6
112.07617	3.4
113.05981	5.7
113.07154	1.5
113.96422	1.5
114.09164	1.6
116.98630	2.6
119.01913	36.6
119.04935	0.8
119.96039	0.8
120.02000	1.5
120.08073	1.3
121.03952	0.7
121.07611	1.2
122.06010	1.1
123.08054	0.8
123.09143	1.1
123.91866	0.7
124.03944	2.1
124.07581	100.0
124.11185	1.7
125.06136	0.9
125.07104	3.2
125.07901	1.7
126.05528	1.2
127.08574	1.1
130.08649	1.1
131.07016	5.5
131.97412	1.4
134.99649	3.5
136.08679	1.7
137.02948	21.3
137.97121	0.8
138.05466	1.0
138.09111	2.3
138.10355	0.6
138.12761	0.9
138.98959	1.2
139.08612	1.8
140.07080	1.0
140.10695	20.8
141.04961	0.7
142.03519	7.6
142.04671	1.0
142.08620	10.9
142.09615	1.3
142.12251	3.7
143.00279	0.7
143.03648	0.9
149.02481	0.8
156.10199	1.7
156.13869	2.4
160.04523	4.0
160.95285	1.0
161.01204	1.9
161.02910	2.3
161.04683	0.9
166.08591	11.2
166.09755	1.3
166.12317	1.7
167.08110	1.3
168.17130	0.7
179.03928	3.7
179.05453	0.8
184.07799	1.3
184.09636	41.7
184.13268	17.4
185.07027	1.0
185.10455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.073
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.27549	0.5
56.05031	1.5
58.06596	1.0
60.08157	19.8
60.95836	0.7
70.06582	0.6
70.58848	0.5
70.59185	1.3
71.06970	0.9
71.07367	12.6
84.08101	0.6
85.06524	0.8
86.09698	100.0
87.10013	1.5
87.19998	0.5
98.21393	0.6
98.98457	18.2
101.95036	1.7
102.96844	0.7
103.04462	0.4
104.10743	4.0
116.99457	0.8
119.96059	1.4
120.97911	1.0
121.20543	0.5
122.64697	0.5
124.75095	0.5
124.99992	81.1
127.25854	0.5
137.97086	2.1
138.09175	0.7
138.98964	1.7
142.07730	0.6
143.01028	1.8
143.56758	0.4
155.98132	1.4
184.07324	92.9
185.07671	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	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
51.39354	0.3
54.07602	0.2
56.05030	1.6
58.06600	0.8
60.08156	19.4
66.51967	0.2
70.06589	0.3
71.06967	0.6
71.07365	11.6
86.09695	100.0
87.10032	1.9
98.21593	0.5
98.98454	17.6
101.18373	0.3
101.95039	0.7
102.96867	0.5
104.10729	4.2
107.37637	0.2
116.99522	0.4
119.96038	0.5
120.97961	0.3
122.70211	0.2
124.99986	75.4
126.00330	0.5
137.97101	0.5
138.98927	0.3
143.01018	0.9
184.07315	99.2
185.07727	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0729
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05032	1.5
58.06608	1.0
59.07385	0.4
60.08156	20.9
61.08474	0.3
67.52306	0.2
69.37595	3.0
70.06577	0.3
70.91175	0.3
71.07365	12.3
72.23995	0.2
86.09695	100.0
86.29738	0.3
87.09509	0.4
87.10001	1.7
88.80417	0.3
98.98454	19.1
101.95021	0.6
104.10734	5.2
116.99498	0.5
119.96066	0.8
120.97919	0.3
124.99989	82.6
126.00358	0.5
137.97044	0.6
138.98946	0.7
143.01039	1.3
166.02594	0.6
184.07320	94.7
185.07675	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	182.1539
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.03911	0.9
55.01860	1.6
55.05500	8.8
56.96545	1.7
57.03417	1.9
57.07067	3.7
58.02958	42.3
66.16742	0.8
66.34418	0.9
67.05500	25.8
69.03410	1.2
69.07066	75.5
69.63668	6.7
70.06583	4.0
70.07387	1.7
73.98146	0.8
74.06070	1.0
79.05495	7.4
81.03407	1.0
81.07051	21.4
83.04974	2.4
83.08607	6.7
83.85870	0.8
84.08137	10.9
86.06030	1.6
91.05462	5.4
93.06477	0.9
93.07050	13.4
95.04953	4.0
95.08600	7.0
97.06512	3.7
98.06037	2.9
98.09666	2.9
98.97573	4.1
99.97917	1.9
100.07602	6.9
101.11353	1.0
105.07027	16.1
107.08589	21.0
108.08894	0.9
109.06510	2.2
109.10151	56.8
110.10473	1.5
112.07584	3.3
114.09160	16.5
116.98597	5.1
117.98951	2.0
119.08560	2.5
121.10127	2.0
123.11697	8.4
126.09154	12.6
126.12766	1.6
128.10690	1.1
129.79747	0.9
133.10129	33.9
134.10420	1.6
134.99641	4.8
135.11682	21.5
135.92332	0.8
136.00005	1.6
136.25587	0.8
138.12772	26.1
140.10635	2.1
140.14331	1.3
147.11700	6.0
151.11169	9.1
153.00764	1.2
153.12746	14.5
154.15874	3.1
164.14323	1.8
165.12814	1.6
178.05545	0.9
182.15395	100.0
183.15733	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	182.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.03936	1.2
55.01862	0.1
55.05944	0.1
56.96560	0.1
65.03934	0.4
67.01842	0.2
67.05506	0.4
68.05047	0.1
69.03414	0.2
69.46805	0.9
70.02949	0.2
70.06577	0.1
77.03939	0.4
79.05489	0.9
79.49487	0.1
80.05023	0.4
80.78671	0.1
81.03408	0.5
81.07043	0.5
83.04969	0.2
84.04504	0.1
91.05471	4.3
92.05761	0.1
93.05782	0.7
93.07035	3.1
94.06569	0.5
94.07349	0.1
95.04963	2.6
96.04504	0.3
98.06055	0.3
98.97601	0.3
102.92950	0.1
105.03345	0.1
105.04523	0.4
106.45901	0.1
107.04933	0.1
108.04483	0.5
108.08114	2.6
110.06003	0.1
116.98636	0.3
122.06029	0.8
123.04424	0.3
123.05536	0.2
126.05509	1.8
126.06400	0.2
134.99667	0.1
136.07567	100.0
137.06982	0.1
137.07938	1.6
139.09758	0.1
140.07057	3.2
140.08159	0.3
152.07092	0.5
164.07051	49.8
165.07419	0.9
182.08105	0.8
182.15253	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	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03948	0.3
55.01862	0.2
55.05518	0.3
55.74453	0.2
56.96571	1.7
57.03426	0.3
61.02883	0.2
65.03937	0.5
67.05486	0.3
70.06595	0.2
70.89967	0.6
70.98105	0.2
71.04990	0.2
77.03890	0.3
80.54892	0.2
81.07058	0.2
84.08125	0.3
84.96016	0.2
85.02905	0.3
88.99219	0.2
90.73880	0.2
91.05472	31.2
92.05781	0.4
93.07025	0.5
95.04961	13.0
98.97573	0.4
100.02500	0.3
103.05474	1.4
107.04974	1.2
108.08109	0.6
109.06499	1.4
116.98611	0.5
118.06535	1.1
119.04932	39.3
120.05260	0.6
121.06488	1.4
123.04417	53.0
124.04750	0.8
129.02066	0.2
136.07565	100.0
137.05974	0.7
137.07903	1.7
138.05469	0.3
138.09058	0.2
144.99820	0.3
147.04391	18.2
148.04781	0.5
149.02898	0.2
158.99625	0.3
160.12137	0.2
164.05655	0.8
164.07028	0.5
165.05458	28.1
166.05945	0.2
177.00731	0.5
177.02341	0.2
182.06650	0.5
182.08072	3.5
182.09531	0.3
195.07034	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	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.02377	0.2
53.03939	1.2
53.28378	0.1
55.01865	0.2
56.96558	0.3
59.86588	0.1
59.88535	0.1
63.98434	0.1
65.03930	0.4
67.01852	0.1
67.05505	0.5
68.16401	0.1
69.03423	0.3
70.02961	0.2
70.91566	0.2
70.91892	0.2
77.03935	0.4
77.86037	0.1
79.05473	0.9
79.59790	0.1
80.05004	0.3
81.03416	0.7
81.07030	0.6
83.04971	0.2
86.06057	0.2
90.08642	0.1
91.05472	4.6
93.05771	0.9
93.07034	3.2
94.06575	0.6
94.07355	0.3
95.04957	2.6
96.04470	0.2
98.39449	0.1
98.97571	0.2
105.04503	0.4
108.04478	0.3
108.08111	2.4
108.08856	0.2
109.06473	0.2
116.98604	0.4
118.06504	0.2
119.04927	0.2
121.10133	0.1
122.06013	0.7
122.10445	0.3
123.04422	0.3
123.05478	0.1
125.06030	0.1
126.05496	2.1
126.06348	0.3
134.99667	0.3
136.07562	100.0
137.07909	1.8
140.07056	3.5
140.08156	0.3
146.10474	0.2
152.07036	0.3
154.08614	0.3
163.40421	0.1
164.07048	49.2
164.11475	0.7
165.07394	1.2
182.08083	0.7
185.13693	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03932	1.3
55.01857	1.1
55.05504	0.9
56.05022	1.1
56.96329	0.5
56.96564	7.2
57.03436	2.5
58.06575	0.6
59.04968	0.9
61.02909	2.1
65.03927	0.7
69.03416	1.9
69.64326	2.2
69.64753	1.2
70.06582	0.7
71.04968	1.7
73.02893	1.5
77.00879	0.5
81.03410	1.6
81.07043	0.7
83.04960	1.3
84.08121	0.7
84.96024	1.0
85.02891	2.2
86.06065	0.6
87.04455	0.6
87.88995	0.5
91.05473	40.4
92.05785	1.1
93.07030	0.5
94.06549	0.8
95.04960	15.7
96.04451	0.8
96.56197	0.5
97.02329	2.1
97.02885	0.5
98.03973	1.2
98.06046	1.2
98.97573	5.4
99.04465	0.5
100.02518	0.7
101.00893	0.9
103.05434	1.2
106.02837	7.2
107.04951	1.6
108.08052	0.9
109.06509	1.2
111.02888	0.7
112.99153	1.3
113.00871	0.5
115.02522	0.9
115.03352	5.8
116.98622	2.8
117.98837	0.6
118.03506	0.7
118.06528	2.0
119.01878	3.1
119.04932	44.0
121.06494	1.2
121.76790	0.5
123.04417	57.6
124.04782	0.8
128.02257	0.9
128.76668	0.5
131.00169	2.4
131.01878	3.2
132.02554	0.6
132.03415	0.6
133.03452	4.1
134.99666	1.9
135.99980	0.6
136.07567	100.0
137.02925	0.7
137.07916	1.3
141.04008	0.8
141.05016	0.5
146.99728	0.6
147.04369	16.7
149.01202	2.3
149.02937	1.9
151.04504	0.7
152.07112	0.8
154.03513	1.9
154.71710	0.6
157.03526	0.7
158.99660	0.7
159.04982	4.2
161.01175	0.7
164.07043	1.0
165.05464	25.7
172.04558	1.0
177.00629	1.7
177.02342	0.8
177.06061	2.2
182.02875	0.7
182.06633	0.9
182.08047	4.3
182.11714	0.6
193.03781	0.7
195.03671	0.5
195.07164	1.8
200.04033	0.8
201.00780	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	182.0811
Annotation	Tyrosine
Peak:m/z	Relative Intensity
51.02369	0.1
53.03917	0.2
54.99545	0.1
55.05504	0.3
56.05022	0.2
56.96553	0.6
57.03429	0.3
59.06113	0.2
65.03934	0.5
67.05502	0.2
68.05009	0.4
69.03416	0.5
70.06579	0.4
70.31473	0.6
70.31850	0.2
71.04984	0.2
71.83865	0.2
72.93790	0.3
73.46935	0.2
74.02432	1.0
79.05478	0.5
80.05009	0.3
81.03410	1.1
81.07039	0.7
82.06580	0.5
83.04962	0.2
83.06102	0.2
84.04494	0.3
84.08134	0.4
85.02888	0.4
86.06054	0.4
90.57269	0.2
91.05473	34.5
91.54993	0.1
92.05807	0.7
93.03391	0.3
93.07063	0.2
94.06542	0.5
95.04955	4.9
95.06034	0.2
96.04477	0.5
98.06049	0.5
98.97569	0.4
103.05452	1.2
104.05759	0.2
106.06562	0.2
107.04938	1.3
108.05260	0.8
108.08128	0.8
109.06536	2.2
109.07636	0.2
110.06052	0.2
111.04439	0.2
113.05913	0.2
116.98598	0.5
117.98903	0.2
118.06535	2.7
119.01888	0.4
119.04932	36.4
120.05260	0.5
121.06481	0.7
122.06009	0.2
123.04420	12.5
124.07610	0.2
125.06043	0.1
125.07053	0.2
131.00024	0.2
131.01859	0.2
132.95718	0.2
134.99608	0.5
136.07564	100.0
137.05998	0.3
137.07947	1.5
140.07043	0.2
140.08165	0.3
142.03415	0.2
144.07256	0.2
144.72295	0.2
146.05960	0.3
146.85750	0.1
147.04399	4.7
152.07065	0.9
154.12225	0.3
158.99513	0.2
160.04562	0.3
162.58372	0.2
164.07019	1.2
164.10706	0.2
165.05463	7.0
176.98473	0.2
177.00615	0.2
182.08083	4.7
182.11560	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03944	6.1
53.39331	0.9
55.01877	8.6
55.05513	30.5
55.87244	1.0
57.03421	2.6
57.07072	1.9
62.86339	1.0
65.03951	4.6
67.05505	100.0
68.05830	1.4
69.03430	2.0
69.07070	18.9
69.48577	8.0
71.04984	2.3
79.05495	70.0
80.05818	1.1
81.03417	24.9
81.07058	97.4
82.07380	1.3
83.04979	36.9
83.08620	12.9
85.06519	3.4
91.05482	56.6
93.06469	2.0
93.07049	42.1
95.04976	14.4
95.08607	73.8
97.06533	34.7
97.10159	4.4
99.08080	2.2
105.07031	29.8
107.08592	13.1
109.06515	7.4
109.09568	1.1
109.10171	13.4
110.45999	1.0
111.08067	9.9
113.09652	9.7
117.06979	2.0
119.04917	2.2
119.08578	32.5
121.10108	5.0
123.04397	1.5
123.08041	3.8
123.11714	1.3
131.08539	1.6
133.06525	1.4
133.10129	20.3
135.11713	7.2
137.09605	3.7
147.04420	3.3
159.11681	1.2
161.06010	2.9
161.09648	1.3
161.13251	16.0
179.03397	4.7
179.06453	2.9
179.08414	1.6
179.10689	4.0
179.14305	51.6
179.85486	0.9
184.37465	0.9
185.14125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03957	2.4
55.01869	3.7
55.05505	5.7
56.96564	18.5
57.03448	1.4
57.07069	14.7
59.05003	2.0
59.06123	1.1
65.03946	2.7
67.05506	4.3
68.05022	1.3
68.24810	0.6
69.03417	4.0
69.07061	5.5
70.06594	1.2
71.05004	2.0
71.59205	0.8
71.95264	2.6
76.39073	0.7
77.03943	0.8
79.05492	14.3
79.05953	0.8
81.03411	6.7
81.07051	9.1
82.05237	0.6
83.04976	36.1
84.08143	1.3
85.02905	1.7
85.06551	1.9
86.06069	0.9
89.03960	0.8
91.05476	14.0
91.06006	1.2
93.07040	32.1
94.06573	1.0
95.04964	17.0
95.06043	1.0
95.08597	4.4
96.04488	0.7
97.02885	1.0
97.06531	18.8
98.06083	1.3
98.97578	57.5
99.04469	0.9
103.05471	1.9
105.04498	1.0
105.07034	9.0
106.32596	0.6
107.04958	4.5
107.08585	21.3
108.08173	1.5
108.26158	0.7
109.06528	2.8
109.10126	1.1
111.04475	0.9
111.08068	1.5
115.05431	0.9
116.98613	81.8
117.07011	2.9
117.99007	0.8
119.04907	1.0
119.08575	6.7
121.02842	1.0
121.06497	7.6
121.10135	46.2
122.06030	1.1
122.07186	2.0
122.10441	1.0
123.04433	0.6
123.05542	0.8
123.08068	4.6
125.05988	42.5
126.05505	1.7
126.06318	1.2
126.41199	0.7
130.07799	1.7
133.10146	0.9
134.99651	100.0
135.04379	1.4
135.08080	5.2
135.11676	13.4
135.99982	0.8
136.07570	63.4
137.05946	0.8
137.09622	1.4
139.07532	0.8
139.09770	0.7
139.11194	0.9
140.00194	3.7
140.07053	2.2
140.08121	1.4
143.08472	0.8
145.10112	11.1
145.11137	1.1
149.01218	0.7
149.02319	0.9
149.05997	2.1
152.07066	1.9
153.00713	23.5
153.12666	1.1
154.08620	1.0
154.09705	0.8
158.01231	8.6
163.03848	2.6
163.11171	72.0
164.07054	31.2
164.08138	1.0
164.11594	1.5
176.02301	1.9
181.05008	3.9
181.06371	1.2
181.08673	3.4
181.10907	1.4
181.12221	23.4
182.08105	2.4
193.53841	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	178.1226
Annotation	Valerianine
Peak:m/z	Relative Intensity
51.05097	0.3
56.05039	0.4
56.96558	0.7
58.53352	0.3
60.04549	0.3
67.05492	0.4
70.83945	0.5
70.84303	0.6
79.05469	0.4
91.05495	1.0
92.05020	0.5
93.07006	0.5
105.07026	0.7
107.08608	0.7
115.05481	0.6
117.07007	1.1
118.06533	9.0
118.96762	1.1
119.07326	9.0
132.08078	1.0
134.09644	60.8
135.10014	1.9
144.08093	0.5
147.04335	0.6
160.11215	1.0
162.09119	3.0
163.09914	1.6
172.95242	0.4
174.00748	0.5
177.98074	0.4
178.12256	100.0
179.03299	0.5
179.12614	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02379	1.0
53.03926	2.0
55.01870	6.8
55.05504	11.0
56.96551	3.0
57.03430	10.6
57.07050	2.7
59.04998	1.1
65.03923	2.2
66.28200	0.8
67.05499	45.6
67.28594	0.6
69.03425	4.2
69.06709	1.2
69.07054	13.8
70.68185	2.8
71.04994	5.8
75.61009	0.7
79.05484	35.3
81.07049	99.2
82.07374	1.2
83.04974	9.3
83.08614	5.0
85.06529	9.6
91.05473	43.4
92.05804	0.9
93.07037	49.7
94.07342	1.2
95.04960	8.9
95.06092	1.3
95.08597	78.4
96.08918	1.7
97.06519	28.1
99.08086	10.4
103.05419	1.1
105.07020	50.2
106.07407	0.9
107.08585	24.8
109.06509	11.6
109.10146	9.8
110.07044	0.8
111.08064	7.0
117.06991	3.5
119.04940	4.9
119.08570	68.0
120.08103	1.2
121.06470	1.2
121.10130	21.7
123.04420	2.8
123.08057	14.9
123.11704	2.0
131.08551	1.6
132.09341	0.9
133.02798	1.3
133.06485	1.8
133.10120	44.7
134.10486	1.0
135.08093	0.9
135.11678	36.7
135.12704	1.7
136.12032	1.2
137.05969	1.4
137.08228	1.6
137.09583	5.9
137.13242	3.1
147.04401	7.9
151.03786	0.9
151.11194	2.6
151.14764	0.9
159.11678	1.5
161.05904	2.2
161.09601	2.6
161.13237	99.1
162.13586	4.8
179.03348	6.4
179.06920	2.8
179.10921	4.3
179.14294	100.0
180.06401	0.9
180.14653	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	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02384	1.0
53.03937	3.8
55.05506	17.0
57.03449	1.2
57.07088	2.4
58.23493	0.9
60.42612	1.2
65.03932	2.2
67.05499	46.3
69.03435	1.4
69.07062	12.4
69.96600	6.0
78.04726	1.1
79.05486	71.6
81.07053	43.1
83.08608	8.7
88.02202	1.4
89.03915	20.5
91.05476	21.7
93.07037	86.7
94.07393	1.1
95.04955	9.1
95.08603	54.5
97.06527	2.3
97.10186	1.4
98.20824	1.7
98.98444	3.8
103.05436	1.9
105.07036	10.7
107.04956	3.5
107.08587	42.8
109.06499	4.2
109.10142	20.5
114.74303	1.0
117.03374	29.7
117.07005	5.4
118.03719	1.7
119.08588	4.3
121.06491	3.4
121.10134	100.0
122.10447	2.6
123.11710	1.4
131.08557	9.9
133.06483	1.7
133.10132	7.7
134.03601	3.3
135.04385	3.8
135.08054	3.5
135.11687	34.5
144.09299	1.4
145.02840	35.7
146.03203	1.4
149.02289	5.2
149.05992	11.2
149.09651	1.6
149.13222	7.1
159.08043	1.6
159.11685	11.9
177.05432	14.6
177.09088	2.9
177.12756	24.1
177.16383	48.5
178.04938	1.4
178.15817	1.3
186.05467	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03933	2.3
55.01850	4.1
55.05503	6.9
56.96290	2.2
56.96560	36.8
57.03431	10.2
57.07058	2.0
58.62973	1.3
59.23204	1.2
67.05489	8.2
69.03419	3.4
69.07066	6.1
71.04967	3.9
71.59936	1.5
78.04708	1.2
79.05485	14.4
81.03408	1.4
81.07050	13.3
83.04964	2.2
83.08630	2.1
88.02224	1.8
89.03915	9.6
91.03894	1.2
91.05474	23.4
91.16496	1.2
92.05781	1.2
93.07032	28.5
94.90035	4.4
95.04959	9.2
95.08587	10.0
97.06507	1.8
98.36308	1.2
98.98455	4.8
103.05449	3.8
105.07020	30.3
106.07397	1.3
107.04932	2.7
107.08586	29.2
109.06522	6.1
109.10106	2.0
115.05445	3.7
116.06223	2.6
116.98584	1.1
117.03328	10.7
117.07015	14.9
118.96767	1.7
119.04303	1.2
119.08569	50.5
119.12229	1.4
121.02794	2.1
121.06461	6.8
121.10130	16.7
123.08053	2.0
126.26255	1.3
126.81908	1.1
128.06175	2.8
129.07002	13.9
130.07762	5.3
131.01888	2.0
131.08554	37.7
132.04340	1.7
132.08061	2.4
132.08945	2.4
133.01723	3.3
133.06541	3.4
133.10109	11.0
134.03648	3.3
134.99638	2.3
135.07152	1.4
135.08054	9.8
135.11679	40.1
135.92592	1.3
141.05652	2.7
142.07765	2.2
143.05472	1.6
143.08540	4.5
144.09325	33.2
145.02802	12.9
145.10040	2.6
146.04828	4.9
147.06474	1.7
147.08040	1.6
149.02332	5.4
149.05943	8.4
149.09621	6.2
149.13249	5.1
152.06723	2.1
153.93703	9.6
154.06471	2.7
155.05386	2.6
155.55602	1.2
157.08630	2.4
157.10139	4.6
159.08057	4.5
159.11674	100.0
160.07523	9.1
160.12041	3.9
161.09631	2.2
163.03934	1.6
163.06975	1.5
163.11209	1.9
166.09143	2.3
171.94762	3.1
174.07915	1.4
175.09557	2.5
177.05455	11.3
177.09061	9.2
177.12737	59.6
177.16348	2.8
177.59894	1.4
178.04895	1.4
178.08598	1.5
178.13164	1.8
190.95351	4.1
195.11644	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	177.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72061	1.6
53.03931	2.8
55.01854	2.3
55.02390	1.4
55.05514	8.9
56.91659	1.5
56.96549	2.4
65.03922	3.4
67.05505	21.3
69.03079	2.0
69.03426	30.1
69.07068	11.2
70.45354	6.1
70.69245	1.7
71.05000	2.1
75.69670	1.4
79.05494	15.8
81.07052	27.3
83.04984	2.4
85.06541	2.3
89.03914	18.3
91.05472	24.0
93.07034	39.7
94.06541	2.4
95.04967	39.5
95.08583	6.9
97.06522	6.6
98.98438	2.9
103.05418	3.2
105.07012	26.6
106.04121	2.0
107.04929	3.9
107.08587	75.7
109.06517	20.1
115.05403	2.4
116.32609	1.7
116.58649	1.4
117.03370	24.7
117.07005	10.7
119.08579	23.4
121.06496	26.5
121.09303	2.9
121.10131	38.8
122.06012	9.1
123.41398	1.6
129.06967	6.3
129.74782	1.7
130.07773	2.7
131.08557	18.7
132.08052	2.5
133.06468	3.3
133.10112	17.6
134.03619	3.4
134.61641	1.5
135.04401	4.6
135.06976	2.1
135.08035	29.9
135.11681	21.9
136.75023	1.6
144.09305	13.5
145.02837	29.8
146.03177	2.2
149.02280	2.1
149.05971	11.2
149.09636	3.6
149.13246	18.7
150.09164	10.7
157.10028	3.9
157.26616	1.5
159.11690	43.5
160.07538	5.1
163.03853	3.4
177.05443	11.7
177.09087	3.2
177.12735	100.0
177.16335	3.3
178.08611	3.0
178.13060	4.0
191.85710	1.5
192.33949	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	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03935	3.7
55.01859	1.6
55.05505	9.4
56.96568	1.2
57.03415	1.5
57.07052	1.0
63.02362	1.4
65.03925	3.4
67.05501	22.4
69.03424	30.5
69.03802	1.5
69.07062	12.5
69.51173	6.5
71.04982	2.9
77.03902	1.2
78.04697	3.9
79.05486	15.3
80.05808	0.9
81.03398	0.9
81.07053	28.9
83.04988	3.9
83.08594	1.6
85.06529	2.3
89.03912	45.9
90.04247	1.5
91.05473	25.4
93.07037	40.0
94.07363	1.2
95.04962	46.3
95.08598	11.0
97.06528	4.6
98.98448	1.3
103.05525	4.0
105.04510	1.8
105.07023	28.5
106.04150	4.9
107.04961	4.6
107.08588	83.3
108.08921	2.0
109.06509	22.6
109.07632	1.2
109.10180	1.3
115.05462	2.0
117.03371	67.0
117.07015	11.5
118.03685	3.1
119.06068	1.4
119.08576	21.7
120.05567	0.8
121.06496	31.3
121.07360	1.8
121.10134	43.3
122.07149	0.8
122.10439	1.4
123.08042	3.5
124.05153	1.4
129.06993	7.4
130.07745	3.3
131.01814	0.9
131.04884	1.4
131.06932	1.0
131.08549	21.0
132.04424	1.3
132.08057	1.5
132.08955	1.4
133.06490	3.5
133.10117	25.6
134.03644	9.5
134.10428	1.1
135.04428	11.1
135.08044	40.5
135.11682	25.7
136.08582	1.3
136.12004	1.1
142.07759	1.3
144.09331	14.2
145.02831	74.0
145.09673	0.8
146.03143	4.1
147.08083	1.5
148.08783	1.2
149.02315	1.5
149.04764	1.6
149.05966	26.9
149.09575	3.0
149.12340	0.8
149.13248	19.2
149.27501	0.9
150.06390	1.2
150.10243	1.0
157.10109	2.7
159.04414	1.2
159.08028	1.9
159.11682	52.7
160.07556	4.5
160.08693	1.2
160.12019	2.5
162.03178	4.4
162.10399	1.4
163.03882	5.4
177.05467	28.4
177.07693	1.2
177.09172	5.9
177.12735	100.0
177.16229	2.4
178.06018	1.5
178.10867	1.2
178.13188	3.9
186.05441	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.50582	2.4
53.03936	3.0
55.01858	9.9
55.05506	19.2
56.96561	22.0
57.03432	28.5
57.07044	3.5
58.04658	2.3
65.03938	4.3
67.05496	22.3
69.03418	7.7
69.07060	16.7
71.04987	5.3
71.60118	3.9
75.70029	2.5
79.05045	4.5
79.05486	51.9
81.03398	5.4
81.07047	39.0
83.04966	11.5
83.08601	5.1
85.06534	7.6
88.02213	5.9
89.03905	25.1
91.05471	55.4
93.07034	55.5
94.89988	16.2
95.04952	17.4
95.08600	23.7
97.06541	5.0
98.98447	18.8
103.05408	4.2
103.47503	3.4
105.07019	34.5
107.04943	10.2
107.08586	54.2
109.06525	14.1
109.10159	2.6
112.91025	2.8
115.05468	7.1
116.06202	4.8
116.97225	4.1
117.03384	36.3
117.04211	4.0
117.07018	39.7
118.96730	5.7
119.04933	3.6
119.08567	24.3
121.02866	3.1
121.06498	38.5
121.10123	27.2
122.07113	3.3
123.08018	2.6
129.06995	14.3
130.07785	14.1
131.04916	3.6
131.08553	100.0
132.04413	7.1
132.08047	7.2
132.08926	3.4
133.06476	5.8
133.10123	17.8
134.03613	6.7
135.04424	7.7
135.08051	29.6
135.11690	9.7
135.92664	4.0
142.06570	3.1
144.09308	9.0
145.02827	46.2
145.03955	3.6
146.03264	2.3
148.08862	2.6
149.02271	14.5
149.05966	20.8
149.09586	6.8
149.13263	13.1
149.79042	2.7
150.06390	2.5
153.93643	30.0
159.04424	3.1
159.08046	6.6
159.10446	3.2
159.11679	44.2
160.07547	34.4
163.03912	3.0
171.94742	9.0
172.95284	3.6
176.95319	3.0
177.05368	28.6
177.08949	13.4
177.10397	4.2
177.12730	83.7
177.16350	10.4
178.04903	4.4
178.08623	6.0
186.05533	2.9
190.95259	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	177.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46062	0.6
55.05506	3.4
56.05023	3.2
56.96558	6.6
57.03421	1.1
57.05551	1.4
57.05814	18.3
58.06594	9.5
59.07373	5.3
60.04505	1.2
61.02916	0.9
66.41821	0.7
67.05508	0.9
69.03421	0.8
69.05816	1.0
70.06586	100.0
71.04984	2.5
71.06915	2.5
71.59090	1.4
71.81460	0.7
72.08150	46.6
73.02911	1.3
73.08472	0.7
76.04003	1.7
81.03417	0.8
82.06570	3.8
84.08138	59.1
85.02900	1.7
85.08919	38.8
86.09698	4.9
87.09232	1.8
88.03982	22.8
97.02324	1.2
97.02910	2.1
98.97573	16.5
99.09226	0.7
100.07629	1.4
101.10776	8.3
101.20682	0.6
102.09174	33.4
102.11550	7.1
106.02844	2.5
110.07210	1.7
112.99161	1.5
116.07114	4.6
116.98605	14.0
119.01812	1.0
123.03146	0.7
126.49911	0.7
127.00724	0.7
127.03307	0.7
128.02365	1.2
128.07086	1.3
130.08627	36.5
131.00189	2.9
131.08957	0.8
133.03412	3.3
134.99657	9.0
135.04980	0.6
136.06174	1.4
147.67436	0.6
148.03891	1.0
148.41736	0.7
149.01178	0.9
153.00719	2.1
156.07751	0.9
159.08521	0.7
160.06213	1.7
160.07559	0.9
170.01424	0.7
177.00752	1.0
177.06619	1.7
177.08954	1.6
177.10960	1.4
177.12366	23.0
178.04927	1.3
179.84523	0.7
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	1,3,8-Naphthalenertriol
Peak:m/z	Relative Intensity
53.03942	0.9
53.20151	0.5
55.01855	0.7
63.02371	1.6
65.03943	0.5
67.05489	0.6
69.03441	0.7
71.18403	1.1
71.32185	0.5
72.08135	0.6
78.04709	4.9
79.05493	2.7
81.07063	1.3
89.03912	100.0
90.04246	2.4
91.05473	11.6
93.07034	3.1
93.74483	0.5
95.04960	2.5
95.08579	0.7
99.05790	0.5
103.05474	3.2
105.03391	1.2
105.07028	2.4
106.04166	6.8
107.04961	1.2
107.08596	2.6
109.06495	0.9
113.65767	0.5
117.03371	58.9
117.07046	0.7
118.03613	1.2
119.04935	1.3
119.08565	1.0
121.06490	3.6
121.10149	2.3
121.19685	0.6
124.05252	0.8
131.04924	1.2
131.08554	2.3
133.10139	0.7
134.03627	28.8
135.04414	48.1
135.08046	1.7
135.11687	1.3
136.04762	1.0
145.02835	34.1
146.03223	1.0
147.04419	1.1
149.05972	67.7
149.13237	0.8
150.06329	2.0
158.05983	0.9
159.11697	2.4
160.07631	1.3
162.03154	4.3
163.03897	56.0
164.04276	2.1
177.05458	80.5
177.09032	1.6
177.12672	2.8
177.16428	0.8
178.05818	2.3
178.12248	0.7
186.05550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.26844	0.5
57.14803	0.6
61.69452	0.4
62.68638	0.4
63.02357	1.1
67.05506	0.6
70.12725	1.5
73.74716	0.5
73.83434	0.5
78.04709	3.6
79.05493	1.5
81.07067	0.6
87.12933	0.5
89.03909	45.0
90.04240	1.4
91.05482	3.5
93.07015	1.3
95.04965	1.8
98.98480	0.7
103.05456	2.0
105.03400	1.0
105.07015	1.2
106.04169	2.9
107.08582	1.2
117.03368	77.8
118.03712	2.4
119.08589	0.6
120.08082	0.7
121.06539	0.9
121.10150	0.9
124.05203	1.6
124.25871	0.5
131.08556	1.5
134.03621	8.4
135.04410	6.1
135.08061	0.8
135.11710	0.7
145.02831	100.0
146.03191	3.2
149.05965	25.5
149.94620	0.7
158.06007	0.6
159.08032	0.6
159.11659	1.4
160.07507	0.9
162.03081	1.8
163.03922	2.2
177.05455	28.0
177.09027	1.3
177.11389	0.5
177.12732	1.6
178.05916	1.2
186.05479	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.15923	0.4
53.03944	1.0
55.05508	0.6
56.53871	0.5
63.02383	1.5
67.05489	0.8
69.03421	0.7
70.85278	0.9
70.85641	1.1
72.08155	0.8
78.04700	3.7
79.05497	2.0
85.04033	0.5
89.03912	55.2
90.04248	1.3
91.05475	5.6
93.07052	2.1
95.04960	2.1
100.13586	0.5
100.21858	0.5
103.05460	2.5
105.03356	0.6
105.04527	0.6
105.07008	1.9
106.04169	3.8
107.08594	1.9
117.03373	86.5
118.03673	2.5
119.04914	0.5
119.08578	0.8
121.06480	1.8
121.10149	1.7
124.05199	1.4
129.07040	0.7
131.04912	1.0
131.06927	0.7
131.08575	1.5
133.10097	0.7
134.03630	11.9
135.04416	10.6
135.08041	1.8
135.11699	1.2
137.09544	0.5
144.09340	0.9
145.02837	100.0
146.03127	3.2
149.05972	31.8
150.06288	1.0
158.06064	0.5
159.11671	2.5
160.07568	1.6
162.03131	2.5
163.03889	4.6
177.05458	28.6
177.09067	1.1
177.12711	2.4
178.05875	0.8
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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.02003	0.4
53.03953	0.8
53.11530	0.5
55.01862	0.8
55.05503	0.9
56.96575	0.8
59.98676	0.4
63.02375	1.9
66.68916	0.4
67.05496	0.8
69.03439	0.7
69.07071	0.8
69.27110	0.4
70.48621	0.9
70.48989	1.0
71.63310	0.4
78.04703	4.0
79.05492	2.0
81.07028	1.0
89.03914	62.3
90.04245	1.7
91.05480	6.8
93.07033	3.8
95.04968	3.3
95.06024	0.4
95.08582	0.7
95.55940	0.5
98.97543	0.6
98.98465	0.9
103.05447	3.1
105.03437	0.6
105.07034	3.7
106.04169	4.8
107.08597	3.8
109.06495	0.4
114.85637	0.4
117.03375	92.9
117.07014	1.6
118.03690	2.2
119.04918	0.7
119.08584	1.5
119.12186	0.5
120.08096	1.5
121.06503	3.8
121.10151	2.5
124.05213	1.6
129.06981	1.2
131.04926	0.7
131.06923	0.5
131.08551	3.1
133.10121	1.8
134.03627	14.2
135.03383	0.7
135.04420	13.0
135.08040	4.3
135.11682	1.7
144.09357	1.7
145.02841	100.0
146.03189	3.5
147.04445	0.6
149.02467	0.7
149.05978	34.9
149.09628	1.6
149.13272	1.1
150.06447	1.1
158.06076	1.0
159.08041	0.7
159.11678	5.3
160.07558	0.9
162.03091	2.4
163.03900	10.0
177.05464	35.1
177.09084	1.8
177.11436	0.7
177.12759	4.4
178.05759	1.1
186.05455	2.2
191.87488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03939	1.0
55.01857	1.9
55.05492	2.5
56.96549	1.9
63.02348	1.3
65.03922	2.0
65.46099	0.9
67.05497	8.1
69.03422	9.9
69.07070	4.9
70.06587	1.0
71.04988	1.0
71.49723	1.2
73.53886	0.9
78.04716	6.5
79.05492	6.8
81.03407	1.1
81.07047	9.3
82.55164	0.8
83.04971	1.5
83.08572	1.1
85.03999	1.0
85.06524	1.5
87.05584	0.9
89.03909	53.6
90.04234	1.4
91.05476	17.8
93.07039	16.4
95.04962	17.0
95.06053	1.1
95.08602	5.4
97.06473	1.1
98.98440	2.1
101.04203	1.4
103.05462	4.5
105.04522	0.9
105.07019	10.5
106.04176	9.2
107.04949	2.1
107.07860	1.4
107.08588	28.7
109.02820	2.1
109.06491	6.9
109.10178	1.0
115.05437	1.5
116.06207	1.3
117.03369	81.1
117.07018	5.3
118.03717	3.3
119.04905	1.2
119.08582	9.7
120.08053	1.3
121.06499	13.5
121.09302	1.9
121.10133	19.3
123.08057	2.1
124.05182	1.2
129.06976	4.5
130.07803	1.2
131.04935	2.0
131.08553	13.1
132.04417	0.9
133.06493	1.2
133.10114	8.3
134.03621	11.4
134.99652	1.4
135.04405	10.3
135.08041	23.9
135.11664	10.9
137.09505	1.3
144.09319	7.2
145.02835	100.0
146.03217	2.6
147.07959	1.1
149.02312	2.2
149.05968	30.2
149.09587	3.3
149.13231	7.3
154.03522	1.2
157.09996	1.4
158.05936	1.0
159.08035	1.2
159.11676	21.5
160.06374	0.9
160.07516	4.8
162.03131	5.6
163.03911	5.8
177.05458	36.8
177.08983	5.4
177.11459	1.4
177.12735	35.9
177.16211	1.1
186.05467	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.75357	0.6
55.01871	0.9
55.05496	1.1
60.76665	0.7
63.02371	1.4
65.03919	1.1
67.05508	1.2
69.07067	1.8
69.43652	6.3
78.04677	3.2
79.05484	4.0
81.07057	1.9
89.03910	49.6
90.04232	0.7
91.05464	6.3
93.07041	4.5
95.04967	1.9
95.08601	2.2
98.98463	2.8
103.05472	1.9
105.03434	1.0
105.07034	1.8
106.04167	3.6
107.04933	1.3
107.08578	5.7
116.06181	0.6
117.03368	80.2
117.06995	1.2
118.03696	1.5
119.04931	0.7
121.02876	1.0
121.06505	1.6
121.10134	5.6
124.05270	1.8
131.04907	1.1
131.08591	3.4
133.06480	1.1
133.10101	0.9
134.03633	9.3
135.04413	7.5
135.08015	1.0
135.11682	1.8
145.02831	100.0
146.03165	3.1
149.02299	4.3
149.05969	27.5
149.09612	0.9
153.93652	1.2
158.06042	3.4
159.08075	1.5
159.11687	1.1
162.03108	1.7
163.03859	2.8
171.01398	2.4
171.94743	0.7
177.03865	1.3
177.05440	26.3
177.09050	3.0
177.12730	4.9
177.16338	2.7
186.05482	9.5
189.84428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.55429	0.4
53.03941	1.0
55.01870	0.6
55.05503	2.7
63.02377	1.0
65.03944	0.6
67.05503	6.1
69.07063	1.9
69.78945	0.4
71.05704	0.7
71.06029	0.7
78.04709	3.3
79.05486	9.3
81.07048	5.6
83.04987	0.5
83.08618	1.3
89.03911	48.7
90.04238	1.2
91.05480	6.7
92.05758	0.6
93.07037	10.1
95.04962	3.3
95.08598	6.1
98.98459	2.3
103.05459	2.0
105.03407	0.6
105.07021	2.1
106.04147	2.7
107.04943	0.8
107.08601	7.0
109.06519	0.7
109.10170	1.6
115.49264	0.5
117.03371	77.7
117.07026	1.3
118.03688	2.7
119.04919	0.7
119.08609	1.3
121.02885	0.7
121.06481	1.1
121.09299	1.1
121.10136	15.2
124.05199	1.7
131.05003	0.6
131.08545	2.2
133.06508	0.8
133.10127	1.7
134.03619	9.8
134.53331	0.5
135.04430	7.3
135.08020	0.8
135.11714	4.2
145.02834	100.0
146.03159	3.3
149.02307	1.5
149.05975	25.8
149.09601	1.0
149.13220	1.3
150.06299	1.2
153.93634	1.1
158.06003	2.8
159.08078	0.8
159.11667	2.3
161.09558	1.0
162.03087	1.5
163.03932	1.4
174.81627	0.6
177.05452	26.0
177.09038	1.8
177.12721	5.1
177.16373	6.7
186.05484	8.7
186.77863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.4
55.05507	8.4
57.07064	1.4
65.03925	0.7
67.05513	2.5
69.03418	0.5
69.07062	26.5
70.06571	0.8
70.07407	0.5
72.01212	0.5
72.52905	0.4
79.05477	3.3
81.07044	7.6
83.08614	5.2
85.10356	0.4
86.98683	0.5
91.05474	12.9
93.07049	3.2
95.04983	1.0
95.08605	5.0
97.02862	0.5
98.12136	0.4
98.98468	2.4
103.05464	1.0
105.07023	30.3
106.07368	0.5
107.08591	6.4
115.05430	0.9
117.07010	4.6
118.07800	0.8
119.08572	100.0
120.08118	0.5
120.08776	2.2
121.10107	3.1
122.47316	0.4
129.06979	1.4
130.06561	1.3
131.08554	5.4
132.09328	1.0
133.10121	83.7
134.10385	2.2
145.10112	8.5
146.10838	1.2
147.04353	0.8
147.08046	0.5
147.11668	13.7
157.10185	1.0
158.10880	0.8
159.11636	1.2
160.05161	1.2
160.12459	4.8
173.13257	3.2
175.07520	1.5
175.11237	2.8
175.14812	99.8
176.15147	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03945	0.9
55.01861	0.6
55.05507	8.6
56.96545	0.8
57.07082	0.6
65.03924	0.7
67.05500	2.8
69.07059	24.9
70.06578	1.0
71.07336	1.5
71.49181	0.5
72.23570	0.6
72.93777	0.9
75.27553	0.5
79.05486	4.7
80.84206	0.6
81.03403	0.7
81.07049	7.5
83.08615	4.8
91.00653	0.6
91.05470	14.4
91.44399	0.5
93.07030	5.0
95.04971	1.7
95.08595	5.3
98.98455	3.5
102.21873	0.5
103.05463	1.7
105.07021	32.3
106.07373	0.9
107.08587	7.2
115.05492	0.9
116.07099	0.6
117.07001	4.0
119.04914	1.2
119.08571	95.8
120.08797	2.7
121.10136	2.7
129.07001	3.5
130.06519	2.4
131.08551	6.2
132.04463	0.6
132.09357	0.9
132.95839	1.6
132.96812	0.6
133.06477	1.2
133.10118	83.3
134.10483	1.6
135.11636	0.8
142.07722	1.8
145.10121	8.8
146.10905	1.1
147.04330	0.6
147.06267	0.7
147.08080	1.5
147.11674	13.0
148.07593	0.7
148.08673	0.8
148.11975	0.8
150.96910	0.8
157.06473	0.6
157.10089	2.9
158.06013	1.0
158.10930	0.7
159.11627	1.0
160.05235	1.2
160.08710	0.8
160.12454	3.1
173.13261	2.5
175.03967	1.1
175.06226	0.6
175.07533	2.5
175.11290	7.9
175.14809	100.0
176.15172	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03918	1.2
55.05507	8.9
57.07072	1.0
67.05499	2.8
69.07062	25.3
69.41526	1.3
69.41947	3.8
79.05477	3.6
81.03438	0.7
81.07056	6.2
83.08624	4.4
85.79851	0.5
91.05472	13.9
91.29424	0.6
93.07024	3.9
95.04935	0.6
95.08593	4.8
97.61591	0.5
98.98450	1.5
103.05511	0.8
104.06255	0.9
105.07020	28.2
107.08572	6.0
115.05463	1.3
117.07008	3.7
119.08569	100.0
120.08920	2.4
121.10143	2.6
129.06992	1.7
130.06607	0.7
131.08560	5.7
132.05670	0.6
133.10117	82.4
134.10448	3.3
135.11668	1.2
142.07768	1.4
145.10097	9.5
146.10896	1.6
147.08119	0.6
147.10518	0.6
147.11678	11.6
157.10086	1.8
159.11653	1.3
160.05161	1.4
160.12476	3.8
173.13251	2.6
174.13577	0.6
175.07545	2.3
175.11415	4.4
175.14809	96.2
176.15125	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	175.119
Annotation	L-Arginine
Peak:m/z	Relative Intensity
55.01865	1.3
55.05513	0.8
56.96284	0.8
56.96564	12.9
57.03431	2.5
58.06599	6.2
60.05645	33.4
61.02920	0.9
67.05508	0.5
69.03425	2.7
70.06590	100.0
70.41183	1.2
70.41578	0.9
71.04990	10.8
71.06929	1.0
72.08153	13.3
72.96044	0.6
73.02908	2.6
77.00880	0.7
83.04980	0.8
84.08134	3.0
85.02895	1.7
88.07635	1.5
90.66904	0.5
97.02310	1.8
97.02899	1.9
97.07644	1.0
98.06058	1.1
98.97581	3.8
98.98451	1.0
99.04449	1.1
101.00873	2.3
102.02391	0.8
103.00671	1.0
103.02442	2.0
106.02837	2.1
107.04470	0.6
110.02109	0.6
111.02938	1.4
112.07604	5.0
112.08730	3.5
112.99129	6.1
114.09161	0.6
114.10332	1.0
115.02453	1.4
115.03329	1.5
115.08684	1.6
116.07088	24.3
116.98623	2.4
117.05481	1.1
118.08676	0.7
119.01919	12.3
120.02017	1.3
121.01641	1.9
121.03481	2.1
126.02663	0.6
128.98558	0.7
129.03967	0.7
130.08676	1.5
130.09753	18.7
131.00163	12.6
131.01883	1.8
131.44641	0.5
132.02086	5.4
132.04379	0.6
132.95834	1.0
133.01602	1.0
133.03455	5.9
134.08107	0.8
134.99670	1.3
137.02946	5.0
139.03955	0.6
143.01892	0.7
145.01688	1.2
145.03407	2.5
149.01210	12.3
150.96846	1.0
151.04539	2.9
157.03479	0.8
157.10799	0.9
158.09251	5.2
158.11766	1.2
159.05020	0.8
159.57465	0.6
161.02974	1.5
163.02710	1.1
163.04428	0.8
167.02257	1.8
171.01500	1.4
175.03038	0.9
175.04529	5.0
175.10419	0.9
175.11908	17.4
176.01103	1.0
176.10336	7.0
179.04039	0.8
185.03055	0.7
187.00861	0.5
193.00261	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05507	4.8
58.71271	0.7
65.28874	0.7
67.05479	2.3
69.03424	0.8
69.07065	10.9
70.47325	3.0
70.85035	0.7
74.89555	0.7
79.05488	1.7
81.07054	5.6
83.08607	2.2
91.05476	10.3
93.07029	3.3
95.04942	0.7
95.08614	4.0
98.98444	2.8
105.07027	26.7
107.08587	5.7
117.06994	4.5
119.08577	68.6
120.08871	1.5
121.10122	2.8
129.06979	1.7
130.06519	1.8
131.08537	5.6
133.10126	69.5
134.10478	2.6
142.07803	2.2
144.09296	1.6
145.10118	15.0
146.06012	1.6
146.10886	1.1
147.11690	30.2
148.12062	1.4
157.07466	0.8
157.10085	2.0
158.06039	1.3
159.11656	6.1
160.08943	1.0
160.12468	8.2
161.13202	2.0
173.13225	1.8
175.05974	0.8
175.07440	1.5
175.11255	3.3
175.14816	100.0
176.15135	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.01577	0.7
53.03936	2.4
55.01873	7.7
55.05510	4.4
56.94276	0.7
56.96539	0.9
57.03429	3.8
63.78210	0.6
64.66350	0.6
65.03937	1.3
67.05164	1.0
67.05495	12.1
69.03432	0.8
69.07072	6.1
70.06573	2.2
71.60006	0.7
72.93785	1.4
79.05488	21.3
81.02975	1.0
81.03415	13.9
81.07048	16.2
82.06590	0.7
83.04974	0.9
83.08607	1.0
90.94795	0.8
91.05473	51.3
92.90079	1.9
93.07038	11.1
95.04960	14.3
95.08573	2.3
97.02889	0.8
97.06488	1.1
98.98452	7.5
103.05472	3.6
104.06277	0.8
105.07021	43.1
107.04942	12.5
107.06038	0.9
107.08589	5.0
108.06780	0.7
109.06485	2.8
113.45827	0.8
115.05439	10.2
116.06223	2.5
116.97201	1.1
117.07001	8.7
119.04925	3.7
119.08573	44.2
120.08926	1.3
121.06500	4.8
124.47648	0.6
128.06223	6.5
129.06992	41.9
130.06528	3.7
130.07341	0.9
131.08562	21.5
132.04462	0.8
132.05692	3.3
132.95793	2.1
132.96869	0.6
133.06491	16.4
133.10123	22.7
134.07204	2.4
135.07971	0.8
141.06956	2.0
142.07761	15.0
142.31458	0.7
145.06459	2.5
145.10095	4.0
146.07240	1.3
147.04391	3.1
147.08046	11.2
147.11664	20.9
148.08633	1.2
148.21002	0.7
150.96843	1.9
150.97993	0.9
151.93765	1.9
151.97084	0.9
155.08527	1.0
157.10117	39.6
158.05966	1.4
158.10463	1.2
160.05161	5.2
160.08807	1.8
175.03864	2.4
175.07613	11.4
175.11165	100.0
175.14763	15.9
176.11540	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03947	0.8
53.12118	0.8
55.01863	0.9
55.05488	2.9
56.96561	4.8
57.03435	100.0
58.03770	0.7
67.05487	2.3
68.03802	0.8
69.03416	1.2
69.07043	3.1
69.85617	5.1
70.06569	2.2
73.06579	0.8
74.32353	0.8
74.93170	0.9
79.05473	2.5
81.07028	2.7
85.40762	0.7
91.04894	0.9
91.05473	15.5
92.90015	30.1
93.07024	2.1
95.04921	0.9
95.08606	1.7
97.02878	1.6
98.98462	17.1
103.05449	0.9
105.07029	14.1
107.08561	1.9
110.91129	2.8
115.05441	1.3
116.97214	4.1
117.06995	5.2
118.06498	1.4
119.08572	61.4
120.08905	1.4
121.06497	0.9
128.06200	0.9
128.92186	1.5
129.07004	4.2
130.06519	4.6
131.08633	1.5
132.04453	2.0
133.06464	2.8
133.10126	10.9
133.92653	5.2
142.07751	4.5
145.06474	1.3
145.10086	1.0
146.05977	3.7
146.07248	2.4
147.04390	1.3
147.06346	1.9
147.08041	4.2
147.11690	5.3
148.07552	0.9
150.96812	1.0
151.93788	40.4
153.24002	1.0
157.06473	0.8
157.07634	1.0
157.10196	4.7
158.05959	3.1
160.08788	2.7
169.94907	9.1
174.95404	6.9
175.07513	3.7
175.08675	2.9
175.11160	38.5
175.14775	10.2
176.07059	1.6
192.96489	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	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03958	1.0
54.13517	0.5
55.01870	2.0
55.05497	3.0
56.96569	1.0
57.03433	24.6
65.03940	1.9
67.05498	14.0
69.03412	2.0
69.07066	1.8
69.87099	3.2
70.06589	1.0
79.05488	7.7
81.03398	1.1
81.07058	2.7
90.94801	0.6
91.05472	20.6
92.90039	9.5
93.07048	3.2
95.04956	13.7
95.08598	1.0
98.20735	1.0
98.98451	5.3
103.05473	1.4
105.07024	28.3
106.07340	0.8
107.04940	9.2
107.08584	2.0
110.91147	0.7
115.05437	2.6
116.06239	1.0
116.97208	1.1
117.07017	6.1
118.07763	1.3
119.04916	1.6
119.08570	55.8
120.08895	1.0
121.06495	5.4
122.19794	0.6
127.10036	0.5
128.06210	3.4
129.06992	9.8
130.06499	0.7
130.07439	0.6
131.04924	4.2
131.08565	4.7
132.05690	2.8
133.06483	30.2
133.10120	10.5
133.92763	1.6
134.06938	0.8
135.08031	3.0
141.06955	1.6
142.07764	9.8
145.06471	13.1
145.10112	2.9
146.07253	34.9
147.08035	74.9
147.11670	14.8
148.08388	1.5
151.93768	8.9
155.08565	0.6
157.07599	1.9
157.08913	0.8
157.10118	11.2
159.08038	1.1
160.08813	9.5
169.94948	1.7
175.07549	2.2
175.11169	100.0
175.14510	4.2
176.11491	2.6
192.57281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73010	1.0
56.96560	7.7
58.06591	1.9
60.05647	37.8
60.05953	1.9
70.06590	100.0
70.54740	3.7
71.04977	3.2
72.08154	18.5
75.54128	0.9
84.08129	3.5
85.02878	1.0
86.09672	0.9
96.59062	0.9
97.02325	1.0
98.06065	1.4
98.20817	1.0
98.97556	2.6
103.02374	1.2
106.02847	1.0
112.07608	2.0
112.08698	3.5
112.99145	4.8
115.03356	1.3
115.08701	1.9
116.07087	28.0
116.98620	1.1
119.01899	4.0
121.01663	1.0
130.08751	1.9
130.09761	13.9
131.00159	13.6
132.02005	1.9
133.03468	3.9
137.02837	0.8
141.06540	1.0
149.01244	10.9
151.04503	1.9
152.71736	1.1
158.08223	0.8
158.09262	7.1
158.11768	1.3
163.02702	0.9
167.02187	1.3
167.15208	0.9
175.04453	1.8
175.11899	21.9
175.14352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03918	1.1
55.01844	1.6
55.03479	1.3
55.05497	5.0
56.96549	4.0
57.03433	88.9
62.17140	1.3
67.05486	3.7
69.03395	2.9
69.07050	4.8
70.06570	3.8
71.60392	1.8
72.93765	3.4
77.64127	1.1
79.05489	6.5
81.03398	2.6
81.07047	6.9
85.02904	2.0
87.04493	2.2
91.05470	31.4
92.61065	1.2
92.90040	21.3
93.07048	6.5
95.04957	4.0
95.08602	3.9
97.02919	2.0
98.98461	31.2
103.05423	1.4
105.07023	27.1
107.04930	3.8
107.08564	4.3
110.91151	2.5
111.04419	1.8
115.05446	6.6
116.97213	4.1
116.99471	2.3
117.07004	9.5
119.04969	1.5
119.08575	100.0
120.08964	1.3
121.06472	2.6
128.06180	2.5
129.07001	12.1
130.06537	2.5
131.04913	1.9
131.08554	8.9
132.05745	2.2
132.96870	1.7
133.06497	6.1
133.10118	30.9
133.92740	3.1
142.07750	7.0
144.05679	1.4
145.06470	3.2
145.10101	4.2
146.07211	4.1
147.04378	4.0
147.08044	15.8
147.11707	13.2
150.03409	1.3
150.96860	3.0
150.97984	2.0
151.93767	29.0
151.97127	1.7
152.94072	1.4
157.06439	2.1
157.10071	10.8
160.05190	7.8
160.08795	4.3
169.94810	7.5
174.95416	3.4
175.03810	2.8
175.07468	19.5
175.11166	68.9
175.14803	26.6
176.07056	2.1
176.11554	2.0
190.60139	1.7
192.96545	1.3
194.41550	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	174.1125
Annotation	Hyacinthacine A1
Peak:m/z	Relative Intensity
53.03935	1.2
55.01873	1.4
55.05505	5.1
56.05029	6.6
56.96561	23.7
57.03432	3.1
57.04565	0.5
58.02956	1.4
58.06597	8.1
59.04993	0.8
60.04520	100.0
60.05642	4.5
60.64471	0.5
61.00633	0.4
61.02926	1.4
61.04844	1.0
65.03948	0.7
67.05502	8.0
68.05025	2.5
68.05834	0.7
69.03426	5.8
69.07070	1.7
70.02959	1.3
70.06586	16.2
70.42637	1.6
70.42992	1.1
70.95851	3.7
70.98125	1.0
71.01344	0.5
71.04989	3.2
71.06115	5.7
72.04511	1.5
72.07330	0.6
72.08151	9.5
72.93786	3.7
72.96050	0.8
73.02913	2.1
74.02438	0.6
74.06083	1.3
74.97614	1.6
75.04465	0.6
77.00871	0.6
79.05487	4.7
80.05028	1.5
81.03406	1.1
81.07056	6.3
82.06570	7.8
83.04977	3.5
83.08630	1.3
83.97634	1.5
84.01576	0.6
84.04501	1.9
84.08134	14.4
84.96028	1.1
85.02888	3.8
85.06554	2.1
85.08485	1.2
86.00654	2.0
86.06056	7.1
86.09698	4.3
87.04463	14.8
88.07631	1.1
88.08758	0.8
88.96928	0.8
88.99152	0.6
90.01570	0.8
90.94829	1.6
91.02353	1.6
91.05502	2.4
93.07029	6.4
94.06563	3.5
95.04951	5.9
95.08630	1.5
96.04487	0.7
96.08145	2.4
97.02891	4.2
97.06532	2.3
98.06068	1.6
98.09676	3.4
98.97583	8.7
98.98228	0.7
98.98476	0.5
99.04449	1.0
99.08100	1.0
100.02892	0.8
100.07623	2.3
100.99156	1.3
101.00883	0.7
102.03762	1.3
102.05556	1.1
103.02376	0.8
103.05468	1.2
104.07085	2.8
105.02161	0.5
106.02876	0.6
108.08150	1.8
109.02905	0.7
109.06533	1.4
110.01305	0.5
110.03145	0.5
110.06054	1.3
110.07200	0.6
110.09681	10.2
110.97609	1.0
111.08095	1.6
111.53670	0.8
111.97826	0.6
111.98441	2.8
112.02830	0.6
112.07619	3.5
112.99153	1.1
113.98640	3.9
114.05521	3.8
114.09187	2.7
115.03917	0.6
115.97900	0.6
116.07063	3.0
116.98619	5.0
117.02113	0.7
118.08703	0.5
119.00199	0.7
119.01879	5.3
120.02036	1.0
120.08097	2.7
121.01727	0.8
121.06531	1.6
123.51797	0.5
124.02882	0.6
125.03624	0.9
126.09193	1.7
127.03960	0.7
128.02310	1.4
128.05296	6.8
128.07115	1.1
128.10710	11.9
128.98607	1.3
129.10225	2.6
129.99535	1.8
130.08658	2.7
130.09775	1.5
131.00137	3.3
131.01859	0.7
131.97423	2.8
131.99687	7.4
132.05083	0.7
132.06526	0.7
132.95824	6.3
133.01758	0.6
133.03424	3.2
134.03603	0.5
134.99664	3.7
135.03217	0.8
135.06859	0.6
137.02963	1.3
138.03334	0.7
138.09137	7.2
139.07596	1.4
142.96550	1.1
143.00195	0.6
144.10272	0.6
145.01808	1.4
145.03453	1.4
146.08203	0.7
146.99687	1.0
147.11256	0.8
149.01241	2.6
149.97418	0.6
149.98521	1.9
150.00723	4.6
150.96869	15.0
150.98961	0.6
151.04515	1.2
153.00760	1.0
155.97469	2.5
156.10190	36.3
156.13806	3.6
157.10709	1.0
158.99796	0.6
160.97641	1.3
161.01256	0.8
161.03026	0.8
163.02832	5.4
163.04459	3.6
168.97978	0.8
173.98441	3.3
174.04077	0.7
174.05980	4.2
174.07573	1.2
174.11273	18.8
174.12489	18.2
174.14740	6.3
175.02757	1.1
175.04572	2.0
175.11801	2.9
177.00723	0.6
181.03806	2.7
189.03638	0.8
193.00240	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	173.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01870	0.8
55.05507	26.2
55.93528	1.9
56.19433	0.6
56.96558	2.6
57.03445	3.4
57.07058	0.9
59.05006	3.8
67.05499	5.6
69.03439	1.3
69.49239	4.8
70.95871	1.1
72.93783	23.6
75.61843	0.7
79.05486	2.2
81.03439	1.0
81.07046	3.0
83.04977	24.3
86.06081	0.7
87.04453	2.0
89.02367	1.4
89.94021	0.8
90.90377	100.0
90.94817	17.7
91.05471	8.6
91.90387	2.7
93.07011	0.8
96.04469	0.9
97.02892	0.9
98.20795	1.6
99.04431	1.2
101.06010	19.2
103.03293	0.8
105.07027	9.1
108.91409	10.1
108.95175	1.3
108.95855	10.6
109.10129	1.3
111.04436	16.8
111.98457	1.2
112.48040	2.2
113.05978	3.0
113.96384	4.4
114.05523	1.3
115.05430	2.1
116.06219	1.9
117.07008	6.3
118.06568	3.5
119.08588	9.7
125.96101	1.9
126.92471	4.6
127.07562	4.0
128.06183	1.2
128.07051	1.1
129.05486	16.9
129.06975	6.3
130.06560	0.7
130.07758	3.7
131.08560	55.8
131.92990	15.1
131.97394	5.0
132.08015	1.3
132.08911	1.5
132.95836	1.7
133.10100	2.2
142.07780	1.0
143.08551	16.0
143.46904	0.9
144.08054	3.4
144.09332	6.8
145.06467	1.1
145.10114	22.8
146.05978	4.4
146.08069	1.1
147.06482	1.1
148.95561	0.9
149.94038	96.6
149.96062	6.4
149.97215	1.7
149.98454	1.4
150.94101	2.7
150.96877	7.6
155.07018	17.8
155.97368	1.4
156.09386	1.5
157.10078	0.9
158.07275	1.7
158.10899	27.5
159.11308	1.1
163.95683	1.0
167.95076	17.6
167.97147	8.7
171.11658	2.1
172.95639	12.7
172.97717	1.7
173.05858	0.8
173.08081	23.1
173.09636	5.5
173.13248	74.2
173.98512	1.8
174.05466	4.4
174.07553	1.1
174.12605	1.5
175.35823	0.8
186.51842	0.7
190.96754	1.7
190.98720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.20285	1.0
53.03928	2.4
55.01877	1.5
55.05509	46.8
55.93500	3.1
56.05019	1.1
56.96572	5.9
57.03419	3.7
57.46979	1.0
59.05000	8.6
59.06112	1.6
60.04493	1.2
65.03926	2.3
67.05505	14.5
69.03423	2.2
69.07058	3.0
70.06570	4.3
70.95859	13.3
71.04973	3.6
71.59321	1.4
71.93004	1.0
72.04498	1.6
72.08127	3.9
72.93786	74.9
73.02911	1.6
79.05482	7.8
79.84411	1.0
81.07059	11.6
83.04977	47.3
84.08167	2.2
85.02877	1.1
85.06524	4.1
86.09714	2.4
87.04469	5.0
88.96892	3.5
89.02389	3.1
89.94036	2.6
90.90381	12.4
90.94820	54.4
91.05474	32.8
93.07030	3.9
95.04958	3.7
95.08604	8.4
96.04485	1.7
97.02911	1.6
98.97553	2.2
98.98468	1.7
99.04415	2.5
101.06013	31.9
103.05444	3.3
105.07022	28.3
107.08578	6.1
107.95030	1.7
108.95859	23.1
109.10152	1.4
110.06041	1.1
111.04438	38.9
111.05202	2.3
111.98463	10.1
113.05978	5.3
113.07139	1.3
113.96382	8.8
115.05441	6.8
116.06225	6.2
116.98676	2.7
117.07007	18.4
118.06560	2.4
119.01866	1.1
119.08578	20.5
125.96069	2.9
127.07546	6.9
128.06215	6.2
129.04604	1.9
129.05499	22.9
129.06990	27.5
129.99541	6.6
130.07816	8.5
131.00198	1.3
131.08560	86.7
131.92993	2.2
131.96104	2.4
131.97427	10.7
132.06544	1.1
132.08934	1.2
132.95830	23.1
133.10127	5.2
134.99646	1.3
137.06007	1.1
142.07770	1.8
143.08548	53.7
144.09343	15.1
145.06476	4.5
145.07559	1.7
145.10110	40.1
146.06029	4.8
146.08102	1.3
146.10483	1.7
149.01292	1.7
149.94110	9.3
149.96098	18.0
149.97191	5.2
149.98480	5.5
150.96883	55.2
155.07036	32.6
155.08427	2.5
155.97403	6.5
156.09319	2.3
156.11250	1.2
157.10179	2.4
158.07265	1.7
158.10901	46.8
159.11157	1.4
167.95039	2.3
167.97131	24.0
168.97858	3.5
171.11624	2.2
172.97690	1.4
173.00223	1.1
173.05913	1.8
173.08159	44.1
173.09633	7.8
173.13249	100.0
173.98474	12.3
174.05530	3.7
174.07532	1.1
174.13675	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	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.74213	0.4
55.05506	11.3
55.93512	0.8
56.21917	0.4
56.83244	0.5
56.96556	1.3
57.03432	1.4
57.07037	0.5
59.04991	1.7
65.03918	0.7
67.05490	3.0
70.70195	1.5
70.95858	1.2
72.93380	0.9
72.93782	13.0
79.05495	1.7
81.07049	2.1
83.04475	0.6
83.04976	11.6
87.04441	0.8
89.02379	0.6
90.90372	52.4
90.94822	9.2
91.05470	12.5
91.90408	1.1
93.07023	0.5
99.04440	0.8
101.06011	7.8
103.05450	1.0
105.07018	11.2
107.95068	0.5
108.91404	4.8
108.95831	3.4
111.04430	10.1
111.98466	0.7
112.48045	0.6
113.05985	0.9
113.96397	2.7
115.05447	2.0
116.06240	3.5
117.07011	8.5
117.07822	0.6
118.06539	0.9
119.08571	13.7
126.92440	1.6
127.07559	2.1
128.06158	2.5
129.05484	7.0
129.06993	11.3
129.99492	0.6
130.07785	3.9
131.08554	81.7
131.92972	9.1
131.97421	1.9
132.08891	2.2
132.95813	1.7
133.09241	0.5
133.10110	3.1
141.06909	0.7
142.07745	1.3
143.08545	25.3
144.08072	1.5
144.09319	8.1
145.06422	0.7
145.10107	26.0
146.05981	1.3
146.10475	0.5
148.47171	0.7
149.94032	52.6
149.96059	3.0
150.94218	1.3
150.96884	4.3
155.07034	7.6
155.08360	1.0
155.97441	0.6
156.09346	1.5
157.10170	1.7
158.07271	2.2
158.10896	39.0
159.11545	1.9
167.93655	0.5
167.95088	9.7
167.97145	4.1
171.11685	2.5
172.95634	4.9
173.08083	9.3
173.09619	5.7
173.13243	100.0
173.98457	1.6
174.05489	1.0
174.13692	2.5
174.64104	0.5
190.96767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03952	1.1
55.05507	17.2
57.03428	1.3
57.07069	1.8
59.05006	2.9
65.03940	0.9
67.05499	3.2
69.03410	0.8
69.07039	0.7
70.78793	1.8
70.95869	0.8
72.93786	8.9
79.05486	4.1
81.07058	3.1
83.04975	17.2
85.02893	0.7
87.04460	2.1
89.02401	1.1
90.90376	12.0
90.94823	6.8
91.05470	16.6
91.06004	1.2
93.07020	2.0
95.04967	1.2
95.08606	0.8
99.04483	0.8
99.82383	0.6
101.06008	12.2
103.05465	0.6
105.07020	12.6
107.08592	1.2
108.95847	2.9
111.04430	14.5
111.15927	0.7
113.05998	2.0
113.96428	2.3
114.05563	1.2
115.05427	2.8
116.06205	2.8
117.07010	13.8
118.06522	0.8
119.08571	12.8
127.07539	2.9
128.06189	2.8
129.04607	0.9
129.05498	10.5
129.06972	14.3
130.07774	3.8
130.75453	0.5
131.08557	100.0
131.92973	1.7
131.97420	1.7
132.08926	2.5
132.95821	0.6
133.10112	2.3
137.06003	0.6
142.07794	0.9
143.08549	21.4
144.09348	7.6
145.06454	1.7
145.07593	0.9
145.10112	33.7
146.05960	0.6
146.08130	0.7
146.10425	1.1
146.19473	0.6
149.94035	10.9
149.96078	1.9
149.98451	0.8
150.96898	2.3
155.07031	12.5
155.08304	0.7
156.09247	1.0
157.10097	1.3
158.07237	1.9
158.10896	27.9
167.95079	2.1
167.97159	2.4
171.11693	2.2
172.95619	1.7
173.08096	15.5
173.09642	5.1
173.13248	99.0
174.07538	1.2
174.13736	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	172.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
54.90215	0.5
55.01860	0.8
55.05507	17.2
55.93535	1.3
56.05018	3.2
56.33725	0.5
56.96558	4.1
57.03428	1.3
57.07064	1.0
58.06592	2.7
58.26305	0.6
58.99577	0.8
59.04990	2.6
59.06102	0.9
60.04533	2.8
65.03910	0.7
67.05495	7.3
67.69664	0.5
68.05047	0.8
68.96338	1.3
69.03424	2.0
69.07063	100.0
69.63055	4.4
70.02927	2.8
70.06583	3.5
70.07391	2.2
70.94260	1.3
71.04984	1.8
71.06100	0.7
71.93011	2.0
72.04527	1.6
72.08140	2.4
72.93782	29.1
73.02903	0.6
74.06066	1.6
79.05470	1.1
81.03416	1.0
81.07053	4.5
82.06573	1.2
83.04474	0.9
83.04972	15.7
83.06093	1.0
83.08604	2.2
83.14863	0.6
84.04505	2.0
84.08138	12.8
85.02892	0.8
85.04045	0.9
85.06547	2.2
86.06061	1.7
86.09699	55.1
87.00829	6.5
87.04454	1.7
87.05600	2.1
87.10020	1.6
88.07616	1.1
89.02377	1.5
89.07148	1.0
89.90683	0.7
89.94043	1.4
90.90373	4.8
90.94820	23.2
91.05485	1.7
93.05786	0.9
93.07057	1.1
94.06559	0.8
95.04983	1.0
95.06078	0.9
95.08612	3.2
95.41262	0.6
96.04485	0.9
97.06554	0.7
98.02407	2.6
98.06062	1.0
98.09709	0.9
98.20762	0.6
98.97570	2.7
99.04470	0.8
99.05595	0.6
100.07629	0.8
101.06009	10.7
101.07136	1.6
104.03458	66.5
105.07004	0.9
107.95082	1.4
108.08114	0.7
108.95844	12.5
108.96561	0.8
109.06510	1.6
109.10147	1.9
109.98889	0.8
110.06031	1.2
110.09661	1.4
111.04433	12.3
111.09195	1.4
112.03939	2.1
112.05090	1.7
112.07597	22.2
112.11251	0.7
113.05974	1.9
113.07136	1.2
113.96436	3.7
114.05554	0.8
114.06654	0.9
115.05498	1.0
116.03449	13.1
116.07095	0.7
116.98613	3.6
117.06969	1.2
125.96107	2.4
126.03725	1.4
126.05506	1.0
126.09184	3.3
127.07542	2.4
127.08619	0.8
127.99964	0.7
128.10719	2.6
129.05473	9.6
129.07013	1.2
130.96297	1.5
131.00183	0.9
131.08566	4.7
131.92963	0.9
131.97418	4.5
134.99663	3.5
136.07547	0.6
137.05965	1.5
143.07355	0.7
143.08539	1.9
144.08070	1.0
144.10207	3.6
145.06514	1.3
145.07565	1.0
145.10098	2.5
147.98944	0.7
148.97418	5.9
149.01212	1.1
149.94051	5.6
149.96094	7.1
149.97160	2.1
149.98335	0.6
153.00729	1.0
153.97850	1.2
154.06136	0.6
154.08621	12.9
154.09798	1.2
155.07019	11.1
158.10893	2.8
167.95099	1.1
167.97130	13.8
171.99025	1.4
172.05075	1.1
172.07475	2.4
172.09676	29.5
172.10957	1.9
172.13202	1.1
172.16873	0.8
173.05916	1.0
173.08145	14.4
173.09752	2.3
173.13223	5.7
177.00723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.00265	0.8
53.03942	1.7
55.01867	11.3
55.05507	24.5
55.93518	0.8
56.05035	1.5
56.96565	4.4
57.03432	60.8
57.07059	3.2
58.06591	0.9
59.04999	2.4
59.06115	2.1
65.03921	1.2
65.54426	0.7
67.05499	61.4
68.05037	1.1
68.99795	1.3
69.03423	2.1
69.04520	0.8
69.07061	44.8
70.06585	7.3
70.94253	5.7
70.99310	1.6
71.04985	8.9
71.06083	1.0
71.06921	2.9
72.04509	16.1
72.08147	6.3
72.93775	8.5
73.06531	2.2
73.86448	0.8
79.05493	5.5
81.03432	1.3
81.07053	21.8
82.06564	1.4
83.01307	0.8
83.04970	7.1
83.06093	1.8
83.08614	29.8
84.04504	1.5
84.08144	2.1
85.02897	3.4
85.04010	0.9
85.06548	3.9
85.07662	1.1
86.06104	1.0
86.09679	3.0
88.90857	1.5
88.95286	4.0
89.07141	12.7
89.96417	1.1
90.94812	2.5
91.05467	2.3
93.05770	0.9
93.07035	7.1
95.04961	1.9
95.08607	3.9
97.02898	0.8
97.06524	11.0
97.10165	1.1
98.06030	1.1
99.04422	1.0
99.08034	0.8
100.07626	1.6
100.08715	1.2
101.06009	1.7
105.07027	1.2
106.96319	2.4
107.08585	7.4
108.95866	1.4
109.06535	1.3
109.10146	100.0
110.06100	0.9
110.07144	1.1
110.10497	1.9
111.04427	3.5
111.05526	0.9
111.08084	9.3
111.09194	4.7
112.07610	1.2
113.07135	0.9
113.96358	1.3
115.05441	2.7
115.07577	0.9
116.04951	1.3
116.98637	1.3
117.06989	0.8
123.11689	0.9
125.05968	1.2
125.09633	2.0
125.96075	1.0
126.01042	1.8
126.05526	1.4
127.11176	26.5
128.06218	5.8
129.07018	2.3
129.97911	0.9
130.96342	1.7
134.99622	1.7
135.11662	2.9
139.03873	1.6
141.06992	2.6
141.12700	1.1
142.07721	1.9
143.06076	1.2
143.08513	7.7
144.08080	1.8
146.99632	1.1
147.96877	9.3
147.98819	1.0
148.97484	5.1
153.09000	1.6
153.11549	1.1
153.12701	5.8
153.97876	0.8
154.08644	4.4
154.09679	0.8
156.09340	12.3
165.93723	0.8
165.97945	9.9
168.50014	1.0
170.98453	1.5
171.02867	0.8
171.05510	7.4
171.07950	2.2
171.09193	8.3
171.11479	8.0
171.13680	1.3
171.14912	8.4
172.04034	1.1
172.07481	1.4
172.09663	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	171.1128
Annotation	BDNA
Peak:m/z	Relative Intensity
53.03938	0.4
54.03465	0.4
55.01868	4.3
55.05505	5.1
56.05029	2.9
56.96560	21.1
57.03433	1.4
57.04551	0.4
58.06596	3.4
59.04987	0.7
59.06129	0.8
60.04524	0.9
61.01141	0.4
67.05492	1.8
68.05033	2.8
68.99782	1.0
69.03435	0.8
69.07061	2.1
70.06588	50.4
70.39899	0.9
70.40295	0.5
70.42950	0.4
70.94260	1.5
70.98106	0.3
71.01365	0.6
71.05013	0.5
71.06927	0.8
71.92989	0.4
71.95266	1.1
72.04506	4.4
72.08151	22.4
72.93790	3.9
73.02916	0.6
73.38274	0.4
74.02447	0.5
74.06069	1.1
74.97607	0.6
79.05489	2.4
80.05032	0.7
80.05864	0.4
81.03413	0.7
81.07055	6.8
82.00822	0.4
82.06572	5.3
82.07355	0.5
83.04972	1.6
83.06101	5.4
83.08611	2.3
83.09042	0.5
84.04496	2.2
84.08138	11.3
84.96028	0.6
85.02909	1.0
85.07659	0.6
86.06078	0.9
86.09706	3.2
87.04468	1.1
88.07631	0.4
88.95269	0.9
89.07139	2.9
89.96411	1.0
90.94816	1.5
91.05476	1.7
93.05782	0.5
94.06583	0.5
95.04936	0.8
95.06068	0.8
96.04507	0.4
96.08125	11.3
97.02306	0.5
97.02843	0.7
97.06493	0.8
97.07647	0.7
98.06048	1.1
98.09685	12.4
98.97575	4.3
99.94870	0.6
100.03999	0.6
100.07599	1.6
101.00860	0.6
101.02541	0.4
102.05553	0.4
106.01061	0.4
107.04945	0.6
107.08605	0.4
108.08112	12.8
109.98971	0.5
110.02364	0.6
110.06020	0.5
110.07163	3.4
110.09689	0.4
110.97557	0.8
111.00823	0.7
111.04431	1.0
111.09196	0.9
112.03902	0.5
112.07599	16.4
112.08746	0.8
113.07135	0.7
113.10709	0.4
113.96394	0.7
115.03949	0.6
116.98611	7.5
118.03440	0.4
119.01910	3.1
121.01646	0.5
125.02456	0.4
125.10744	100.0
125.51581	0.4
126.01014	0.6
126.05526	0.5
126.09165	3.0
126.10085	0.5
126.11115	2.2
127.00684	1.0
127.01608	0.7
127.03862	0.4
128.98618	2.9
129.10234	2.1
129.95851	0.5
129.97993	0.4
130.08611	0.6
130.96318	0.7
131.00185	1.0
131.01907	0.5
131.97447	0.8
133.03481	0.7
134.99651	7.5
135.06354	3.5
136.06194	1.9
137.02904	1.1
137.05878	0.8
137.57480	0.3
137.98077	0.3
138.54141	0.4
139.00237	4.0
139.02679	0.6
139.03943	0.5
143.05991	0.5
143.11771	1.6
144.08034	0.5
144.10204	0.7
145.01736	2.3
146.99654	3.9
147.05084	0.4
147.54700	0.6
147.96909	5.8
148.97356	2.2
149.01201	1.1
153.00661	1.7
153.05511	0.4
153.07434	6.9
153.10143	0.5
154.08641	1.3
155.11824	0.6
156.07700	0.6
157.01315	7.5
160.97598	0.8
161.01189	1.1
161.06088	0.4
163.02809	0.8
165.00719	1.1
165.97971	4.9
166.00192	0.9
170.99663	1.0
171.02931	0.9
171.05458	1.5
171.09270	2.3
171.11275	28.7
171.14856	2.1
171.98938	0.6
172.09648	1.5
172.11674	0.5
189.00717	4.9
189.04320	1.1
190.50626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91446	0.2
54.03494	0.2
55.01872	1.5
55.05507	2.6
55.93543	0.4
56.05041	0.8
56.94318	0.2
56.96561	3.3
56.96803	0.3
57.03440	0.5
57.04573	0.4
57.07084	0.4
58.06610	0.9
59.06129	0.3
60.04520	0.4
63.02386	0.3
65.03933	0.3
67.05521	0.7
68.05043	0.5
68.96337	0.9
69.03442	0.5
69.04562	0.4
69.07063	1.2
70.02969	0.3
70.06587	3.2
70.94258	2.7
70.94620	0.3
70.98893	0.2
70.99245	0.5
71.04988	0.4
71.06129	0.3
71.15766	0.2
71.93008	0.5
71.95268	0.2
72.04514	4.5
72.08150	5.9
72.08527	0.3
72.93781	7.3
74.06098	0.8
75.05622	0.2
79.05515	0.7
80.05030	0.4
81.03414	1.2
81.04546	0.3
81.07054	0.6
82.06583	0.8
83.04980	0.9
83.06107	0.7
83.08633	1.0
84.04520	0.8
84.08139	2.4
85.02921	0.4
85.04015	0.3
85.07664	0.5
86.06087	0.7
86.09706	3.0
86.97385	0.2
87.04446	0.3
88.07642	0.4
88.90896	0.4
88.93262	0.3
88.95285	2.0
88.96922	0.3
89.07150	3.3
89.96428	1.5
90.03432	3.7
90.94821	3.0
91.04237	0.8
93.07057	0.3
94.06571	0.5
95.04987	0.4
95.06087	0.3
95.08597	0.4
96.05625	0.3
96.08123	0.5
97.06519	0.6
97.07664	0.3
98.06065	0.9
98.09679	1.0
98.97620	0.5
99.00003	1.9
99.04469	0.4
99.05531	0.3
99.10036	0.5
99.94843	0.7
100.03976	0.3
100.07625	0.8
106.96297	1.3
107.08582	0.4
107.97482	0.5
108.04462	0.5
108.08104	0.5
108.95844	0.9
109.06502	0.2
109.07577	0.2
109.98940	0.5
110.03402	0.2
110.06023	1.1
110.07154	1.2
111.04455	0.9
111.05572	0.6
111.08167	0.3
111.09197	1.0
111.96895	0.2
112.03930	0.3
112.07602	1.4
112.11241	0.3
113.07124	0.3
113.96396	0.9
114.06635	0.3
114.09167	0.3
116.98611	0.9
117.95882	1.0
119.01934	0.4
124.07573	0.3
124.95387	0.3
125.06021	0.4
125.06995	0.3
125.10725	0.4
126.01063	100.0
126.09139	0.6
127.01407	1.9
127.05070	0.2
127.99947	0.4
128.02626	1.7
128.06230	0.4
128.07079	0.4
128.98634	0.3
129.10295	0.3
129.95851	0.6
129.97906	0.6
130.08614	0.3
130.96362	0.7
131.97430	1.6
134.99666	1.2
136.06192	1.0
136.07539	0.7
138.54141	0.3
139.00276	1.2
139.03885	0.4
143.05945	0.3
143.08377	0.3
143.11755	0.6
144.02103	1.4
144.08032	0.6
144.10173	0.3
146.99660	1.1
147.04987	0.8
147.96904	11.5
147.98866	0.5
148.97354	3.1
150.96805	0.4
153.00624	0.3
153.09108	0.2
153.10220	0.9
153.97849	0.5
154.06487	0.5
154.08627	1.0
154.09720	0.4
155.97421	0.4
156.09273	0.5
157.01324	3.0
165.06081	0.6
165.97963	10.6
166.00098	0.4
170.98482	1.1
171.02878	0.6
171.05467	1.7
171.06805	10.6
171.09024	2.9
171.11186	1.4
171.13686	0.3
171.14909	1.9
171.98930	0.6
172.07147	0.4
172.09595	0.5
172.10941	0.5
173.98438	0.7
188.99367	0.4
189.06001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
52.52047	0.9
53.03959	2.6
55.01869	6.3
55.05504	17.5
55.05745	1.2
55.93532	2.6
56.05045	1.6
56.96564	3.2
57.03433	8.9
57.04600	0.8
57.07073	7.1
57.83530	0.8
59.05021	1.3
59.06126	3.7
64.06448	0.9
65.03928	5.7
67.05499	100.0
68.05048	3.0
68.05850	2.6
68.99802	2.2
69.03423	5.0
69.07061	12.3
69.79532	5.6
70.06584	10.2
70.95858	1.0
71.04987	88.8
72.04527	1.1
72.05322	2.0
72.08176	3.1
72.93813	1.3
79.05486	36.5
80.05038	1.0
80.05846	1.1
81.03423	5.0
81.04585	1.2
81.07052	81.9
82.06603	2.4
82.07392	1.6
83.04984	8.9
83.06116	3.3
83.08649	2.6
84.08164	3.5
85.02910	2.2
85.06538	85.0
85.07629	1.7
85.94646	1.0
86.06888	1.7
86.08477	1.2
87.04485	2.2
88.96894	1.1
91.05474	40.1
91.11151	1.0
93.03430	1.0
93.07034	14.5
94.06564	1.8
94.07415	1.0
95.04961	10.7
95.05436	0.9
95.06078	1.3
95.08601	22.3
96.08141	2.0
97.06523	12.7
97.07040	1.2
97.07642	1.7
98.03655	0.8
98.07188	1.2
98.21433	1.7
99.04469	3.8
99.08109	0.9
102.03422	1.0
103.95612	0.9
105.07027	37.6
106.06598	1.0
106.07338	1.0
107.04962	2.0
107.08591	34.2
108.08953	2.1
109.02879	10.0
109.06525	16.2
109.07653	3.7
109.10149	41.1
110.03672	2.7
110.06059	2.5
110.07180	3.3
110.09700	1.1
110.10487	0.9
110.97665	0.9
111.00800	5.8
111.04472	6.6
111.08082	4.2
111.09199	11.7
113.06027	3.3
113.96458	0.9
115.05444	1.1
121.10156	1.8
123.04446	2.9
123.08062	13.5
123.11700	11.2
124.07606	3.5
124.08636	1.1
125.06020	1.7
125.09646	4.6
126.03122	10.0
126.10262	1.4
127.03971	1.1
127.07582	1.3
127.12339	0.9
128.95125	3.8
131.08562	1.8
131.97479	0.9
133.10123	37.2
134.10506	0.9
137.02393	2.5
138.06779	1.7
139.03920	3.2
139.11232	2.4
141.05460	24.6
141.07001	1.6
146.96165	7.3
146.97394	2.2
151.03909	3.0
151.07654	1.0
151.11166	35.0
152.07097	2.1
152.08253	2.5
152.11703	1.7
154.06281	11.1
154.07707	1.8
163.97740	1.4
169.05122	8.7
169.06540	0.9
169.07581	24.4
169.09938	1.7
169.12195	11.5
169.14539	1.2
169.15891	1.1
169.99075	1.0
170.06006	1.2
170.08107	2.1
170.09563	2.5
181.98701	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	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03936	2.3
55.01874	1.1
55.05505	10.3
56.96556	1.8
57.03431	0.7
57.07069	2.3
59.05000	3.2
65.03948	0.7
67.05495	6.2
69.03424	2.2
69.07059	45.4
70.07390	0.5
70.35556	1.4
77.03906	0.7
79.05479	20.1
80.05836	0.6
81.03400	0.7
81.07045	12.0
82.06546	0.6
83.04980	3.5
83.06052	0.4
83.08600	2.3
84.93816	0.9
84.96025	1.5
85.02884	0.6
91.05471	12.8
93.07029	83.8
94.07373	1.8
95.04952	6.0
95.08591	13.7
97.06522	7.0
97.10136	0.8
101.91464	0.4
102.94863	1.7
103.00620	0.5
103.05465	1.7
105.04492	0.7
105.07016	24.2
106.07806	1.2
107.04939	1.0
107.08573	3.9
109.06500	2.0
109.07610	0.5
109.10149	1.2
110.06031	0.4
111.04427	0.9
111.08069	0.7
111.11703	7.1
111.78281	0.4
119.08545	5.8
120.95921	0.5
121.01656	4.9
121.02937	0.5
121.06495	1.8
121.10126	100.0
122.05965	0.4
122.07152	0.5
122.10462	2.0
123.04390	0.8
123.08053	7.1
123.11658	0.8
125.06006	0.9
125.09643	0.7
125.96420	1.2
131.08562	0.7
133.07550	2.5
138.06743	0.5
139.02707	2.4
139.03706	0.4
139.11163	3.5
143.97508	0.5
144.03220	2.9
144.95828	1.3
149.02316	0.6
149.05975	0.8
149.09590	14.3
150.10068	0.5
162.04271	1.2
167.03391	0.5
167.07040	4.6
167.08406	0.8
167.10648	29.7
168.11227	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	168.1384
Annotation	4-Epimyrtine
Peak:m/z	Relative Intensity
53.03931	1.8
54.03463	3.2
55.01845	1.9
55.05268	1.0
55.05507	14.9
56.05030	7.4
56.94303	0.7
56.96558	4.5
57.03425	1.1
57.07058	1.5
58.06594	1.3
59.04985	0.6
59.06121	2.5
60.04519	0.6
65.03921	1.6
66.03450	0.4
67.05168	0.5
67.05499	6.4
67.93542	0.9
68.04669	0.9
68.05021	16.3
68.99793	0.7
69.03425	2.6
69.04540	0.5
69.05788	1.3
69.07061	10.5
70.02945	0.8
70.04069	1.3
70.06586	33.6
70.95858	0.5
71.04586	0.7
71.04985	14.7
71.06090	0.8
71.06912	0.9
72.04485	1.4
72.08155	4.7
72.93773	2.3
73.06562	0.7
79.05483	5.1
80.05007	6.2
80.05807	0.6
81.03418	3.7
81.04518	1.6
81.05778	3.5
81.07051	7.6
82.02933	0.5
82.06571	7.2
82.07338	0.5
83.04917	2.0
83.06109	3.2
83.07350	2.0
83.08597	0.8
83.97627	0.6
84.04480	2.1
84.08142	5.2
84.93814	2.2
85.02871	1.4
85.04010	2.3
85.06532	0.7
85.07642	1.1
85.08475	0.8
85.94568	0.5
86.06045	3.9
86.08426	0.6
90.94837	0.5
91.05465	2.5
93.05773	1.6
93.07026	2.0
94.06559	7.0
94.07373	0.9
95.01324	0.8
95.04964	2.4
95.06070	2.1
95.07338	1.1
95.08617	2.7
96.04467	0.6
96.08121	8.3
96.08807	0.6
97.02867	0.8
97.04011	1.4
97.06499	1.5
97.07637	3.6
97.08929	0.7
98.03634	0.5
98.06040	2.7
98.07166	1.3
98.09685	7.1
98.97559	0.5
99.04443	0.7
99.05569	1.6
99.08030	0.9
100.03973	0.6
100.07633	1.3
102.94839	3.8
103.95614	0.8
105.07019	1.5
106.06561	0.6
107.04956	0.6
107.06049	0.9
107.07359	0.7
107.08586	1.1
108.04450	1.7
108.08122	7.2
108.08832	0.6
108.95843	0.8
109.02865	6.3
109.04000	0.6
109.06480	1.6
109.07636	11.2
109.10136	1.8
110.06066	2.5
110.07161	1.2
110.08466	1.0
110.09665	9.1
111.00791	2.2
111.04445	4.3
111.05556	1.8
111.06824	0.6
111.08031	1.0
111.09225	6.2
112.03951	0.9
112.07590	2.5
112.09518	0.7
113.06013	0.6
113.07083	0.5
116.98626	0.6
118.94289	0.6
119.01917	0.5
120.08097	1.6
120.95870	1.1
121.01681	0.5
121.07640	0.8
122.06003	2.8
122.06981	0.8
122.09695	2.3
122.10456	0.8
123.04391	1.7
123.05518	1.7
123.08055	1.9
123.09152	2.0
123.11675	1.2
124.03941	1.0
124.05034	0.9
124.07578	1.9
124.08653	1.3
125.05986	0.9
125.07092	1.2
125.10762	0.6
125.96388	1.9
126.03102	4.6
126.05511	1.9
126.06628	16.0
126.09127	7.2
126.10148	1.3
127.03950	0.9
127.05012	1.1
127.08612	0.8
128.09442	0.9
134.99661	0.9
138.10201	1.0
138.12680	0.7
139.08832	0.6
139.09895	3.4
140.07019	3.3
140.10680	1.4
140.14301	0.9
141.05458	10.4
141.06544	1.0
141.07819	0.5
141.10251	0.5
143.97476	2.4
144.95808	7.1
144.96696	0.7
145.03481	2.8
145.04507	0.5
150.05498	3.3
150.09123	1.3
150.10184	1.3
151.03935	1.2
151.05028	0.9
151.06139	10.8
151.07430	1.2
151.08598	3.0
151.10646	1.0
151.12225	0.5
152.08145	0.5
152.14302	1.4
153.04153	0.6
154.02606	0.6
162.96919	5.2
163.02733	0.8
163.04649	0.7
163.97607	1.2
167.97462	1.0
168.06451	4.7
168.07791	1.0
168.08855	2.2
168.11494	18.2
168.13820	100.0
169.04958	4.8
169.07541	5.2
169.12035	0.6
169.14235	3.5
181.98746	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	166.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52462	0.4
53.03952	1.0
55.01855	0.6
55.05506	6.0
56.05025	2.9
56.96558	8.6
57.03439	1.1
59.38028	0.4
62.33762	0.4
65.03942	0.8
66.04704	0.5
67.05503	3.6
68.05017	3.6
68.05831	0.4
69.03422	37.8
69.07057	2.7
69.58030	2.1
69.58440	0.9
70.03744	0.9
70.06583	21.6
71.04983	0.7
71.06911	0.5
72.66422	0.4
79.05482	14.1
80.05013	1.9
80.05803	0.6
81.07048	50.5
82.06565	2.4
82.07381	1.9
83.04967	0.9
83.08610	0.6
83.93043	1.9
84.04500	2.8
84.08138	2.8
84.93847	0.5
84.96021	3.5
86.06059	39.8
87.06394	0.6
91.05453	1.3
92.05773	0.4
93.07027	3.1
94.06564	1.7
95.04958	2.2
95.08586	1.6
96.05299	0.9
96.08120	27.1
97.06532	1.0
98.06044	100.0
98.09665	1.4
99.06379	1.9
101.94077	0.9
102.00929	1.0
102.02243	2.6
102.94866	1.4
102.95649	0.8
102.97057	0.6
103.05441	0.8
105.07002	1.0
106.06541	0.7
107.04967	0.6
107.08569	1.4
109.06539	0.6
110.09661	0.9
112.07595	21.3
113.07917	0.5
115.96438	2.7
116.97192	2.8
119.01875	4.4
119.08561	0.6
119.95123	1.5
119.97308	1.8
120.01986	11.5
120.03232	3.7
120.08097	6.5
120.08891	0.9
120.95833	0.6
121.01653	7.8
121.02422	0.6
121.06480	1.4
121.10121	1.7
122.03081	1.3
122.06000	0.5
122.07083	0.5
123.04378	0.8
124.07578	73.5
125.07912	2.0
125.09650	0.7
125.96407	0.5
128.97827	3.8
130.79533	0.5
131.48122	0.9
133.97411	2.3
137.02911	2.8
137.98347	5.8
138.03047	7.5
138.05441	1.3
138.09094	1.2
139.02675	4.9
139.07555	0.6
140.48572	2.6
142.03464	1.5
142.96671	9.1
143.03612	8.7
144.03212	5.5
148.04755	0.9
148.07555	0.6
148.11176	2.0
149.02357	0.9
149.09566	1.1
149.49171	1.2
160.04567	0.8
161.01184	1.0
161.04663	4.1
162.04239	1.8
163.03859	1.0
165.98256	1.0
166.05006	3.7
166.08495	3.8
166.12231	19.6
167.03398	0.9
167.06960	2.1
167.10640	1.5
167.12608	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	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.02412	0.1
53.03930	0.1
55.05506	0.3
56.49973	0.1
56.96563	1.3
57.03431	0.1
65.03935	0.1
66.85674	0.1
67.05507	0.7
68.05014	0.1
68.05838	0.3
69.03418	0.2
69.07063	0.1
69.27631	1.2
70.06581	0.3
77.03941	0.2
78.04709	0.1
79.05491	1.8
79.62338	0.1
80.05021	0.1
81.03439	0.1
81.07049	0.5
82.06581	0.2
82.07388	0.4
83.04986	0.2
83.06097	0.1
83.93028	0.4
84.96024	0.4
86.36453	0.1
91.05474	1.2
92.05809	0.3
93.07046	2.7
94.06544	0.1
94.07367	0.1
95.04984	0.6
95.08603	0.4
96.08947	0.2
97.06516	0.2
98.06025	0.1
101.94094	0.1
102.00953	0.1
102.02231	0.4
102.94859	0.2
102.97099	0.1
103.02330	0.1
103.05467	10.4
104.05815	0.3
105.07037	0.4
106.06573	0.2
106.07321	0.1
107.04955	2.3
107.06062	0.1
107.08606	0.5
109.06493	0.2
109.07650	0.2
109.10139	0.2
110.06049	0.2
110.09727	0.1
110.10490	0.4
111.04466	0.1
111.08099	0.1
115.96439	0.4
116.97224	0.3
118.06554	0.2
119.01911	0.5
119.07404	0.1
119.95124	0.2
119.97387	0.1
120.02025	1.8
120.08104	100.0
121.01662	0.7
121.06512	0.3
121.08442	2.6
121.10133	0.5
122.07185	0.2
123.04405	0.3
123.06791	0.1
123.08121	0.2
124.05186	0.1
124.07663	0.1
124.08669	0.4
125.96368	0.1
128.97794	0.5
131.04918	2.2
131.08591	0.2
133.97461	0.3
137.02979	0.5
137.98337	0.7
138.03059	1.1
138.05487	0.3
138.09061	0.2
138.09987	0.8
139.02750	0.5
140.48611	0.3
142.03520	0.4
142.96703	1.5
143.00186	0.3
143.03638	1.2
143.05421	0.3
144.03246	0.4
148.04823	0.3
148.07559	0.1
149.02296	0.1
149.05995	0.7
149.09651	0.2
149.49164	0.2
152.05965	0.3
157.05437	0.1
161.00087	0.1
161.01175	0.5
161.04681	0.5
162.04260	0.2
163.56802	0.1
165.98331	0.2
166.04991	0.8
166.08623	1.5
166.09651	0.7
166.13188	0.1
167.03348	0.2
167.07034	1.0
167.09395	0.2
167.10747	0.3
170.78593	0.1
179.02454	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	166.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01867	1.4
55.05499	3.2
55.85133	0.8
56.05033	25.7
56.05311	1.4
56.96562	37.9
57.03423	3.3
58.98244	0.7
59.04994	1.5
59.93103	0.8
60.04528	1.2
61.01146	1.2
61.02905	0.9
64.63236	0.7
65.00648	1.3
65.03909	0.9
65.92613	1.3
67.05490	2.9
69.03424	3.8
69.07069	0.9
70.06579	1.9
71.04983	3.2
71.16709	1.5
71.95258	4.9
72.08154	1.0
72.96046	1.4
73.02899	1.0
74.02435	74.3
74.06078	3.2
74.97614	1.1
75.02702	13.8
79.05476	3.6
80.05005	2.1
80.94953	2.9
81.03415	1.2
81.04534	8.6
81.91516	0.8
82.06597	1.0
83.04966	1.4
83.93024	1.5
84.04493	1.1
84.08166	3.8
85.02890	2.7
87.04444	0.9
88.03969	1.0
91.05476	1.7
92.05794	2.2
93.07051	3.9
95.04959	3.0
96.04489	0.9
96.05277	1.9
97.02290	1.2
97.06545	0.9
98.95967	1.0
98.97589	1.8
100.05186	1.2
101.00859	1.6
102.00948	1.0
102.05533	13.3
102.96999	1.1
103.03944	2.1
103.05455	12.5
106.02847	4.2
107.04946	2.6
107.08633	0.9
108.04462	1.7
108.95923	0.8
110.02392	2.2
110.06037	2.5
110.53588	0.8
111.04468	1.0
113.02353	1.6
115.02405	2.4
115.03332	2.4
116.98614	1.5
117.03964	1.3
118.98086	1.4
119.01905	9.9
119.04909	0.9
119.95155	1.4
120.02001	17.5
120.04528	1.2
120.05286	3.9
120.08097	100.0
121.01668	7.0
121.03187	2.2
121.06505	2.8
121.08421	1.2
121.10134	1.1
121.97560	2.6
122.07149	6.4
123.04400	1.6
124.03927	1.8
124.04754	1.9
124.93873	1.1
128.01241	0.8
130.03773	1.0
131.00122	1.5
131.01883	1.6
131.04910	3.6
133.03474	4.0
134.99574	1.9
135.05028	1.2
136.07620	1.7
137.02934	5.6
138.03032	12.6
138.05411	3.9
138.09146	1.7
139.02689	3.6
139.09767	7.9
140.08095	0.9
142.03497	2.2
142.96675	7.9
143.00211	1.9
143.01880	1.5
143.03630	13.6
144.03241	2.8
146.99629	1.1
148.03882	0.8
148.04791	6.8
148.07562	1.2
149.01311	1.9
149.02669	9.0
149.05952	1.6
151.94128	1.6
159.05046	1.1
160.96016	2.8
160.97560	9.7
161.01186	6.4
161.02971	3.3
161.04703	9.1
161.97217	1.2
162.04288	1.6
166.05090	9.4
166.08609	8.6
166.09557	1.1
166.12199	1.2
167.03490	1.0
167.07001	1.9
167.09315	8.5
178.96535	1.5
178.98602	2.6
179.02271	2.3
179.03926	1.1
184.04619	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03954	2.5
55.01881	2.7
55.05510	7.1
56.05044	0.8
56.96562	10.5
57.03445	2.8
57.07079	1.8
57.84784	0.6
65.03951	2.4
67.05502	25.2
68.05039	0.8
69.03418	5.1
69.07062	5.2
69.42835	6.4
70.06596	1.2
71.04987	1.9
71.08643	0.8
72.93801	0.9
79.05490	12.9
80.05037	1.1
80.05833	1.1
81.03411	2.7
81.04537	1.4
81.06576	1.3
81.07050	25.4
82.07330	1.0
83.04979	4.7
83.06094	1.1
83.08620	2.2
91.05481	17.3
91.55825	0.6
92.05807	0.9
93.07038	15.8
94.06582	1.1
95.04959	10.9
95.06066	1.0
95.08602	19.9
96.08947	1.0
97.06537	1.9
97.07653	1.4
100.01779	0.8
100.02462	1.3
101.00863	4.8
101.02567	1.3
103.05486	1.9
105.04456	0.9
105.07024	15.6
105.07670	1.2
106.07335	0.9
107.04950	1.9
107.06093	0.9
107.08585	15.0
108.08920	1.8
109.02266	1.2
109.06509	20.3
109.07651	1.0
109.10151	22.0
110.07277	0.8
110.10487	0.7
111.04468	0.8
111.09214	1.0
112.02915	0.7
116.53302	0.8
116.97228	1.2
117.07014	2.3
118.03531	1.0
119.01913	41.1
119.03639	1.4
119.04932	7.3
119.08579	24.9
120.01998	3.7
120.04459	0.6
120.08092	5.0
120.08872	1.2
121.06496	2.1
121.07607	0.8
121.10133	19.2
122.07259	9.1
122.53325	0.7
123.03764	1.4
123.04535	1.5
123.06698	1.1
123.08070	14.2
123.11721	4.3
123.54029	1.3
124.02448	0.9
124.08709	2.6
125.09480	1.1
127.07526	1.0
130.04646	3.4
130.54849	1.0
133.02853	2.1
135.08049	2.8
137.02948	23.2
137.05965	2.5
137.09605	100.0
137.13226	2.3
137.98366	1.3
138.03067	1.6
138.05560	1.0
138.06554	1.3
138.09999	4.2
142.03490	24.9
142.04593	1.4
142.96667	2.8
143.03656	2.4
147.04399	13.9
147.08072	2.2
147.11681	11.1
148.04771	0.7
148.08676	1.7
150.10344	4.6
151.07002	1.2
157.05507	0.7
160.04544	10.5
161.01178	1.3
161.04654	1.0
165.05328	4.2
165.06764	1.3
165.07677	2.2
165.09073	13.1
165.11452	2.0
165.12737	42.6
166.04999	1.9
166.08604	1.3
166.13115	1.8
175.02917	1.0
180.08107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.65531	0.3
53.03955	1.1
55.01879	0.7
55.05505	3.6
56.05037	0.8
56.96556	0.4
57.03436	1.7
57.07076	2.1
57.74077	0.3
57.96827	0.4
58.06598	0.4
59.04996	1.7
65.03918	3.2
67.05501	17.4
68.05029	0.9
69.03429	4.8
69.07067	5.0
69.60971	3.1
70.06568	1.9
71.04991	1.1
79.05488	7.8
79.05943	0.4
80.05022	0.5
81.03417	1.7
81.04561	0.7
81.07053	15.5
82.06559	0.5
82.07381	0.4
83.04994	1.8
83.06100	1.4
83.08620	1.4
85.07661	0.6
91.05475	37.8
92.05826	1.3
93.07034	5.4
95.04964	25.7
95.06050	0.9
95.08601	14.4
96.05239	0.5
97.06499	0.8
97.07658	0.9
101.00875	1.0
103.05469	1.3
105.07035	8.2
106.07331	0.5
107.04933	2.9
107.06059	0.9
107.08586	20.3
107.61890	0.5
108.05740	0.9
108.08910	1.3
109.06513	13.3
109.07678	1.4
109.10154	2.6
110.07256	1.4
111.09227	0.5
114.36370	0.4
117.06995	2.0
118.10523	0.4
119.01928	11.3
119.04937	54.4
119.08567	19.2
120.05277	2.7
120.08111	3.9
120.08891	0.8
121.06479	1.3
121.07532	0.6
121.10138	5.7
122.07170	1.8
123.04459	2.1
123.08060	17.7
123.10796	0.8
123.11693	13.4
124.08671	1.3
124.11990	0.6
125.09464	0.7
129.06979	1.1
132.05711	1.9
132.09323	0.4
133.04955	0.5
135.11693	0.4
136.08781	0.8
137.02965	3.9
137.05940	1.5
137.09605	4.4
137.12346	0.6
137.13269	2.3
138.03108	0.4
141.09067	0.5
142.03493	5.7
142.96721	0.9
145.10110	0.5
147.04401	100.0
147.08031	9.7
147.11673	4.5
148.04747	5.8
148.08638	2.3
150.10403	0.6
160.04599	2.0
165.01741	0.5
165.05444	1.6
165.07762	0.8
165.09117	5.7
165.11449	2.3
165.12738	40.0
166.04948	0.9
166.08507	0.5
166.13141	2.1
181.10849	0.4
184.21063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03953	1.2
55.01876	1.9
55.05506	4.3
56.05040	0.7
56.96572	1.6
57.03426	2.8
57.07071	2.7
58.06622	0.5
65.03950	1.2
65.65502	0.4
65.70184	0.4
67.03011	0.4
67.05500	16.6
68.05030	1.0
68.99811	0.7
69.03425	3.7
69.07054	4.8
70.06599	1.1
71.05000	1.0
71.08639	0.9
71.59928	0.4
77.06927	0.4
79.02960	0.4
79.05483	8.1
79.58564	0.4
80.05017	1.1
81.03427	2.0
81.04549	0.8
81.07050	17.8
82.05289	0.4
82.06580	0.6
83.04981	3.7
83.06106	1.3
83.08612	1.9
83.93050	1.0
85.02900	0.7
85.06525	0.7
91.05471	16.0
91.44526	0.4
92.05830	0.7
93.04494	0.5
93.07030	13.8
95.04961	10.4
95.06051	0.4
95.08595	16.6
96.04459	0.5
96.05745	0.6
97.06522	1.3
97.07649	0.6
101.00833	2.2
101.02579	0.7
102.02222	0.6
103.05460	1.5
105.07017	11.7
107.04973	2.0
107.06104	1.5
107.08588	10.0
108.05661	0.7
109.02825	0.5
109.06506	20.2
109.07633	0.8
109.10143	16.9
110.06071	0.7
110.07315	0.5
110.09689	1.0
111.09222	0.6
115.96457	0.6
116.97251	0.7
117.07006	1.8
118.03527	0.6
119.01913	25.0
119.04944	6.1
119.08569	23.1
120.02030	1.8
120.03288	0.5
120.08115	4.4
120.08910	1.0
121.06472	2.2
121.10131	21.6
122.07255	9.0
122.10468	0.8
123.04406	1.4
123.06734	0.5
123.08070	11.7
123.11680	4.7
124.02491	0.6
124.05078	0.5
124.08669	1.7
125.05955	0.5
127.07533	0.6
129.07033	0.8
132.09351	0.4
133.02805	0.9
133.07574	0.6
135.08017	2.4
136.07547	0.8
137.02956	13.9
137.05965	1.7
137.09602	100.0
137.13226	1.8
137.98294	0.7
138.03041	1.2
138.05455	0.6
138.09073	2.7
138.10013	3.8
142.03477	16.3
142.04588	0.8
142.96680	2.8
143.03615	1.7
145.10075	0.7
147.04396	12.2
147.06812	0.5
147.08046	1.9
147.11673	6.7
148.04770	0.6
148.08669	1.2
150.10397	5.0
160.04541	7.1
161.01208	0.5
161.04681	0.6
165.01823	1.6
165.05432	2.6
165.07617	1.6
165.09079	12.5
165.11386	2.5
165.12727	36.9
166.04970	1.4
166.08495	2.6
166.09805	0.9
166.13042	1.6
181.43549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03946	1.3
55.01864	2.4
55.05509	7.8
56.05030	0.9
56.96560	12.5
57.03176	0.5
57.03416	3.0
57.07057	0.7
59.06127	0.7
65.03934	2.1
67.05499	36.6
68.05035	0.5
68.05815	0.6
68.99805	0.8
69.03429	5.2
69.07072	3.5
70.06581	1.8
71.04987	1.1
71.12189	0.6
71.12534	1.1
71.95251	0.5
72.93764	0.7
74.93855	0.5
77.03942	0.5
79.05482	10.1
80.05040	1.0
81.03410	3.9
81.04549	1.4
81.07050	21.0
82.06574	0.9
82.99837	0.9
83.04271	0.4
83.04440	0.6
83.04975	9.2
83.06116	1.3
83.08610	1.6
83.93029	1.2
85.02897	0.8
85.06544	1.0
91.05472	21.4
92.05805	0.7
93.07048	10.1
95.04356	0.9
95.04964	16.7
95.08600	11.8
97.04021	0.7
97.06536	2.8
97.07621	0.8
100.02474	1.8
101.00860	5.8
101.02560	1.9
102.02238	0.9
103.05469	1.8
104.06242	1.0
105.07024	9.9
107.04939	4.8
107.06042	1.1
107.08591	7.5
108.05680	0.6
109.02912	0.7
109.06515	10.2
109.10146	34.6
110.10474	1.3
111.04433	0.8
111.09176	1.1
112.02888	0.5
113.02592	0.4
115.05376	0.7
115.96419	1.2
116.03130	0.8
116.97201	1.5
117.07021	2.6
118.03520	2.2
119.01911	78.2
119.03661	2.7
119.04927	11.9
119.08572	26.3
119.95117	0.8
119.97295	0.5
120.01981	4.4
120.03239	0.7
120.08118	3.6
121.04086	0.9
121.06489	2.4
121.07606	0.9
121.10117	5.1
122.07266	17.2
123.04409	2.2
123.06709	1.2
123.08089	5.9
123.10010	0.6
123.11676	2.2
124.02424	1.5
124.08683	2.3
125.09478	0.7
128.97786	0.9
129.05627	1.0
130.04626	1.5
133.02861	1.9
133.97406	0.9
134.04855	3.2
135.08000	0.7
137.02951	43.7
137.06024	3.7
137.09602	68.0
137.98337	1.5
138.03044	2.7
138.05515	1.2
138.06595	1.0
138.09984	1.6
142.03487	47.6
142.96690	5.5
143.00122	0.5
143.03654	3.6
143.05424	8.8
147.03215	1.0
147.04393	19.3
147.08025	5.3
147.11670	7.9
148.04782	1.3
148.08638	1.5
152.05925	10.1
154.56241	1.7
160.04547	20.8
161.01202	1.9
161.04718	1.4
163.56770	1.0
165.01817	1.4
165.05449	5.9
165.09094	100.0
165.11383	2.8
165.12709	17.0
166.05022	2.0
166.08363	1.0
166.09464	3.3
175.02789	1.3
179.02232	1.1
183.06136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
51.02372	0.5
53.03938	2.6
55.01858	0.6
56.05029	0.5
56.96561	4.6
57.03442	0.4
60.95837	0.4
61.02903	0.4
61.28660	0.3
63.88062	0.3
65.03928	1.1
65.92619	0.3
67.05490	1.2
69.03423	0.3
69.91016	0.5
69.91428	1.1
70.06580	1.4
71.95242	0.8
74.02444	0.7
75.02718	0.3
77.03874	0.4
80.94952	1.1
81.03409	0.5
81.07048	1.2
82.06565	0.6
84.08133	1.9
91.05470	19.7
93.07019	1.8
94.04182	0.3
95.04956	73.6
96.05289	1.1
100.02468	0.6
101.00867	4.2
103.05460	4.7
105.04503	1.8
107.04935	0.6
109.06511	3.5
116.98621	0.4
118.06463	0.3
119.01910	31.8
119.04924	55.7
120.02004	1.1
120.05268	1.1
120.08071	1.2
121.06482	2.4
121.97479	0.5
123.04411	100.0
124.02426	0.9
124.04752	2.1
124.93878	0.6
128.04404	0.4
134.99532	0.4
136.06203	0.5
137.02942	12.5
137.05940	2.0
138.03110	0.4
138.05573	0.4
142.03477	18.2
142.96597	0.4
143.03604	0.9
147.04391	16.2
148.04803	0.4
149.04568	0.9
153.04044	0.8
160.04544	6.6
160.95978	0.9
160.97449	0.3
161.01143	0.4
161.04704	0.4
165.05418	2.5
165.06613	0.4
166.05040	0.4
166.07249	6.6
166.08580	0.5
167.05603	1.8
179.02048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.11742	0.2
65.03930	1.2
67.05492	0.5
68.05020	0.2
69.03409	0.2
69.90329	0.9
70.06583	0.2
79.05480	0.3
81.07061	0.3
91.05473	25.4
92.05805	0.6
93.07050	0.1
95.04968	1.5
95.06091	0.2
95.08587	0.3
98.20802	0.2
99.74290	0.1
103.05445	0.3
105.07021	0.5
107.08573	0.3
107.76147	0.1
109.06524	0.3
109.10143	0.3
119.02016	1.0
119.04932	52.1
119.08577	0.5
120.05209	1.3
120.08086	0.6
121.06540	0.2
123.04423	1.5
123.08101	0.4
125.09476	0.2
137.02946	0.6
137.09627	0.4
142.03447	0.9
147.04396	100.0
148.04736	2.8
160.04495	0.3
165.05495	1.0
165.07750	0.2
165.09102	0.5
165.12729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02373	0.2
53.03941	0.3
55.05505	0.3
56.05043	0.4
56.96566	0.2
58.06590	0.2
65.03930	1.6
67.05502	0.8
68.05022	0.7
69.03429	0.3
70.06569	0.5
71.35399	0.2
79.05453	0.4
80.05005	0.4
81.03461	0.2
81.04530	0.7
81.07055	0.6
82.06567	0.5
83.06091	1.0
84.08118	0.2
85.07654	0.5
91.05471	25.1
92.05812	0.6
93.07032	0.3
94.06527	0.2
95.04972	2.0
95.06056	0.3
95.08610	0.5
97.07651	0.5
98.07155	0.2
101.00881	0.6
103.05455	0.2
104.44041	0.2
105.04536	0.2
105.07014	0.4
107.05013	0.2
107.06033	0.5
109.06531	0.4
109.07592	0.3
109.10162	0.3
110.07150	0.3
111.09168	0.2
119.01923	6.3
119.04928	52.5
119.08538	1.1
120.01963	0.2
120.04510	0.2
120.05215	1.2
120.08086	1.0
121.07587	0.4
122.07140	0.5
123.04408	2.1
123.08018	0.5
124.08714	0.7
125.05818	0.2
125.09494	0.5
133.02785	0.3
137.02948	3.1
137.05977	0.5
137.09570	0.5
138.10233	0.3
142.03487	4.0
142.96622	0.5
147.04391	100.0
148.04756	2.6
148.08704	0.4
160.04550	1.5
161.01201	0.2
165.01862	0.2
165.05458	1.5
165.09076	0.9
165.11319	1.0
165.12573	0.2
182.99733	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	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03936	0.5
54.03459	0.3
55.01859	0.6
55.05508	0.6
56.05034	0.7
56.96559	0.5
57.03431	0.6
57.04569	0.2
58.06598	0.6
59.06120	0.3
65.03936	1.9
67.05504	3.6
68.05045	1.1
69.03441	1.1
69.04530	0.3
69.07066	0.3
70.06580	0.9
70.88705	0.3
70.89038	0.4
71.85449	0.2
76.90555	0.2
77.03935	0.2
79.05484	1.9
80.05016	0.7
81.03427	0.5
81.04544	0.6
81.05783	0.2
81.07058	2.5
82.06582	0.9
83.04993	0.7
83.06099	1.7
83.93046	0.4
84.08144	0.3
85.02911	0.4
85.07666	0.7
91.05476	28.9
92.05811	0.9
93.07051	1.2
94.06580	0.3
95.04966	3.1
95.06071	0.5
95.08600	1.5
96.44416	0.2
97.06445	0.2
97.07658	0.7
98.07161	0.5
100.02463	0.4
101.00855	1.6
103.05478	0.9
105.07034	1.8
107.04942	0.4
107.06084	1.1
107.08573	1.1
109.02877	0.4
109.06534	1.3
109.07620	0.8
109.10147	3.0
110.06009	0.2
111.09203	0.6
117.07014	0.4
118.03536	0.4
119.01924	16.8
119.04936	54.3
119.08572	3.7
120.02021	0.7
120.05201	1.6
120.08092	2.5
121.06488	0.4
121.07609	0.8
121.10159	0.7
122.07144	1.1
123.04446	2.5
123.08046	1.7
123.11695	0.5
124.02445	0.3
124.07780	0.3
124.08687	1.6
125.07114	0.2
125.09503	1.0
133.02866	0.6
133.06343	0.2
137.02950	8.7
137.05937	1.3
137.07950	0.6
137.09560	1.8
137.10483	0.2
138.03024	0.4
138.06590	0.3
138.09210	0.3
138.10271	0.7
142.03493	10.7
142.96715	0.6
143.00186	0.3
143.03558	0.6
147.04402	100.0
147.08058	1.4
147.11673	0.7
148.04759	3.2
148.08682	1.6
160.04547	4.4
161.01256	0.6
165.01886	0.4
165.05504	1.9
165.07657	0.6
165.09093	3.0
165.11369	2.3
165.12741	1.0
166.05003	0.5
166.08562	0.4
178.83167	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	165.0546
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
51.02394	0.3
51.42842	0.3
53.03942	0.7
54.03480	0.6
55.01887	0.9
55.05510	1.7
56.05042	1.1
56.96567	0.9
57.03441	1.3
57.07077	1.4
58.06604	0.5
59.05006	1.0
59.06116	0.6
59.48718	0.3
65.03934	2.8
66.03466	0.4
67.05499	8.9
68.05023	1.4
68.99751	0.3
69.03424	3.3
69.04546	0.4
69.07066	3.0
70.06589	2.1
70.76312	0.5
70.76707	0.6
71.05014	0.7
76.22848	0.3
79.05489	5.1
80.05015	1.0
81.03420	1.2
81.04546	1.1
81.05809	0.3
81.07053	9.1
82.05310	0.3
82.06593	0.9
83.04979	1.4
83.06105	2.6
83.08617	0.6
84.08144	0.4
85.02894	0.5
85.07654	0.5
86.08459	0.3
89.13661	0.3
91.05471	33.5
92.05805	0.9
93.07040	3.7
94.04192	0.3
95.04961	14.7
95.06085	1.0
95.08591	8.1
96.05651	0.4
97.06518	0.6
97.07648	1.1
98.07181	0.9
101.00851	1.8
103.05453	1.7
105.07021	5.5
105.07678	0.5
106.07358	0.5
107.04954	1.7
107.06078	1.8
107.08585	10.7
108.05654	0.7
108.08900	0.4
109.02866	0.6
109.06509	7.2
109.07608	1.6
109.10135	2.3
110.06014	0.3
110.07217	1.5
111.04439	0.3
111.09203	1.2
112.08733	0.3
115.05453	0.3
117.06991	1.2
118.03523	0.3
119.01917	20.3
119.04931	57.0
119.08566	12.6
120.01998	1.2
120.05297	1.2
120.08099	6.9
120.08892	0.4
121.06483	1.2
121.07623	0.9
121.10129	2.7
122.07169	2.1
123.04438	3.0
123.08057	10.8
123.10819	0.4
123.11694	6.0
124.02456	0.4
124.08695	2.8
125.05939	0.3
125.09483	1.6
129.06982	0.6
131.02408	0.3
132.05687	0.9
133.02835	0.8
135.08038	0.4
135.11682	0.3
136.08727	0.4
137.02942	11.3
137.05936	2.4
137.08026	0.3
137.09599	3.2
137.13246	0.7
138.03018	0.5
138.05531	0.4
138.06560	0.6
138.10248	1.0
142.03487	13.2
142.96664	0.9
143.03653	0.7
147.04395	100.0
147.08031	5.7
147.11650	3.1
148.04778	2.7
148.08661	2.3
149.58224	0.3
149.70541	0.3
160.04544	5.9
161.01176	0.3
165.01794	0.6
165.05501	2.9
165.07657	1.3
165.09064	5.7
165.11336	3.8
165.12712	20.8
166.04974	0.7
166.08490	0.5
166.09740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69536	0.3
58.85721	0.3
59.54309	0.3
61.39349	0.3
67.61414	0.3
69.50317	2.5
73.05805	0.3
78.85741	0.3
82.99850	1.0
85.07669	0.3
100.02462	1.0
101.00861	14.0
105.56068	0.3
118.03500	0.8
119.01902	100.0
120.01942	2.6
124.02409	2.8
132.30824	0.3
137.02937	40.5
138.03052	1.5
142.03477	57.8
143.03589	1.8
154.57979	0.3
160.04536	21.4
161.04623	0.5
165.05090	1.1
176.89735	0.3
183.06100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03938	2.6
55.01858	0.6
56.05029	0.5
56.96561	4.6
57.03442	0.4
60.95837	0.4
61.02903	0.4
61.28660	0.3
63.88062	0.3
65.03928	1.1
65.92619	0.3
67.05490	1.2
69.03423	0.3
69.91016	0.5
69.91428	1.1
70.06580	1.4
71.95242	0.8
74.02444	0.7
75.02718	0.3
77.03874	0.4
80.94952	1.1
81.03409	0.5
81.07048	1.2
82.06565	0.6
84.08133	1.9
91.05470	19.7
93.07019	1.8
94.04182	0.3
95.04956	73.6
96.05289	1.1
100.02468	0.6
101.00867	4.2
103.05460	4.7
105.04503	1.8
107.04935	0.6
109.06511	3.5
116.98621	0.4
118.06463	0.3
119.01910	31.8
119.04924	55.7
120.02004	1.1
120.05268	1.1
120.08071	1.2
121.06482	2.4
121.97479	0.5
123.04411	100.0
124.02426	0.9
124.04752	2.1
124.93878	0.6
128.04404	0.4
134.99532	0.4
136.06203	0.5
137.02942	12.5
137.05940	2.0
138.03110	0.4
138.05573	0.4
142.03477	18.2
142.96597	0.4
143.03604	0.9
147.04391	16.2
148.04803	0.4
149.04568	0.9
153.04044	0.8
160.04544	6.6
160.95978	0.9
160.97449	0.3
161.01143	0.4
161.04704	0.4
165.05418	2.5
165.06613	0.4
166.05040	0.4
166.07249	6.6
166.08580	0.5
167.05603	1.8
179.02048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.1071
Annotation	Streptazone D
Peak:m/z	Relative Intensity
51.02350	0.4
53.03942	1.0
55.01860	0.9
55.05504	0.4
56.05033	1.3
56.96560	2.4
57.03444	0.3
58.06583	0.8
60.05656	0.3
60.46461	0.3
61.00497	0.3
61.02937	0.3
63.92942	1.6
65.03918	0.4
67.05498	0.5
68.05022	0.8
69.03424	0.8
70.06597	1.5
71.04993	0.5
71.07371	6.0
71.58331	0.4
72.08149	0.8
73.02905	0.4
74.02435	0.6
75.03253	0.4
78.03477	0.3
78.95272	3.7
79.05480	0.6
80.05009	0.5
81.03413	0.5
81.04556	0.3
81.07051	0.5
81.93967	0.4
82.06570	0.7
82.99863	0.3
83.04965	0.7
84.08134	1.0
86.06037	0.4
88.24657	0.3
91.05472	13.9
92.05804	0.4
93.07037	4.5
95.04958	20.6
95.08771	0.3
96.96246	0.5
98.97572	0.4
100.02491	1.6
101.00871	5.2
103.05473	2.9
105.04508	0.7
105.07025	2.1
106.06548	0.3
107.04944	9.7
108.05776	1.8
109.06512	1.3
109.07659	0.7
110.06059	0.4
110.07135	0.4
116.98550	0.4
118.03524	1.7
118.06538	0.5
118.08646	0.6
119.01912	40.2
119.04928	23.6
119.97866	2.3
120.05724	0.7
120.08105	0.3
121.06496	16.0
122.07144	1.7
122.94234	1.8
123.04416	26.4
124.02426	1.0
131.06865	0.7
132.08099	1.1
133.06529	0.4
133.08426	0.8
134.06042	0.7
135.02957	0.4
136.04675	0.6
136.07558	1.3
136.08537	0.3
137.02945	21.7
137.05905	1.7
137.06912	0.3
140.95239	1.1
141.05098	0.4
142.03485	26.6
146.05995	0.7
146.09622	0.6
146.99635	0.3
147.04395	13.4
147.09186	0.3
147.10400	0.4
148.07562	2.8
148.08624	0.4
149.08345	48.7
150.08675	1.7
158.96274	3.5
159.05020	0.7
160.04539	11.5
162.09102	0.6
163.09833	0.6
163.96846	0.5
164.07039	1.8
164.10696	100.0
165.05403	2.2
165.11121	3.6
176.97115	0.3
181.97894	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	164.0706
Annotation	WF 5239
Peak:m/z	Relative Intensity
51.02381	0.2
53.03939	1.9
53.34111	0.1
55.01870	0.2
55.05517	0.5
56.96579	0.2
57.03423	0.1
59.24092	0.1
65.03916	0.6
67.01880	0.1
67.05498	2.7
68.05035	0.2
68.78323	0.1
69.03448	0.2
69.07069	0.2
69.48231	0.5
69.48656	0.5
70.02953	0.3
72.93792	0.1
74.40193	0.1
76.34025	0.1
77.03574	0.1
77.03883	0.5
78.04704	0.1
78.95268	0.1
79.05483	1.7
80.04999	0.6
81.03414	0.7
81.04530	0.1
81.07053	1.8
83.04973	0.2
83.59351	0.1
91.05472	8.3
92.05821	0.3
93.05782	1.4
93.07034	5.3
94.06576	0.7
94.07391	0.2
95.04960	5.6
95.08601	0.5
96.04479	0.2
96.05247	0.1
100.02469	1.1
101.00893	0.4
104.05794	0.2
105.04505	0.9
105.07008	0.9
107.04985	0.1
107.08596	0.4
108.04470	0.5
108.08111	3.9
108.08824	0.2
109.06513	0.6
109.08466	0.1
109.10146	2.0
118.03519	1.1
118.06527	0.4
119.01903	2.7
119.04893	0.6
119.08593	0.7
119.09325	0.1
121.05266	0.2
121.10187	0.2
122.05997	0.7
122.07164	0.2
123.08073	0.2
124.82508	0.1
126.04560	0.2
126.05500	2.8
132.05254	0.2
133.02878	0.1
136.07564	100.0
137.02954	1.3
137.07938	3.5
137.09575	3.4
138.15984	0.1
140.07054	3.9
142.03499	1.8
146.10469	0.2
147.04382	0.8
147.11668	0.2
148.08755	0.1
160.04572	0.7
164.04228	0.5
164.07045	12.1
164.11586	0.3
164.14354	0.4
165.05400	0.2
165.07439	0.4
165.09076	0.6
165.12770	0.9
165.30632	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	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02372	1.3
53.03941	8.2
55.01868	1.3
55.05509	10.5
56.96537	1.0
57.02600	0.8
57.07064	2.5
61.02903	0.7
65.03924	1.8
67.05499	30.1
69.03433	0.9
69.07059	14.3
69.49847	0.7
69.62939	5.3
69.63357	1.4
72.93779	5.7
77.03919	2.1
79.05486	69.1
80.05792	1.4
81.03393	1.8
81.07048	45.5
82.01444	1.1
82.07378	1.5
83.08612	7.9
90.94810	2.1
91.05471	17.6
92.02632	4.0
92.41337	0.9
93.07037	62.6
94.07359	1.6
95.04965	24.5
95.08599	45.6
96.08913	1.6
97.10175	2.4
99.26164	0.9
100.02473	9.9
103.05460	1.1
105.03416	4.6
105.04503	3.7
105.07017	6.6
107.04978	4.3
107.08582	57.1
108.08903	2.3
109.06503	1.9
109.10146	3.4
113.96400	4.1
117.07016	2.8
118.03522	10.5
119.04913	1.3
119.08599	4.3
120.08096	0.9
121.06503	2.8
121.10129	71.0
122.09684	1.4
122.10487	2.0
123.04074	1.4
130.07788	1.1
131.04926	1.8
131.97447	5.5
133.02844	26.7
133.10207	0.8
134.03238	1.3
135.04408	26.2
135.05415	1.9
135.08032	1.9
135.11653	10.1
136.04742	1.7
136.07506	1.3
145.06453	1.0
145.10144	4.7
145.66669	0.9
154.98967	1.2
163.03891	100.0
163.09821	1.8
163.11159	16.0
163.14815	47.8
164.04300	6.1
164.06975	1.3
164.15186	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01583	0.6
51.02369	0.6
53.03697	0.5
53.03940	7.5
55.01852	2.0
55.05505	7.1
55.93517	0.5
56.96556	0.5
57.03411	0.6
57.07055	1.6
61.02925	2.3
65.03920	1.3
66.52993	0.4
67.05497	15.7
67.59934	0.4
69.03437	2.2
69.07060	8.2
71.04984	1.1
71.60282	0.6
71.93016	0.6
72.68425	0.5
72.93778	6.9
73.02895	1.6
77.03905	2.6
79.05485	40.4
80.05032	0.4
80.05819	0.9
80.93068	0.7
81.03426	2.3
81.07048	31.5
81.82162	0.5
82.01428	0.6
82.07369	0.7
83.04935	0.7
83.08610	4.2
85.02899	2.7
90.94812	2.6
91.03944	0.8
91.05470	11.7
92.02622	4.7
93.07034	38.0
94.07357	1.1
95.04958	23.9
95.08592	24.8
96.05273	1.0
96.08932	0.8
97.10164	0.6
100.01839	1.0
100.02469	12.0
103.05463	2.4
105.03384	5.7
105.04490	4.6
105.06367	0.9
105.07018	9.0
106.06551	0.4
107.04951	6.0
107.08582	34.6
108.04489	0.5
108.08904	1.4
108.95879	1.0
109.06487	1.3
109.10129	1.8
113.96402	4.1
115.05448	0.7
117.07000	3.4
118.03511	11.0
119.04911	1.2
119.08549	4.5
121.02845	0.5
121.06498	3.4
121.10129	40.1
121.95707	0.6
122.07106	0.6
122.09653	0.9
122.10465	1.5
123.04059	1.4
128.06175	0.5
130.06487	0.9
130.07745	2.1
131.04890	1.8
131.97420	7.2
132.08086	1.2
133.02835	28.2
133.10098	0.7
134.03192	1.3
135.04404	29.5
135.08041	2.1
135.11671	8.6
136.04736	1.8
136.07568	1.4
138.03101	1.5
139.96710	0.7
141.05037	1.9
145.03960	0.6
145.06451	1.1
145.10109	8.8
146.10492	0.7
154.99016	1.1
163.03886	100.0
163.07471	2.2
163.11165	21.6
163.12323	1.0
163.14807	27.4
164.04306	5.4
164.07030	1.8
164.10551	0.8
164.11668	0.6
164.15257	1.1
165.96175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02371	1.5
53.03946	10.3
53.26141	1.0
55.01623	1.4
55.01869	23.7
55.05503	13.2
56.96559	7.7
57.03433	8.7
57.07074	2.3
59.86608	1.2
65.03922	3.2
67.05166	2.0
67.05501	29.6
69.03424	15.2
69.06700	1.8
69.07059	17.0
70.74223	1.1
70.74560	3.2
71.04985	2.7
72.93793	5.7
77.03914	2.5
79.05486	77.9
80.05801	1.5
80.93066	2.6
81.03419	8.0
81.04514	1.7
81.07051	33.3
83.04987	7.1
83.08606	1.9
85.06573	1.2
89.03911	38.5
90.04187	1.6
90.79958	1.0
90.94849	1.7
91.05475	52.5
92.02639	1.9
93.07037	93.9
95.04963	34.9
95.06070	3.4
95.08592	25.2
96.05291	1.4
97.06528	3.2
97.07631	1.9
100.02464	13.3
101.44199	1.1
103.05457	24.6
105.03377	1.7
105.04533	5.4
105.07020	52.2
107.04945	40.0
107.08585	81.9
108.08932	1.6
109.06514	5.0
109.10181	1.3
112.12778	1.2
113.96402	2.4
115.05437	9.1
116.06197	2.2
116.98599	1.5
117.03370	26.1
117.07004	50.3
118.03521	9.1
118.07320	1.5
119.04928	3.1
119.08566	28.7
120.05675	1.5
120.08961	1.2
121.06506	27.7
121.10133	32.1
122.07138	3.5
122.09670	1.8
123.08036	1.5
125.45277	1.2
128.06209	2.3
129.06978	1.7
130.06516	2.3
130.07765	15.6
131.04912	21.1
131.97391	3.4
132.08098	2.4
133.02837	10.8
133.06480	2.7
133.10141	7.0
134.07179	2.4
135.04410	58.4
135.08038	16.7
135.11682	34.8
136.04720	2.7
136.07576	2.4
139.96756	1.7
143.08543	4.1
145.02844	18.7
145.06465	3.6
145.10110	63.4
146.03220	1.6
146.10478	2.5
148.08791	2.8
150.06221	2.1
163.03889	100.0
163.07504	15.5
163.09845	5.0
163.11154	96.5
163.14827	9.0
164.04239	3.7
164.07007	3.5
164.11595	2.7
183.03297	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	163.1117
Annotation	Caudoxirene
Peak:m/z	Relative Intensity
51.02370	1.4
52.70198	0.7
53.03746	0.7
53.03948	8.8
55.01868	12.2
55.05507	5.3
56.96554	1.6
57.03431	3.6
57.07069	0.9
65.03925	1.4
67.05502	11.7
69.03421	3.3
69.07069	5.8
70.74048	1.2
70.74377	0.8
71.04980	1.4
72.93788	4.8
77.03908	2.7
77.92622	0.7
79.05489	39.6
80.05809	1.8
80.93097	1.2
81.03416	3.4
81.07046	13.7
82.01417	1.1
83.04987	3.4
89.03928	1.4
90.94811	1.4
91.05473	23.5
92.02624	4.0
92.05772	0.9
93.07038	36.5
94.07339	1.0
95.04964	29.1
95.08588	10.0
97.06539	1.5
100.02472	8.4
103.05473	4.3
105.03389	6.3
105.04490	4.8
105.07024	19.9
106.69474	0.7
107.04952	15.0
107.08588	25.4
108.08105	0.8
109.06509	2.9
113.96386	4.7
115.05434	2.9
116.06224	1.1
117.03321	1.0
117.07010	21.5
118.03519	8.1
118.07372	1.1
119.08570	10.9
120.02122	0.8
121.06503	10.3
121.10144	8.4
122.09647	1.5
123.04059	0.7
128.06229	0.8
129.06995	1.1
130.06749	1.0
130.07790	6.8
131.04955	1.4
131.97443	3.4
132.08080	1.3
133.02844	27.3
133.10118	2.1
134.03146	1.4
134.07217	0.9
135.04411	30.1
135.08032	5.9
135.11676	13.0
136.04707	0.9
136.12018	0.9
138.03159	1.8
139.96770	1.3
141.05096	0.8
143.08607	1.6
145.06523	1.3
145.10112	26.3
146.10487	1.5
148.08833	0.9
163.03900	100.0
163.07487	3.6
163.11174	38.7
163.14845	2.3
164.04329	4.3
164.07124	2.0
164.11601	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	163.0389
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
50.01593	0.5
51.02380	0.9
53.03944	6.6
54.03449	0.2
55.01873	1.0
55.05503	0.8
57.03411	0.2
65.03934	0.4
65.45514	0.2
67.05502	0.4
68.05009	0.2
68.99816	0.2
69.03425	1.1
69.07050	0.9
70.29871	0.2
70.84408	0.3
70.84753	0.5
77.03902	1.8
77.04253	0.2
78.56435	0.2
79.05486	9.1
80.05820	0.3
81.03410	1.2
81.04530	0.5
81.07047	1.4
83.04991	0.3
83.06123	0.2
83.08556	0.2
85.02904	0.4
89.03908	2.6
91.05475	3.6
92.02616	4.3
93.07032	3.6
95.04961	19.5
95.06073	0.9
95.08609	0.7
96.05294	0.5
96.06871	0.3
97.07661	0.3
100.02511	0.2
103.05462	7.1
105.03389	4.6
105.04491	3.7
105.07016	2.1
107.04950	3.3
107.06073	0.3
107.08579	5.3
108.05605	0.6
109.06509	0.4
109.07607	0.4
115.05440	0.8
117.03361	1.5
117.07005	1.9
119.04955	0.6
119.06046	0.3
119.08579	1.3
119.94250	0.2
120.02103	0.3
120.05574	0.2
121.06509	1.2
121.10134	2.9
122.07130	1.3
123.07961	0.4
129.07034	0.3
130.07764	0.8
131.04916	8.6
132.05264	0.3
132.08115	0.3
133.02838	26.4
134.03175	0.7
135.04404	29.9
135.08015	1.8
135.11678	1.9
136.04762	1.2
136.07582	0.7
136.08699	0.8
138.03075	1.4
143.08495	0.3
145.02837	1.1
145.03908	0.4
145.06462	0.7
145.10112	3.4
146.02405	0.2
146.07076	0.3
148.05141	0.2
163.03886	100.0
163.07509	3.5
163.09787	2.3
163.11165	7.5
163.12491	0.6
163.14807	0.9
164.04239	3.7
164.07005	0.3
164.08237	0.3
164.11575	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	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.01565	0.5
53.00301	0.5
53.03939	2.4
55.01844	0.5
55.31297	0.4
63.02367	1.8
64.03977	0.4
65.03940	0.5
67.05480	0.6
68.05000	0.6
69.03423	0.7
69.07056	0.6
70.06577	0.5
71.04984	0.5
71.18122	0.6
71.18474	1.1
79.05054	0.8
79.05486	12.4
79.89557	0.4
80.93066	0.6
81.04515	0.7
81.07049	0.8
82.05329	0.6
83.06105	0.9
84.08119	0.8
85.13394	0.5
89.03905	71.4
90.04254	2.3
91.05477	4.0
93.07027	2.0
95.04948	5.7
95.06026	1.1
98.97563	0.6
100.02477	0.6
103.05446	5.3
105.04514	1.0
105.07027	1.7
107.04942	18.4
107.06053	1.1
107.08578	2.2
108.05575	1.2
109.07609	0.8
117.03364	51.7
117.07010	1.6
118.03693	1.5
119.04926	2.5
119.08562	1.0
120.05544	0.7
121.00804	0.5
121.06484	1.2
121.10142	1.4
122.06088	0.6
122.07150	2.1
123.07934	1.4
131.04921	4.8
133.02852	0.9
135.04398	100.0
135.08023	2.2
135.11665	1.2
136.04723	2.9
136.07701	0.6
136.08679	1.8
139.01842	0.6
145.02826	38.5
145.03856	1.6
145.10101	1.4
146.03265	1.0
146.07126	1.2
160.08078	1.2
163.03880	86.6
163.07475	3.3
163.09770	4.1
163.11133	2.6
163.12300	0.6
164.04291	3.1
181.02924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1124
Annotation	L-Carnitine
Peak:m/z	Relative Intensity
50.83143	0.5
54.56261	0.6
55.01860	1.9
55.05501	0.8
56.96544	0.7
57.03437	5.6
58.06589	3.5
59.07362	1.8
60.08160	49.6
61.02907	1.9
62.93251	0.6
64.44062	0.7
69.03402	1.9
70.06570	0.5
71.04972	1.4
73.02906	2.1
81.03420	0.8
84.08130	0.9
85.02899	28.5
87.04461	1.8
95.04885	0.6
97.02886	1.6
98.06048	3.7
98.97571	1.0
102.09174	21.0
102.52429	0.5
103.00648	1.0
103.03935	60.3
112.02814	0.7
112.85239	0.6
115.02439	0.8
116.07108	0.6
118.08645	9.6
119.01909	3.7
120.01999	4.8
121.01642	3.6
121.04890	0.6
126.09122	0.6
131.01875	1.0
133.03458	1.4
134.03575	2.0
135.03192	1.6
137.02913	1.0
138.03065	2.7
139.02681	0.8
157.03503	3.1
158.03647	0.6
160.05183	0.6
161.02924	1.2
162.11243	100.0
163.03941	0.7
163.08665	0.7
163.11562	2.2
170.89809	0.6
175.04507	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	162.0549
Annotation	Jineol
Peak:m/z	Relative Intensity
50.00341	0.2
52.37802	0.2
53.03941	0.4
53.18486	0.2
54.03471	0.4
55.01852	0.8
55.05497	1.0
56.05033	1.4
56.96291	0.3
56.96562	6.1
57.03416	0.9
58.06594	2.3
58.54027	0.2
58.99565	1.2
59.04994	1.7
59.06116	0.4
60.04511	0.9
60.08168	1.1
60.95837	0.5
61.01130	0.4
61.02926	0.4
61.92847	0.6
62.06075	0.3
62.61969	0.2
65.03914	0.5
66.16499	0.2
67.05503	0.4
68.05014	0.7
68.44781	0.3
68.99786	0.3
69.03421	1.2
69.07053	0.3
70.06584	4.6
70.92272	0.2
71.04986	1.1
71.58875	0.3
72.04494	0.6
72.08136	1.0
72.93774	0.4
73.02897	0.4
74.06061	0.9
74.97585	0.3
77.00784	0.8
79.05480	1.7
80.05002	0.5
81.03397	0.7
81.04542	0.4
81.07054	0.4
82.01807	0.2
82.06519	0.3
83.04955	0.4
83.06090	0.4
84.04510	1.9
84.08126	1.0
84.96027	0.4
85.02896	2.3
85.07682	0.2
86.06051	1.0
86.99007	0.5
87.04456	0.4
87.05568	0.2
88.01767	0.4
88.04002	0.2
88.07613	0.9
89.03908	3.4
90.94798	0.3
91.00508	0.2
91.02345	0.4
91.05463	1.1
92.05003	0.4
93.04527	0.3
93.07049	0.4
94.06561	1.0
95.04957	1.0
95.06065	0.6
96.04510	0.4
97.01727	0.4
97.02329	4.2
97.02900	0.5
98.06059	2.1
98.09631	0.2
98.97578	1.3
99.04445	0.3
100.07601	3.2
100.11238	0.9
102.05529	2.1
102.09168	0.8
102.96845	0.8
103.03938	1.7
103.05457	0.9
105.03388	0.2
105.04477	0.3
105.07012	0.7
106.02844	11.4
106.06548	1.2
106.07367	0.3
106.52145	0.2
106.53004	0.8
107.04933	2.0
107.06035	0.5
107.08554	0.4
108.53100	0.3
112.01015	0.6
112.07589	1.2
112.99126	0.7
115.00671	0.2
115.03355	7.4
115.53506	0.3
116.01667	1.0
116.04973	3.9
116.07063	1.1
116.98605	0.8
117.03350	1.5
117.05724	0.6
117.07053	0.3
117.53636	0.7
118.03493	0.4
118.06544	0.6
118.08613	0.6
119.01905	1.3
120.02045	2.5
120.02883	0.3
120.04458	3.9
120.05379	0.4
120.05624	0.3
120.06551	0.6
120.08059	0.8
120.96515	2.0
120.97843	1.3
121.01664	2.3
121.02808	0.5
122.07098	0.7
123.07909	0.2
126.05499	0.3
126.54136	0.8
128.10738	0.3
128.98576	0.4
130.06560	1.4
131.00159	1.8
131.04919	0.6
132.02559	0.6
132.08086	2.1
133.01733	0.4
133.02765	0.5
133.07608	2.4
134.03613	0.3
134.06023	2.7
134.07011	0.4
134.99655	1.1
135.04419	3.6
135.09163	0.2
136.06178	0.3
136.08655	0.6
137.02921	0.5
138.03108	2.0
138.98932	2.9
139.01790	0.7
139.02686	1.1
141.03059	0.9
144.03271	0.9
144.04443	1.4
144.06552	0.8
144.10147	0.3
145.01779	0.4
145.02824	1.0
145.03903	0.5
145.06532	0.5
145.07565	2.1
145.09715	0.3
146.08272	0.2
146.99608	0.4
147.04381	0.3
149.01205	3.3
154.01730	0.3
156.96228	1.0
157.00040	0.7
158.01213	0.7
158.04689	0.5
162.05490	100.0
162.11272	3.4
162.14879	0.4
162.99168	0.2
163.02773	0.3
163.03894	5.2
163.05963	2.6
163.08652	14.9
163.09712	0.6
163.12296	1.1
167.02242	0.7
176.02258	0.5
180.04260	0.4
181.02856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
54.69127	0.3
55.01864	4.0
55.05505	4.2
56.05027	5.0
56.96557	31.8
57.03427	5.6
58.06598	1.8
58.99573	0.8
59.04990	3.2
60.04506	0.5
60.08156	13.4
60.95829	0.8
61.02910	2.8
61.35398	0.3
65.21942	0.3
68.00264	1.6
68.05041	0.7
69.03416	3.3
69.40945	0.4
69.57362	0.4
70.06583	4.2
70.54661	0.6
70.55016	1.2
70.98109	0.5
71.01341	0.6
71.04984	8.6
71.95251	0.6
72.08146	0.7
73.02897	3.9
73.06558	0.9
74.06072	2.3
74.97603	2.2
77.00774	6.3
79.01257	1.1
79.05449	0.5
81.03386	0.8
81.07053	0.4
82.01797	0.8
83.00757	0.7
83.04971	4.6
83.08611	0.7
84.01555	1.2
84.04493	18.3
84.08115	1.3
84.96017	0.5
85.02892	11.2
85.04827	0.5
86.01295	2.3
86.06055	1.3
87.04462	0.7
88.01765	5.5
88.07586	0.7
88.51524	0.5
88.51995	0.5
89.00785	0.8
89.03416	0.5
89.03922	1.6
91.00511	1.1
91.02323	1.7
92.01292	1.1
93.01991	0.4
95.04960	0.5
97.02316	43.0
97.52506	2.9
98.01288	0.6
98.06042	17.5
98.09673	1.3
98.52845	0.7
98.97570	12.1
99.01975	0.6
99.04449	1.0
100.01032	1.2
100.03963	0.7
100.07590	3.3
100.99120	0.7
101.00861	0.7
101.06005	1.2
102.05556	2.2
102.09164	6.3
102.96923	0.8
103.00512	1.7
103.02332	0.7
103.03928	16.9
104.01293	1.8
104.03101	0.5
105.02022	0.6
105.07022	0.5
106.02837	100.0
106.53018	6.3
107.03108	1.0
107.04956	1.2
108.02522	0.4
108.04446	0.5
108.53106	2.0
109.03284	0.4
110.01286	0.6
110.03976	0.5
110.97504	0.6
111.00225	0.4
111.02855	0.4
111.52973	0.5
111.53637	0.8
112.01022	5.1
112.02836	1.0
112.98297	0.4
112.98423	0.2
112.99118	11.1
113.01756	1.0
113.03590	1.2
115.00686	1.5
115.03352	66.3
115.53524	4.2
116.01650	0.7
116.03316	0.8
116.07074	10.8
116.10742	2.4
116.98602	8.0
117.02031	0.8
117.03320	0.8
117.53614	4.8
118.01020	0.4
118.02827	0.7
118.06506	0.4
118.08618	0.6
119.00144	0.5
119.01859	3.0
120.01957	1.9
120.06548	1.1
120.08086	0.6
120.97875	1.0
121.01567	4.7
121.03389	0.7
123.02011	0.5
124.02898	0.7
124.03836	1.1
125.03611	0.8
125.04485	0.4
125.54623	0.5
126.02572	0.8
126.04323	0.5
126.09129	1.2
126.54127	3.4
127.00666	1.1
128.02283	0.5
128.98595	0.8
130.04967	1.7
130.06517	0.5
130.52583	0.4
131.00154	26.2
131.01767	0.7
131.03566	0.4
132.00540	0.5
132.02582	3.5
132.08072	0.6
133.01704	3.2
133.03429	4.4
134.03590	1.7
134.05974	1.1
134.08034	0.5
134.99615	3.2
135.03256	2.0
135.04309	2.0
137.02916	0.5
138.98932	1.0
141.03078	6.6
141.53238	0.6
142.02046	0.5
142.03857	0.5
143.00139	0.7
144.06544	3.2
144.10207	0.6
144.98059	1.0
145.01768	2.9
145.02759	0.7
145.04924	1.3
146.03508	0.5
146.99600	1.3
147.03229	0.5
149.01198	23.5
150.01537	1.1
150.03621	0.8
151.02708	0.8
151.04507	0.7
152.04622	0.8
152.53937	0.8
153.00618	0.6
153.04291	0.6
154.01768	0.7
157.01755	0.9
157.03430	0.6
158.99586	0.4
159.04973	1.0
160.05127	0.8
161.01212	0.6
161.02856	0.5
161.04694	0.8
162.03117	0.6
162.05492	3.2
162.07646	3.6
162.09036	0.8
162.11234	29.9
162.99083	1.1
163.02737	2.3
163.03918	3.3
163.08646	1.0
163.11328	0.4
165.00644	0.6
167.02271	2.6
172.02776	0.7
175.02792	4.2
177.00679	0.4
177.05952	0.4
178.06172	0.5
179.05797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01863	0.2
55.05515	0.2
56.05027	0.4
56.96563	0.6
57.98797	2.7
58.63093	0.1
58.99580	100.0
59.99502	0.2
59.99907	0.7
60.04510	0.2
61.01143	2.5
61.28803	0.2
61.92854	0.2
63.02384	0.2
65.43599	0.1
67.05476	0.2
68.05018	0.3
68.99801	0.2
69.03407	0.3
69.47974	0.4
69.48381	1.1
70.06581	0.3
73.01136	4.9
74.06062	0.2
76.03996	9.1
77.00631	0.2
79.05486	1.6
81.03410	0.2
81.04567	0.2
82.06586	0.2
84.04504	0.8
84.08118	0.2
86.99045	50.7
87.99396	0.5
88.02206	13.1
89.03906	6.0
91.05463	0.7
93.07036	0.3
94.06522	0.2
95.04951	0.7
98.06052	0.2
100.02186	0.6
101.39555	0.2
102.05519	0.3
102.96837	0.3
103.05469	1.4
105.00082	0.5
105.03415	0.2
105.04488	0.2
105.07026	0.6
106.06554	0.3
106.07318	0.3
107.04935	2.1
107.06074	0.3
107.08600	0.3
108.05585	0.3
111.05630	0.2
116.01664	83.7
117.02113	1.1
117.03362	4.2
117.07033	0.2
118.06544	0.3
119.06057	0.3
119.08559	0.3
120.04456	0.2
120.05643	0.2
120.96533	0.3
120.97837	0.2
122.07109	0.4
123.07919	0.2
131.04907	1.2
132.08022	0.2
133.02855	0.4
134.03629	0.4
134.05975	1.0
134.06915	0.3
135.04405	8.7
135.07986	0.5
136.08656	0.3
138.98938	0.6
139.01813	0.5
144.01131	7.8
144.04330	0.3
145.01717	0.3
145.02840	3.5
145.03923	0.1
145.06447	0.4
145.08453	0.2
148.71254	0.2
157.00020	0.2
162.02191	3.0
162.05467	2.7
162.06592	0.1
162.09067	0.7
162.10176	0.4
163.03893	8.4
163.07506	0.7
163.09781	0.6
163.11143	0.7
167.72917	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	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14606	0.2
53.03937	0.4
55.01860	0.8
55.05496	0.6
56.96552	0.8
57.69100	0.2
60.95847	0.2
61.92862	0.3
64.07732	0.2
64.37011	0.2
67.05471	0.5
67.96445	0.2
69.03425	7.9
69.07066	0.3
70.94260	0.3
71.42962	0.4
75.60046	0.2
78.93121	2.1
79.05494	1.3
81.07043	0.5
91.05474	4.2
93.07036	1.3
95.04962	0.6
96.94151	0.6
103.04774	0.2
103.05472	0.7
105.03381	0.4
105.07027	14.6
106.06612	0.2
106.07365	0.5
107.04922	0.3
107.08594	0.4
109.06503	0.5
115.05422	1.6
117.07016	1.1
118.07818	0.4
119.04934	0.5
119.08574	2.7
119.95725	1.3
121.06445	1.1
128.06221	5.3
131.04933	1.3
131.08591	1.0
132.05724	1.3
133.06488	2.5
133.10123	5.9
134.04913	0.2
134.06032	0.3
134.07076	0.3
134.10490	0.3
137.96785	1.4
141.06998	0.3
143.08551	6.6
143.09685	0.4
144.08917	0.3
145.06462	3.9
146.07249	4.8
155.06073	0.3
159.08057	5.4
161.09607	100.0
161.13176	2.0
162.05475	0.9
162.09956	5.2
180.04446	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01878	0.7
55.05506	1.5
55.42749	0.3
56.96555	0.6
65.03932	0.3
67.05511	2.3
69.03425	10.5
69.07055	1.5
69.97570	0.4
71.18270	0.8
78.93140	2.8
79.05486	4.8
81.03427	0.5
81.07053	6.0
91.05476	13.2
93.07040	6.4
95.04960	1.0
95.08614	1.2
96.94163	1.6
103.05450	1.5
105.07026	56.2
106.06658	0.6
106.07293	1.7
107.04950	3.0
107.08577	0.9
115.05472	1.7
116.06263	0.7
117.07014	3.7
118.04176	0.4
119.04958	0.7
119.08576	22.3
119.95695	2.1
120.08891	0.5
120.96490	0.7
121.06498	16.5
122.06825	0.6
128.06212	8.8
129.06621	0.4
131.04912	3.1
131.08562	2.7
132.05762	1.8
133.06511	3.2
133.10124	31.6
134.06013	1.0
134.10469	1.2
137.96814	1.9
141.07008	0.6
143.04991	0.5
143.08556	11.9
143.09686	0.7
144.08067	1.6
145.06468	4.1
146.07262	25.9
147.07605	1.3
159.08069	1.0
159.11716	0.5
160.98421	0.4
161.06070	2.1
161.09610	100.0
161.13239	19.2
162.05457	2.3
162.10010	4.6
162.13594	0.7
180.04407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.32349	0.2
51.02385	0.2
53.03949	0.4
55.01870	0.2
55.05509	5.6
58.99586	0.2
60.98906	0.2
60.99242	0.1
62.06068	0.2
65.03922	0.2
67.05505	0.4
69.07069	3.1
69.60013	1.3
79.05495	2.1
81.07051	1.2
91.05480	7.9
93.07054	1.8
95.04977	0.5
95.08597	0.2
103.05447	1.5
104.06256	0.4
105.03412	0.3
105.07027	17.2
106.07343	0.5
107.04957	0.2
107.08587	1.4
109.06522	0.2
115.05434	0.9
117.07018	3.4
118.04247	0.2
118.07763	0.3
119.08576	100.0
120.05640	0.2
120.08875	3.1
121.06417	0.6
121.10145	2.9
123.08003	0.2
128.06184	0.2
128.49123	0.2
130.07787	0.2
131.08582	2.7
132.09315	0.2
133.06502	0.8
133.10124	19.8
134.05991	0.3
134.10471	0.7
143.08585	0.4
144.09286	0.2
145.10175	0.3
146.07254	0.4
146.10898	1.0
158.12660	0.2
159.11726	1.0
161.06039	0.9
161.07071	0.2
161.08183	0.5
161.09619	2.3
161.13252	20.4
162.05519	0.6
162.13617	0.7
172.31714	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15844	0.4
53.03949	0.7
55.01857	1.0
55.05500	1.4
56.96556	0.7
56.98555	0.4
61.92873	0.5
67.05488	1.7
69.03421	4.8
69.07045	0.7
78.93117	2.7
79.05477	3.2
81.07043	2.2
91.05474	8.1
92.55003	0.4
93.07036	3.7
95.04942	1.2
95.08590	0.7
96.94168	1.0
103.05438	1.4
105.03363	0.8
105.07021	41.8
106.06557	0.8
106.07329	1.2
107.04933	2.4
113.55718	0.4
114.95132	0.6
115.05421	1.6
117.06987	2.7
119.04940	0.8
119.08568	10.0
119.95721	2.3
120.96526	1.0
121.05640	0.8
121.06496	15.5
128.06213	5.6
131.04915	2.9
131.08565	2.1
132.05688	1.8
133.06508	3.9
133.10120	25.0
134.05978	0.7
134.06975	0.6
134.10439	1.3
137.96762	2.7
143.08545	6.1
145.06520	3.3
146.07253	26.6
147.07617	0.8
159.08054	1.4
161.06053	2.2
161.09607	100.0
161.13223	7.0
162.05452	2.5
162.07820	0.5
162.10034	4.2
180.04379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02365	0.6
53.03943	2.2
55.01868	4.9
55.05497	1.4
56.05029	0.7
56.96557	3.3
57.07085	0.3
58.99564	0.8
59.06099	0.4
60.04517	0.6
61.92858	0.4
65.03925	0.8
66.04709	0.8
67.05496	1.2
68.05002	0.8
69.03411	0.6
69.07051	1.2
70.06590	0.6
71.18721	0.3
71.59112	0.6
72.93787	0.5
74.06071	0.4
76.04012	0.3
77.03916	0.4
78.93131	2.5
79.02982	0.3
79.05485	20.0
80.05025	0.4
80.05820	0.5
81.03409	0.5
81.04533	0.5
81.07043	2.5
83.04974	0.5
84.04489	1.2
84.08143	0.9
85.02911	0.8
86.99047	0.4
89.03831	0.5
90.04702	0.8
91.05474	11.0
92.02625	0.5
93.04508	1.4
93.07019	1.8
95.04958	5.6
95.08564	0.7
96.94156	1.0
97.02889	0.4
97.07585	0.5
98.06059	0.4
102.04703	0.5
103.05460	20.3
105.03402	0.8
105.04516	1.3
105.07021	100.0
106.06598	0.5
106.07352	3.2
107.04967	1.7
107.06069	0.8
107.08580	0.8
114.95196	0.4
115.05444	23.8
116.01698	0.5
116.03075	0.6
116.05724	0.9
116.98642	0.5
117.07066	2.2
118.04148	8.2
118.06548	0.8
119.01879	1.0
119.03551	1.3
119.04977	0.4
119.06145	0.5
119.06873	0.7
119.08570	15.0
119.95710	1.5
120.05611	1.8
120.08115	0.4
120.96498	0.8
121.06400	4.8
121.08881	0.4
121.10170	0.5
128.06212	1.9
130.04144	0.3
130.46042	0.3
131.04944	3.4
131.08574	1.9
132.05688	1.2
133.06483	40.9
133.10106	10.4
134.05972	1.3
134.07062	3.8
137.04564	0.6
137.96742	2.4
138.98940	0.6
143.04988	0.5
143.06029	3.9
143.08553	2.3
144.04430	0.5
144.05505	0.6
144.08064	2.8
145.06494	0.5
146.03613	1.2
146.07283	2.4
146.10930	0.3
147.04398	1.0
158.17609	0.3
159.11699	0.4
161.06053	10.5
161.08162	3.5
161.09621	12.7
161.10942	0.8
161.13257	10.3
162.04112	1.3
162.05515	2.5
162.06412	0.4
162.06688	0.6
162.08994	0.4
162.10153	0.5
183.13550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
56.05012	0.1
56.96570	0.3
59.06118	0.5
59.93100	0.3
60.04511	0.3
65.03922	0.7
69.00900	0.1
69.64022	0.7
70.06594	0.3
72.44833	0.1
73.08470	0.1
74.06096	0.1
75.05633	0.1
76.93369	0.1
77.93375	0.2
78.93128	0.1
82.75201	0.1
84.04504	0.2
85.07636	0.1
85.46973	0.1
90.03434	0.5
91.05492	0.3
92.05000	2.9
97.02916	0.1
99.97958	0.1
101.07144	0.2
102.05581	0.1
102.59400	0.1
105.04511	2.7
105.07027	0.8
112.05082	0.2
114.05504	0.1
115.05450	0.4
117.05769	0.3
118.06543	1.7
118.08625	0.2
118.96746	1.2
119.06063	0.2
119.08564	0.2
119.95705	0.2
121.06352	0.1
130.06505	0.3
131.07333	0.2
132.05566	15.0
132.08035	0.9
133.05858	0.2
133.10114	0.2
135.05518	2.1
137.96783	0.1
142.08578	0.2
150.95792	0.1
154.96465	0.5
160.05051	100.0
161.05421	3.6
161.08215	0.1
161.09517	0.2
161.13263	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	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11484	0.1
56.96559	0.7
58.99861	0.3
60.04481	0.2
60.95822	0.3
70.00068	0.7
79.64013	0.1
82.99804	0.7
91.05489	0.1
98.06046	0.2
98.20833	0.1
98.97567	0.7
100.97175	0.2
100.98013	0.2
101.00860	9.5
102.00917	0.7
102.96857	0.9
105.07050	0.4
109.13410	0.1
116.05724	0.1
116.98601	0.9
117.12679	0.1
118.03490	0.9
118.82736	0.1
118.83548	0.1
119.01907	100.0
119.96870	0.2
119.98132	0.2
120.01999	7.8
120.97907	1.2
121.01649	1.5
121.02372	0.4
121.06408	0.2
124.02403	0.2
126.73870	0.1
133.03459	0.3
133.06482	0.2
133.10100	0.2
133.98094	0.3
134.07175	0.2
134.99673	0.7
136.04547	0.5
137.02943	57.1
138.03043	4.4
138.04243	0.3
138.98903	0.9
139.02658	0.5
139.03532	0.2
141.42035	0.1
142.03473	2.4
143.03650	2.9
144.03146	0.9
144.08035	0.3
153.00699	0.4
157.03459	0.3
157.66368	0.1
160.04538	1.0
161.02928	3.0
161.04591	3.4
161.08168	0.2
161.09427	0.3
162.03062	0.2
162.04242	1.2
179.03992	5.2
179.05583	1.6
180.04022	0.3
180.05385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05499	0.7
56.05013	0.4
56.96555	1.1
57.03427	0.5
58.06606	0.5
59.93098	1.6
65.03928	0.6
67.05492	2.1
70.06572	0.4
71.59867	0.6
73.95679	0.4
74.71407	0.3
76.93362	9.4
77.93357	0.5
79.05481	1.0
81.07047	0.4
87.00805	1.2
91.05476	6.0
94.94381	2.4
98.06026	0.4
98.97569	1.4
103.03271	0.4
103.05460	0.6
105.01876	0.4
105.07023	21.8
106.07318	0.7
108.22849	0.3
115.05435	2.6
116.06214	1.6
116.98627	2.6
117.01831	1.0
117.07013	13.3
117.95972	7.4
118.06516	0.9
118.96748	2.5
119.08571	9.9
128.06189	1.3
129.06989	12.5
130.06502	0.6
130.07761	4.7
131.04941	0.7
131.08559	33.2
132.08047	1.3
132.08896	1.4
134.99637	2.1
135.97003	4.6
141.01826	0.6
141.06949	0.5
141.62627	0.4
142.06647	0.5
142.07718	2.4
143.08591	1.8
144.09331	27.2
145.09698	1.2
150.29247	0.4
153.00742	0.4
153.96721	0.6
154.96457	0.8
156.65092	0.4
157.10129	5.0
159.08205	2.4
159.11676	100.0
160.05054	1.1
160.07521	0.8
160.12039	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	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03956	0.5
54.04252	0.3
55.05515	1.0
56.96565	4.7
57.03448	0.6
57.07053	0.4
59.93109	1.4
65.03928	0.3
67.05492	3.3
70.06617	0.3
70.72649	0.6
70.73052	0.6
76.93361	14.8
77.93388	0.5
79.05480	2.5
81.07069	1.5
84.47937	0.3
85.81911	0.3
91.05470	19.6
92.05853	0.5
93.07050	1.3
94.94400	4.2
95.04948	0.6
98.97571	1.8
103.05460	1.3
104.03108	0.4
105.07019	23.7
105.87384	0.3
106.07378	0.9
112.95442	0.7
115.05441	6.7
116.06257	3.5
116.98645	1.0
117.07007	36.9
117.95119	0.5
117.95974	10.8
118.06522	1.2
118.07364	1.2
118.96767	2.6
119.08575	11.4
128.06181	1.7
129.06990	22.3
130.07779	22.1
131.08554	89.9
132.08054	0.6
132.08905	3.8
134.99651	1.3
135.55815	0.7
135.97003	9.0
135.98006	0.7
136.97083	0.5
141.01782	0.6
141.07011	0.4
142.07762	2.8
143.08569	1.9
144.09331	23.5
144.56323	0.3
145.09666	1.4
153.98015	0.3
154.96510	0.4
157.10121	3.6
158.10432	0.4
158.98633	0.7
159.08215	1.7
159.11673	100.0
160.06255	0.4
160.07512	1.5
160.09822	0.5
160.12022	5.3
164.04150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05499	0.6
56.96296	0.6
56.96563	11.5
57.03406	0.5
59.93102	1.9
62.26493	0.4
65.03920	0.8
67.05173	0.4
67.05498	5.0
69.88319	2.1
74.97593	0.9
76.78809	0.3
76.92860	2.3
76.93359	17.4
76.93813	0.9
77.94146	0.5
79.05483	2.6
81.03386	0.3
81.07056	5.2
91.05476	7.8
91.96730	0.4
93.07027	2.5
94.94408	6.2
95.02586	0.5
95.04960	0.6
95.08604	0.7
98.20718	0.4
103.05441	0.5
104.03110	2.1
105.07023	24.3
106.07323	0.7
107.08543	0.6
112.95432	1.4
113.03594	0.4
115.05439	2.9
116.06200	1.2
116.97236	0.4
116.98632	0.9
117.07011	15.6
117.95971	14.0
118.06515	1.2
118.07298	0.7
118.95982	0.5
118.96748	4.2
119.07787	0.7
119.08575	8.4
122.70382	0.4
128.06223	0.6
129.07001	11.4
129.68759	0.4
130.06476	1.1
130.07764	7.1
131.08559	38.6
132.08049	1.5
132.08911	1.6
133.10139	0.5
134.99654	1.1
135.11656	0.8
135.97002	13.2
135.99936	0.4
136.97008	0.6
141.01823	0.7
141.07513	3.3
142.06602	0.5
142.07758	1.5
143.08507	1.4
144.09334	20.6
145.09679	1.2
147.03291	2.0
150.07982	2.2
150.95709	0.7
152.58279	0.7
153.08365	0.4
154.96437	0.9
157.10123	5.3
158.98627	2.1
159.03275	0.6
159.11676	100.0
160.06432	0.4
160.07538	2.5
160.09692	0.6
160.12042	4.8
165.04333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1166
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.19053	0.4
51.61154	0.3
51.69027	0.3
53.03960	0.5
55.05511	0.4
56.96556	0.5
57.03437	0.5
59.93108	0.9
60.33130	0.5
60.84859	0.4
65.03932	0.6
65.98906	0.5
67.05509	3.6
69.46552	3.8
70.06589	0.8
71.05003	0.7
74.57767	0.4
76.93362	10.4
79.05487	3.5
81.07040	2.6
84.89320	0.4
85.02920	0.4
86.06079	0.4
87.04453	0.4
91.05466	16.6
92.68607	0.4
93.07036	1.0
94.94400	4.2
95.04963	0.8
95.21667	0.4
97.02867	0.5
98.20730	0.7
98.97543	0.4
103.05426	0.9
105.07023	19.2
106.07307	0.9
112.95473	1.2
113.02394	0.5
114.09167	0.6
115.05442	5.3
116.06254	2.6
116.98608	0.6
117.07006	43.9
117.95967	7.4
118.06528	1.7
118.07370	1.8
118.08598	0.5
118.96770	1.5
119.08569	7.5
120.08922	0.5
128.06187	0.8
129.06987	13.2
129.07898	0.8
130.06622	0.9
130.07776	12.9
131.08554	76.2
132.08049	1.3
132.08904	2.5
134.99677	1.1
135.96994	7.7
135.97974	0.4
141.01830	1.3
141.06960	0.6
142.06499	0.4
142.07761	1.6
143.08522	1.2
144.05710	0.7
144.09335	16.1
145.09682	0.6
157.10132	3.5
158.98627	1.3
159.08076	5.8
159.11674	100.0
160.04970	0.5
160.07446	2.6
160.09694	1.1
160.12039	4.8
167.85912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
51.83685	0.5
52.59068	0.5
53.03936	0.8
55.01833	0.8
55.05512	3.4
56.05029	3.2
56.96293	0.7
56.96564	14.9
57.03432	43.8
57.07071	100.0
58.03751	1.3
58.06595	1.1
58.07386	1.7
59.04986	1.2
59.06121	4.7
59.93106	3.6
60.04522	2.8
61.02921	5.4
65.03927	1.0
67.05500	4.6
68.05025	0.8
69.03411	1.1
69.07050	0.9
69.18972	0.5
70.06568	1.5
71.04974	1.7
71.06093	1.0
71.60286	1.0
71.60661	0.6
71.95249	1.4
72.04498	1.8
72.08154	3.4
72.93796	0.7
73.08510	1.4
73.95670	0.6
74.06052	1.3
76.03986	0.8
76.93362	21.9
77.93385	0.8
77.94122	0.7
79.05479	1.4
81.03397	1.8
81.07059	3.0
83.04964	1.4
83.06076	1.1
84.04480	1.8
84.08136	1.0
85.02880	1.3
85.06537	44.5
86.02446	0.6
86.06049	0.8
86.06856	0.8
86.09679	0.7
86.53970	0.6
87.00809	1.7
87.04469	3.3
87.05570	1.0
88.03967	0.8
91.05476	9.7
92.04986	1.3
93.07034	0.8
94.93823	0.7
94.94404	8.7
95.04944	0.7
95.06075	0.9
95.08597	2.3
95.62754	0.6
96.04482	1.1
96.08091	0.9
98.06008	1.0
98.97579	12.4
99.04434	0.7
99.05558	2.2
99.08068	0.8
99.97870	0.9
100.03961	1.1
100.07594	1.3
101.06019	0.7
101.07921	0.8
102.05528	1.1
103.05441	2.3
103.07574	26.0
105.04498	2.4
105.07025	19.0
106.07344	0.7
109.76029	0.6
111.05534	0.9
112.03917	0.7
112.05084	0.8
112.95439	2.2
113.02332	0.9
113.07118	1.7
114.05480	1.4
114.06690	0.7
114.09175	1.6
115.05456	6.0
116.06226	2.3
116.07008	0.6
116.97255	1.2
116.98611	20.8
117.01817	1.2
117.05833	4.1
117.07036	13.5
117.95974	15.9
117.98916	1.0
118.06541	15.1
118.07328	0.7
118.08627	1.5
118.96117	0.4
118.96758	8.1
119.08582	9.5
121.08577	0.7
123.08018	0.8
125.74788	0.6
128.06172	1.3
129.06993	15.7
130.06580	4.0
130.07756	5.7
131.04903	2.8
131.06958	1.4
131.08560	36.7
131.11774	1.7
132.04436	3.2
132.05547	8.4
132.06531	1.3
132.08072	13.7
132.08899	1.2
134.99660	28.8
135.00748	2.4
135.05513	1.6
135.97003	18.8
135.99983	3.0
136.54425	0.6
140.03383	1.0
141.01845	3.0
141.06790	1.3
142.06488	3.2
142.07715	2.1
142.08705	1.1
143.08472	1.6
144.05640	2.0
144.09346	24.3
145.06453	0.6
145.09656	1.2
150.95641	1.0
152.02231	0.7
153.00690	7.5
153.01846	0.9
153.96689	2.1
154.01007	0.7
154.59030	1.7
154.96436	2.5
157.10139	4.9
158.01221	1.3
158.98637	1.4
159.04366	1.3
159.06458	1.8
159.07983	6.1
159.09137	3.7
159.10155	21.4
159.11674	83.6
159.99759	1.9
160.05057	68.8
160.07521	17.1
160.09653	2.1
160.12024	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	159.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78465	3.2
55.05500	4.6
56.96545	14.0
57.03436	4.1
70.06577	7.7
71.04968	5.3
71.10856	5.0
71.11180	4.6
72.08131	5.9
73.05432	3.2
77.36558	3.3
77.73489	3.1
84.08130	6.5
85.02911	3.3
87.04457	4.6
98.97582	17.2
100.07597	6.1
101.00869	4.2
111.05544	8.9
114.09160	9.1
116.98608	21.4
119.01878	8.3
123.05523	6.2
134.99635	11.0
141.06541	7.3
153.11105	3.3
157.08725	3.6
159.06285	100.0
159.07666	5.8
160.09682	8.5
160.13359	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	159.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01850	3.7
55.05507	5.1
56.96563	43.6
57.03423	6.5
57.93560	2.9
59.93097	5.3
60.08121	2.9
69.03422	3.1
70.06577	8.7
70.94268	4.7
70.94589	3.7
71.01337	3.7
71.04977	7.4
71.95235	6.4
72.08140	4.3
73.95689	2.6
74.06078	2.9
75.04468	3.5
76.93357	8.5
77.83250	2.4
77.94126	2.8
81.03418	5.4
82.06548	6.8
83.04980	7.2
84.08121	5.8
85.02891	5.8
85.40488	2.6
86.06070	3.2
91.05492	2.8
94.94422	3.2
95.04961	3.0
96.08109	4.5
97.02312	3.6
97.02866	3.3
98.01266	4.4
98.03983	2.8
98.97584	35.3
99.04453	3.5
100.07619	19.0
101.00842	9.4
101.06004	5.7
111.05595	4.3
113.07098	2.7
114.03780	17.6
114.05486	5.6
114.09153	9.1
115.02448	3.1
116.97266	4.4
116.98614	45.3
117.01820	5.1
117.95977	4.7
118.06524	5.9
118.08659	4.9
118.96712	15.8
119.01914	40.2
120.02007	4.8
120.05448	2.3
121.01646	3.5
121.03447	2.6
123.05539	3.0
127.00238	3.6
131.01894	4.8
131.04919	2.8
131.08574	3.3
131.11722	2.9
131.12770	2.5
133.03448	8.6
134.99654	38.1
135.03075	3.9
135.97043	4.8
135.99991	3.3
137.02916	12.2
141.01758	6.4
142.03487	11.9
149.01236	3.9
149.94626	2.7
153.00694	8.5
153.96626	2.6
154.96503	7.3
158.99600	2.6
159.05016	16.4
159.06274	100.0
159.11694	3.9
160.04465	9.3
160.09668	14.0
160.13275	3.7
172.97530	3.3
177.00708	6.4
177.06073	4.8
178.05620	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	159.0916
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
50.50084	0.5
51.26647	0.4
52.87824	0.4
54.31969	0.4
55.01880	0.9
55.05505	3.1
56.05033	5.2
56.96559	18.5
57.03451	1.5
57.07090	0.7
57.93583	1.8
58.02969	0.9
58.06608	1.1
59.06116	5.1
59.93107	7.2
60.04523	4.2
60.95860	0.7
61.02934	0.6
67.05540	0.7
67.64541	0.5
68.05042	2.1
69.03476	1.0
69.04552	0.6
69.07063	0.7
70.06606	2.1
70.99049	1.3
71.01340	0.5
71.05011	0.8
71.06116	1.1
71.95255	2.8
72.04530	2.2
72.08150	3.1
72.93794	1.6
73.95695	1.9
74.06088	1.3
74.97594	0.5
75.05610	0.8
75.93608	1.1
75.94592	0.5
76.04008	1.7
76.93361	12.0
77.94144	3.2
79.05510	0.8
81.03423	1.4
81.04539	0.6
83.04971	0.7
83.06124	1.4
84.04498	4.2
84.08157	0.8
85.02925	1.8
85.04018	0.8
85.05293	0.6
85.07672	1.2
86.02471	0.7
86.06071	2.3
86.09717	1.0
87.04482	0.8
87.05575	2.4
88.04005	0.7
90.94820	0.8
91.05480	2.6
91.96729	0.9
94.06567	0.9
94.94402	4.1
95.06051	3.4
95.95195	2.0
96.04497	1.9
96.08106	1.0
97.02924	0.6
97.06554	1.2
97.07668	0.9
98.06081	1.4
98.97576	22.9
99.04456	0.8
99.05579	3.0
99.97926	1.3
100.03978	2.0
100.07651	0.5
101.07107	0.9
102.05541	1.9
102.97063	0.6
103.05496	1.0
105.07019	2.7
111.05592	1.5
112.95438	1.0
113.02380	0.8
113.07159	3.2
113.96352	0.5
114.05509	1.6
114.09162	3.0
114.98270	0.6
115.05450	31.8
116.05024	1.0
116.05762	0.9
116.97237	2.7
116.98607	40.9
117.01919	0.9
117.05764	17.3
117.06616	1.8
117.07069	0.9
117.95976	7.7
117.97617	1.2
117.98990	1.9
118.05189	0.6
118.06545	12.1
118.08675	0.8
118.96755	24.5
119.01906	2.7
123.05593	1.0
124.07627	0.6
125.07116	0.8
129.06984	0.6
130.06514	28.4
131.00157	0.4
131.04944	1.4
131.05952	0.7
131.06824	5.5
131.08546	2.3
131.11830	0.5
131.97408	0.8
132.08076	100.0
133.08426	2.2
133.99086	1.7
134.01276	0.9
134.99644	57.9
135.95535	0.6
135.96031	0.7
135.96996	6.5
135.99998	3.0
136.02728	0.7
136.04556	0.6
136.95428	0.7
137.02936	1.3
140.00259	0.8
140.04951	1.0
141.01808	1.9
141.06569	2.4
141.98331	0.6
142.06503	44.2
143.07208	1.7
144.09306	0.9
149.01221	0.6
150.95726	3.2
152.96901	1.1
153.00703	14.7
153.01901	1.1
153.96657	6.2
154.01067	1.3
154.59093	0.8
154.96463	7.3
158.01256	2.8
158.08395	1.7
159.01640	0.5
159.06339	3.2
159.07835	4.5
159.09149	76.8
159.11617	4.8
160.04663	0.9
160.07564	20.9
160.09563	2.5
161.02951	1.2
171.97844	1.1
172.97501	1.9
174.17531	0.5
176.02316	0.7
176.98322	0.6
177.00757	1.0
177.97977	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	155.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78001	0.3
52.94515	0.3
53.03937	0.3
55.01873	0.3
55.05503	1.5
55.93511	1.7
56.05005	0.3
56.94289	0.4
56.96551	0.9
57.03431	1.0
57.07071	75.9
58.06599	0.6
58.07404	1.3
67.05490	2.7
69.04535	0.4
69.07063	1.3
69.96162	0.8
70.02895	0.3
70.76444	0.6
70.76799	0.6
70.95860	17.2
71.04985	0.5
72.04530	0.3
72.08131	0.3
72.93782	100.0
73.93825	1.1
75.15363	0.3
79.05472	0.3
81.04559	0.4
81.07054	2.9
83.04974	1.3
85.06534	8.5
88.96896	5.1
90.94817	25.5
93.07051	0.4
93.19943	0.3
95.04957	1.3
95.08596	2.6
97.10242	0.3
98.07150	0.3
98.98477	0.4
99.04449	0.5
99.08073	0.5
106.97875	0.7
108.95856	5.3
109.02809	0.4
109.06507	0.7
109.10129	1.2
110.07121	1.1
110.54812	0.3
111.04420	0.9
111.98464	6.2
112.08697	0.8
113.05966	1.2
113.96390	42.8
114.06672	0.4
114.94796	0.5
114.96552	0.5
116.12800	0.3
127.03889	0.5
127.07544	0.5
129.99500	4.2
131.97426	43.3
132.95825	15.1
132.97653	1.5
137.05931	0.7
137.09581	0.5
138.06593	0.4
149.97173	2.5
149.98438	1.1
150.96877	42.8
154.98993	2.2
155.07034	2.2
155.09268	0.3
155.12979	0.4
155.14291	4.1
155.97385	2.1
156.07602	0.4
167.98196	0.4
168.97932	2.1
173.98480	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	158.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47391	0.4
53.03942	0.5
54.87168	0.4
54.98634	0.6
55.01855	0.7
55.05506	1.7
56.05021	1.4
56.96559	26.5
57.03425	2.1
57.07071	4.6
57.93559	1.6
58.06593	44.2
59.04996	0.5
60.04516	1.3
60.85483	0.4
61.02914	0.5
62.06087	0.5
67.05494	1.7
68.04996	0.6
69.03421	0.8
69.07056	2.2
69.77943	2.6
70.06586	6.4
70.98119	0.7
71.01327	0.6
71.04976	1.8
71.95255	3.7
71.98572	0.4
72.04507	1.6
72.08143	2.4
75.94609	0.6
79.05464	0.9
81.03418	1.8
81.07056	3.4
82.06570	0.9
84.04529	0.5
84.08137	8.1
84.95999	0.7
85.02903	2.2
85.06532	5.4
86.06073	0.7
86.09699	2.5
94.06547	0.8
95.08569	0.8
96.08104	1.2
97.06517	1.4
98.06037	4.1
98.09686	2.3
98.21383	0.7
98.97572	94.4
99.04462	1.2
99.05594	0.5
99.97906	1.2
100.07607	0.8
102.09176	4.9
103.50307	0.6
109.02847	0.5
111.35684	0.4
112.07590	2.6
112.08724	1.3
112.11236	0.8
114.09156	8.1
116.00215	0.9
116.07047	0.8
116.97223	6.4
116.98604	100.0
117.98975	1.4
119.01870	1.4
123.11681	7.2
127.01511	0.7
127.03975	0.6
129.10194	0.8
130.08527	0.5
130.12283	0.5
131.00133	0.9
134.01241	0.7
134.02925	0.9
134.99640	78.3
135.99959	0.8
137.02879	0.6
140.00189	1.7
140.07040	1.1
140.10670	1.3
140.14314	0.6
141.10222	0.6
146.99608	0.7
149.01178	1.0
152.96916	1.9
153.00690	13.2
157.00520	0.4
158.01259	2.4
158.06148	0.7
158.08086	3.3
158.09392	2.6
158.11755	6.8
158.15385	57.1
159.06369	1.4
159.11256	0.9
159.15714	1.5
176.02266	0.8
177.00583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.05504	3.1
55.93521	2.0
56.94328	0.5
56.96565	0.8
57.03432	1.5
57.07070	68.6
58.06584	0.9
58.07407	1.5
59.05006	0.4
59.06111	0.5
60.04547	0.4
66.36536	0.3
67.05495	4.9
68.05016	0.4
69.03430	1.1
69.04524	0.4
69.07070	2.1
69.96181	0.8
70.07381	0.4
70.84920	1.0
70.95858	25.4
71.04999	2.8
71.06112	0.4
71.08633	0.7
71.94098	0.5
72.08154	0.8
72.93781	100.0
73.93825	1.5
76.24614	0.4
79.05481	0.9
80.05829	0.3
81.03445	0.6
81.04564	0.7
81.07050	7.0
82.06590	0.4
83.04966	2.5
84.04470	0.5
85.02905	0.4
85.06532	8.9
88.96389	0.5
88.96900	7.8
90.94819	25.2
91.05448	0.5
91.94860	0.4
93.07008	0.5
95.04964	1.8
95.06091	0.9
95.08595	6.3
96.05598	1.0
97.04017	0.8
97.06514	0.8
97.07631	0.6
98.07174	0.7
98.98446	0.9
99.04443	1.5
99.08067	0.7
106.97923	1.6
108.95847	5.5
109.02853	1.0
109.06501	1.4
109.07616	0.5
109.10153	2.7
110.06083	0.8
110.07146	1.4
111.04433	1.8
111.08073	0.5
111.98471	9.5
112.08731	0.8
113.06000	1.9
113.08262	0.7
113.96392	39.1
114.06712	0.7
114.94771	0.5
114.96616	0.9
123.04497	0.4
127.03905	0.6
127.07557	1.1
129.05475	0.5
129.99493	5.9
131.01889	0.4
131.96249	1.2
131.97421	39.8
132.95821	21.4
132.97452	0.9
137.05956	0.4
137.08066	0.4
137.13243	0.5
138.06631	0.6
138.09035	0.4
139.07335	0.4
141.06973	2.7
149.97183	3.5
149.98463	1.1
150.96872	64.2
153.01060	0.5
153.06995	0.5
154.97882	0.5
154.98961	2.5
155.03401	0.5
155.07050	4.9
155.09135	2.0
155.10353	0.5
155.12985	0.7
155.14282	3.4
155.16203	0.4
155.97403	2.6
156.06480	0.4
156.07689	0.7
156.09337	1.4
167.98257	0.6
168.97914	3.3
173.98497	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	154.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49368	0.0
52.49603	0.1
53.68443	0.1
56.96558	0.9
57.03436	0.1
58.99858	0.2
61.49849	0.1
61.50132	0.2
62.86079	0.0
68.00372	0.3
68.05014	0.1
68.50407	0.1
68.96310	0.1
69.00281	0.0
69.63010	0.3
69.96178	0.3
70.50599	0.3
71.00620	0.1
71.50541	0.1
71.94096	0.5
71.95270	0.1
72.05977	0.1
72.93772	0.2
77.00902	0.6
77.50945	0.2
77.62625	0.0
78.00796	0.1
79.51157	2.5
80.01198	0.4
80.51038	0.3
80.96597	0.1
82.01411	0.4
83.01528	0.1
83.04976	0.1
83.06087	0.1
86.01435	0.1
87.04445	0.1
88.51687	24.8
89.01731	5.6
89.51539	2.8
89.97137	0.2
90.94798	0.1
91.01939	0.7
91.51965	0.1
92.01858	0.1
92.47316	0.5
92.97433	0.1
97.52200	1.9
98.02237	0.5
98.52124	0.1
98.97614	0.4
99.47707	0.1
100.02472	6.7
100.52518	1.9
101.02325	0.6
101.47849	0.5
101.48508	0.0
101.97950	0.1
102.47787	0.1
105.07030	0.1
107.98129	1.0
108.48189	0.3
108.98048	0.1
109.02990	0.1
109.07697	0.1
110.48373	1.5
110.98455	0.3
111.09229	0.1
111.48240	0.2
111.53264	0.2
112.03279	0.1
112.96709	0.1
112.98671	0.4
113.00870	0.1
113.48649	0.1
114.04087	0.1
116.98672	3.0
117.48705	0.7
117.98527	0.4
118.03518	0.3
119.01915	0.6
119.48928	4.6
119.98978	1.3
120.48766	0.8
121.01648	0.1
121.99168	0.4
122.49221	0.1
125.99213	11.2
126.49247	2.6
126.99072	1.5
128.00237	0.1
128.49472	23.1
128.99516	6.3
129.49332	3.4
129.50479	0.1
129.50691	0.1
129.99762	0.1
130.49283	0.1
130.96178	0.1
130.99722	3.3
131.01883	1.5
131.49762	0.9
131.96132	0.5
131.97382	0.1
131.99588	0.7
132.05052	0.6
133.49963	0.1
134.99707	0.4
136.07561	0.2
137.00778	0.4
137.02962	0.2
137.49998	100.0
138.00035	27.0
138.02223	0.2
138.49866	15.3
139.00226	0.3
139.50090	0.3
139.51031	0.1
140.00255	17.1
140.50304	4.9
141.00130	2.7
142.03487	0.1
142.50546	0.3
143.00592	0.1
144.50790	0.4
145.00859	0.1
146.50525	1.2
147.00565	0.3
147.04921	0.1
147.50278	0.1
148.48483	0.1
148.51575	0.2
149.00797	49.6
149.50844	15.2
149.97200	1.7
150.00673	8.5
150.06084	0.6
150.50983	0.1
151.00702	0.3
151.51036	1.3
152.01125	0.4
152.50963	0.3
154.03500	0.3
154.04639	0.1
154.09718	0.1
154.13333	0.1
156.01552	0.2
156.51654	0.2
157.51601	0.1
158.01366	0.2
160.51601	2.1
161.01663	0.8
161.02919	0.1
161.51514	0.3
163.02220	0.1
167.02261	0.1
167.98209	0.1
172.94176	0.1
172.98703	0.1
173.02960	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	153.1272
Annotation	Artemisia ketone
Peak:m/z	Relative Intensity
53.03939	1.3
55.01872	0.4
55.05507	55.1
56.05027	0.4
56.05848	1.0
56.96569	0.8
57.03434	0.7
59.04989	0.4
64.08073	0.3
65.03938	7.3
67.05495	1.9
68.05010	0.8
68.96324	0.9
69.03419	1.6
69.04555	0.5
69.07056	2.0
70.06586	0.8
70.28425	0.6
70.28816	0.5
70.94257	8.0
70.95863	1.1
71.04994	0.5
71.94096	3.1
71.95244	0.4
72.04525	0.3
72.08135	0.5
79.05491	2.0
81.04521	0.3
81.07042	1.6
82.06588	0.3
83.04976	100.0
83.08634	0.5
84.05273	1.9
86.97339	0.6
87.04474	0.4
88.95286	2.3
88.96891	0.4
89.95121	0.4
91.05473	1.7
92.80873	0.2
93.03388	2.0
93.07031	2.5
94.06585	0.4
95.04977	1.7
95.06074	0.5
95.08582	1.1
96.05568	0.3
97.02844	0.5
97.06520	2.6
105.07008	0.5
106.96352	0.5
107.04955	1.1
107.08588	4.4
109.06554	1.5
109.07639	0.7
109.10148	1.3
109.98909	0.3
110.03651	1.4
110.07205	0.7
111.04437	11.4
111.08073	2.2
111.09191	0.5
111.96868	3.3
112.04794	0.5
112.08753	1.7
112.96700	1.0
113.05866	0.6
121.02864	2.1
125.02362	0.3
125.05984	4.3
125.09595	0.8
129.97900	3.9
130.96284	1.0
130.97728	1.0
135.04518	0.7
135.08051	2.2
135.11668	1.3
136.07556	1.3
136.08687	1.1
148.97348	2.9
153.01865	1.4
153.05460	2.0
153.07877	0.3
153.09184	1.8
153.10089	0.4
153.10318	0.3
153.11346	2.7
153.12720	9.9
154.04984	0.9
154.06122	0.3
154.08582	1.0
154.09691	0.6
154.13141	0.6
168.33684	0.3
171.98981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Artemisia ketone
Peak:m/z	Relative Intensity
51.80720	0.2
53.03929	1.3
53.19700	0.2
55.01879	0.4
55.05505	56.3
56.05848	1.0
56.96562	1.1
57.03431	0.9
57.07071	0.4
59.04998	0.4
64.07086	0.2
65.03943	2.1
67.05500	1.4
67.08495	0.2
68.05052	0.3
68.96327	0.5
69.03422	1.1
69.07065	1.3
70.06586	0.5
70.94259	3.1
70.95863	0.5
71.01751	0.4
71.02097	0.5
71.04994	1.2
71.10196	0.2
71.94109	1.2
72.08149	0.4
73.06571	0.5
79.05488	2.1
81.03413	0.3
81.07052	3.0
83.04974	100.0
83.08607	0.4
84.05297	1.8
84.08163	0.2
87.04452	0.5
88.95298	0.7
89.82380	0.2
91.05457	1.3
93.03377	0.5
93.07032	2.4
95.04959	3.2
95.06075	0.5
95.08593	1.0
97.06519	2.4
105.07024	0.4
106.96325	0.4
107.04945	0.8
107.08584	3.5
109.06499	1.0
109.07671	0.6
109.10152	1.6
110.03642	0.5
110.07177	0.3
111.04430	3.3
111.08061	2.7
111.09200	0.7
111.39378	0.2
111.96870	1.5
112.08730	0.6
112.96711	0.4
113.05864	0.3
113.60899	0.2
125.05991	1.1
125.06956	0.2
125.09613	0.6
129.97888	1.4
130.96280	0.5
130.97736	0.6
135.04404	0.4
135.08031	0.8
135.11700	1.1
136.03944	0.3
136.07571	0.9
136.08627	0.5
140.33310	0.3
148.97372	1.2
153.05420	0.9
153.09077	0.9
153.10204	0.6
153.11356	1.9
153.12720	10.4
154.04930	0.4
154.08623	0.8
154.13107	0.3
154.15874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Artemisia ketone
Peak:m/z	Relative Intensity
53.03942	1.6
55.01877	0.6
55.05509	52.2
55.11081	0.4
56.05036	0.4
56.05850	0.7
56.96555	0.4
57.03439	0.7
58.06597	0.4
61.32883	0.3
65.03941	6.4
67.05500	0.9
68.05035	0.7
68.96339	0.9
68.99754	0.3
69.03424	1.4
69.04554	0.6
69.07064	1.7
69.46741	2.8
70.06592	0.6
70.94256	9.3
70.95858	1.2
71.04993	0.4
71.94093	3.4
72.08128	0.3
79.01955	0.3
79.05486	1.8
81.03410	0.4
81.04543	0.4
81.07043	1.3
82.06614	0.3
83.04976	100.0
83.08641	0.7
84.05288	2.3
88.95287	2.9
88.96915	0.4
89.95145	0.4
91.05484	1.4
93.03394	2.1
93.07026	2.4
94.06577	0.4
95.04961	1.8
95.06094	0.9
95.08607	1.1
96.05582	0.3
97.06518	2.6
105.07012	0.6
106.96318	0.7
107.04949	1.2
107.08582	4.6
109.06522	1.1
109.07639	0.4
109.10135	1.6
109.98934	0.7
110.03631	0.8
110.07147	0.7
111.04433	11.7
111.08060	2.3
111.96864	3.7
111.98492	0.4
112.08718	1.8
112.96687	0.9
121.02866	3.2
125.06000	3.8
125.09614	0.9
128.00055	0.4
129.97902	4.1
130.96309	0.6
130.97731	0.8
135.04391	0.8
135.08064	2.4
135.11676	1.2
136.07552	1.1
136.08592	0.6
139.09436	0.3
148.97348	3.2
153.01816	1.8
153.05458	2.2
153.07816	0.4
153.09103	1.5
153.11337	2.4
153.12723	12.6
154.04953	0.7
154.06131	0.5
154.08588	1.1
154.09709	0.8
154.13055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03933	3.6
54.03458	1.6
55.01855	3.2
55.02978	0.9
55.05513	7.0
55.93499	0.9
56.05032	5.1
56.96561	24.5
57.03425	2.3
57.07060	1.0
58.06591	1.6
59.54713	0.9
63.00718	0.9
65.03938	15.4
66.03429	1.2
67.02973	1.4
67.05502	10.8
68.05027	10.0
68.94345	1.5
68.99774	0.9
69.03432	4.9
69.04527	2.3
69.07065	4.8
69.75455	4.8
70.02953	1.2
70.06590	11.0
70.94250	11.5
70.95851	4.6
71.01318	0.9
71.04965	1.5
72.04505	0.9
72.93760	1.4
72.96048	0.8
73.02925	3.8
79.05488	30.1
80.05008	6.7
80.05817	1.8
81.03407	7.3
81.04104	0.8
81.04517	4.5
81.05795	2.7
81.06646	0.9
81.07047	5.6
82.05338	1.2
82.06580	6.9
82.07374	0.9
83.04973	6.1
83.06088	6.3
84.04486	2.9
84.08121	2.9
85.02900	3.5
85.04008	1.1
85.06541	1.4
87.05572	0.8
88.95320	4.5
88.96888	2.3
91.05473	5.3
92.05024	1.3
92.05778	4.3
92.20882	0.7
92.90068	2.6
93.03391	2.3
93.04520	0.9
93.05777	1.5
93.07031	3.3
94.06564	8.8
95.04967	8.9
95.06076	5.1
95.07352	2.2
95.08603	1.8
96.04472	4.5
96.05328	1.3
96.06844	2.0
96.08127	13.0
96.08775	1.1
97.02872	3.7
97.06506	4.1
97.07655	10.1
98.06052	0.9
98.21407	1.5
98.97581	9.9
101.00861	0.9
105.04491	1.3
105.07030	1.4
106.04059	0.7
106.06549	34.4
106.96341	1.5
107.04947	100.0
107.06100	4.0
107.08596	4.2
108.04462	3.4
108.05255	2.2
108.08105	4.4
108.53053	0.8
109.02888	6.5
109.04018	0.8
109.05226	1.7
109.06492	2.3
109.07635	18.1
109.10108	0.9
110.02384	0.8
110.03571	7.1
110.06049	4.8
110.07151	2.8
110.08430	1.6
110.09668	1.2
110.97575	2.1
111.04436	28.4
111.05560	3.0
111.08087	1.0
111.09193	7.6
111.96848	5.2
112.06354	2.7
112.07559	1.0
112.09992	4.4
113.05867	4.4
113.10297	0.8
116.23997	0.7
116.97291	1.0
116.98618	12.0
117.07036	1.1
119.01887	3.3
120.05288	2.9
121.03483	1.0
122.07130	0.9
123.04427	2.5
123.06808	1.9
124.03932	2.9
124.07587	32.9
124.08589	2.3
124.11214	1.3
125.05978	11.9
125.07068	3.2
125.07888	1.0
125.09778	0.9
125.10748	2.5
128.04558	3.8
128.96440	1.2
128.98610	7.2
129.03946	1.8
129.53632	0.8
129.97908	8.5
129.99442	0.9
133.03467	1.2
134.06029	22.1
134.07095	3.8
134.09618	1.8
134.99648	13.3
135.04405	61.4
135.05469	2.6
135.08035	2.6
135.09166	8.9
135.11627	1.5
136.01395	3.2
136.04741	1.0
136.07545	3.3
137.08327	3.5
137.09402	1.0
143.01875	1.7
146.97438	15.8
146.99644	12.6
147.01395	1.6
147.05009	4.6
149.14754	0.9
151.03845	1.0
151.93773	2.0
152.01637	5.7
152.03419	3.1
152.04477	1.5
152.05666	31.0
152.07043	41.4
152.08144	9.0
152.10677	23.2
152.11823	15.6
153.00768	1.6
153.04060	21.0
153.05441	6.7
153.06537	1.6
153.07637	1.9
153.09068	2.5
153.10161	1.6
153.11287	2.2
154.02455	6.3
158.99649	2.2
159.03268	2.7
161.01302	1.3
161.02945	3.8
161.59186	0.8
165.00725	2.9
165.06079	0.9
172.85550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0705
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
51.43323	0.2
53.03946	0.6
54.03447	0.2
55.01868	1.1
55.05506	1.4
56.05028	0.5
56.96569	0.9
57.03437	0.2
57.07083	0.2
57.57548	0.1
65.03934	1.5
67.05495	1.9
67.05782	0.2
68.05029	0.6
68.05817	0.2
69.03428	0.4
69.07063	0.6
70.06601	0.6
70.94250	3.5
70.95861	0.6
79.05484	6.9
80.05009	0.9
80.05824	0.3
81.03417	0.5
81.05791	3.9
81.07049	11.0
82.02930	0.4
82.06571	0.9
82.07381	0.5
83.04974	0.9
83.06111	0.5
84.08134	0.2
88.95298	1.0
88.96882	0.3
91.05471	1.0
93.03394	0.3
93.07020	1.0
94.06553	2.3
94.07133	0.2
94.07363	0.2
95.04961	1.6
95.06075	0.4
95.08640	0.3
96.04487	1.2
96.08121	20.2
97.06532	0.3
97.07650	0.5
97.08433	0.4
106.06547	2.6
106.07278	0.2
107.04950	1.1
107.08572	0.7
108.08148	0.2
108.08916	0.2
109.05248	0.3
109.06522	0.8
109.07632	0.7
109.10123	0.2
110.03616	0.2
110.06035	0.7
110.07107	0.5
110.10455	0.2
111.04430	2.9
111.05573	0.3
111.08028	0.7
111.09200	0.3
111.96877	1.7
112.08749	0.3
124.07578	100.0
125.06025	1.1
125.07124	0.3
125.07925	3.0
128.98607	0.4
129.97884	1.9
134.05980	0.7
134.07043	0.4
135.04468	0.4
135.08156	0.3
135.09192	0.4
146.97452	0.8
146.99609	0.4
152.01617	0.7
152.07045	22.9
152.08052	0.8
152.11560	2.2
152.99451	0.2
153.01813	0.5
153.04150	0.2
153.05447	0.4
153.07458	0.9
153.09062	0.6
153.11345	0.5
153.12682	0.3
165.00743	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	152.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01852	0.3
55.02987	0.5
55.05524	0.2
56.04780	0.3
56.05032	3.2
56.96560	3.2
57.03440	0.8
59.04970	0.5
60.04510	1.0
61.01139	0.3
61.02909	0.4
63.00719	1.9
69.03419	1.0
69.48573	0.2
70.06582	0.3
70.98115	0.2
71.04164	0.3
71.04530	0.2
71.04977	0.6
73.02890	0.6
74.02417	0.2
74.06075	0.3
74.43414	0.1
74.97592	0.2
77.00868	0.2
79.05479	0.3
81.03405	1.0
82.04049	0.5
83.04967	0.2
85.02885	1.2
86.99383	0.2
88.07619	0.2
89.00757	0.4
89.02242	0.3
89.03440	0.3
90.01556	0.2
91.02425	0.3
96.08125	0.2
97.02868	2.0
97.07660	0.3
98.01298	0.2
98.97580	1.1
99.04456	0.3
100.02439	0.2
101.00876	0.4
102.02338	0.2
102.04254	0.2
102.05527	0.5
106.04901	1.7
106.06534	0.5
107.01822	0.2
107.03513	0.5
107.04943	0.6
108.08099	0.7
109.02901	0.3
109.05110	2.5
110.03514	11.9
110.06039	0.2
110.97582	0.3
111.02988	0.2
114.04053	0.2
115.02400	1.1
116.98638	0.6
117.03999	1.0
117.04691	0.2
119.01891	1.4
119.03752	0.3
120.01945	0.2
121.01671	0.2
123.06806	0.2
124.07581	0.6
125.07147	0.4
128.04555	7.3
128.98598	0.7
129.03990	0.7
129.04858	0.2
131.01863	0.4
131.04475	0.2
133.03473	1.1
134.04607	1.5
134.06000	2.7
134.99597	0.3
135.03000	13.7
135.05035	2.5
136.01405	0.5
136.03317	0.2
136.05125	0.5
137.01218	0.2
137.02904	0.4
137.04749	0.3
140.04977	1.0
140.55139	0.3
142.96600	0.2
143.01915	0.8
145.03426	0.3
146.99625	0.8
147.04987	0.9
149.06606	0.2
152.05664	100.0
152.10562	1.2
152.25595	0.2
153.04059	38.0
154.02448	0.8
154.04384	0.7
157.03526	0.2
159.05040	0.3
161.02942	1.5
161.81569	0.1
162.03076	0.3
163.02629	0.2
165.00728	0.2
171.05154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1481
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03936	1.0
55.05507	6.4
56.96566	2.7
57.03442	1.0
57.07078	1.2
59.04993	0.7
61.02925	0.4
64.72112	0.3
65.03940	2.3
67.05500	87.3
68.05841	2.0
68.61954	0.3
68.93568	0.7
68.94350	0.5
68.95274	0.4
68.96333	0.4
69.03426	0.9
69.07062	5.0
69.41179	3.4
71.08630	0.8
74.09756	0.4
75.74550	0.4
79.05486	7.0
81.03415	0.8
81.07052	46.7
82.06601	0.5
82.07384	1.2
83.08600	0.9
91.02939	0.3
91.05482	2.9
93.07037	5.9
95.04967	2.2
95.08600	100.0
96.08134	0.8
96.08929	3.0
98.01298	0.4
98.97594	0.7
105.07019	3.5
106.06583	0.4
107.04980	0.7
107.08598	1.9
109.02833	0.5
109.06512	2.3
109.10148	50.0
110.01274	0.6
110.06006	0.4
110.10475	1.7
111.02073	0.5
115.65373	0.3
116.98637	0.9
119.01788	0.9
119.08544	0.4
120.02554	0.4
123.04465	0.5
123.08045	1.9
123.11689	1.4
124.03909	0.3
124.07575	1.1
125.48717	0.4
128.02299	0.7
128.98532	0.4
129.03078	0.4
130.52576	0.4
133.06482	0.7
133.10112	1.2
134.05992	0.8
134.99666	0.9
137.02832	0.8
139.53062	0.4
146.97462	0.9
146.99646	0.8
151.02811	0.6
151.03888	2.1
151.05035	0.5
151.07504	2.5
151.08621	0.8
151.11169	5.1
151.14804	9.3
152.01581	0.9
152.03482	0.8
152.05917	0.5
152.07042	3.0
152.08118	0.8
152.15190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0566
Annotation	Guanine
Peak:m/z	Relative Intensity
53.03933	0.4
55.01852	0.3
55.02987	0.5
55.05524	0.2
56.04780	0.3
56.05032	3.2
56.96560	3.2
57.03440	0.8
59.04970	0.5
60.04510	1.0
61.01139	0.3
61.02909	0.4
63.00719	1.9
69.03419	1.0
69.48573	0.2
70.06582	0.3
70.98115	0.2
71.04164	0.3
71.04530	0.2
71.04977	0.6
73.02890	0.6
74.02417	0.2
74.06075	0.3
74.43414	0.1
74.97592	0.2
77.00868	0.2
79.05479	0.3
81.03405	1.0
82.04049	0.5
83.04967	0.2
85.02885	1.2
86.99383	0.2
88.07619	0.2
89.00757	0.4
89.02242	0.3
89.03440	0.3
90.01556	0.2
91.02425	0.3
96.08125	0.2
97.02868	2.0
97.07660	0.3
98.01298	0.2
98.97580	1.1
99.04456	0.3
100.02439	0.2
101.00876	0.4
102.02338	0.2
102.04254	0.2
102.05527	0.5
106.04901	1.7
106.06534	0.5
107.01822	0.2
107.03513	0.5
107.04943	0.6
108.08099	0.7
109.02901	0.3
109.05110	2.5
110.03514	11.9
110.06039	0.2
110.97582	0.3
111.02988	0.2
114.04053	0.2
115.02400	1.1
116.98638	0.6
117.03999	1.0
117.04691	0.2
119.01891	1.4
119.03752	0.3
120.01945	0.2
121.01671	0.2
123.06806	0.2
124.07581	0.6
125.07147	0.4
128.04555	7.3
128.98598	0.7
129.03990	0.7
129.04858	0.2
131.01863	0.4
131.04475	0.2
133.03473	1.1
134.04607	1.5
134.06000	2.7
134.99597	0.3
135.03000	13.7
135.05035	2.5
136.01405	0.5
136.03317	0.2
136.05125	0.5
137.01218	0.2
137.02904	0.4
137.04749	0.3
140.04977	1.0
140.55139	0.3
142.96600	0.2
143.01915	0.8
145.03426	0.3
146.99625	0.8
147.04987	0.9
149.06606	0.2
152.05664	100.0
152.10562	1.2
152.25595	0.2
153.04059	38.0
154.02448	0.8
154.04384	0.7
157.03526	0.2
159.05040	0.3
161.02942	1.5
161.81569	0.1
162.03076	0.3
163.02629	0.2
165.00728	0.2
171.05154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1481
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03945	2.1
55.01865	2.3
55.05509	8.2
56.05041	0.9
56.96558	0.8
57.03432	1.2
57.07076	13.0
58.06591	0.5
59.06149	0.5
65.03939	2.1
67.05502	50.8
68.05019	2.8
68.05819	1.3
68.99782	1.0
69.03432	6.4
69.07066	7.6
70.06581	1.0
70.72578	1.2
71.08634	6.9
72.91761	0.5
77.03891	0.5
79.05492	14.4
79.05957	0.8
80.05006	0.7
80.05825	1.0
80.06261	0.7
81.03419	1.2
81.04530	1.1
81.05757	0.8
81.07055	26.1
82.06575	0.8
82.07384	0.9
83.04992	2.6
83.06097	1.6
83.08601	2.0
91.04970	0.6
91.05481	8.0
92.05820	1.2
93.04506	0.5
93.07041	9.7
94.06567	0.6
94.07384	1.1
95.01336	3.6
95.04974	7.1
95.08604	100.0
96.08125	3.4
96.08942	4.2
97.07658	0.7
103.05460	3.5
105.04526	0.8
105.07027	21.0
106.06609	0.7
106.07357	1.4
107.04963	1.9
107.08585	5.5
108.05717	3.5
109.06525	8.1
109.07660	2.0
109.10152	67.0
110.07192	4.5
110.10491	1.6
111.07953	8.6
111.08668	0.5
116.06229	0.5
118.06898	0.5
119.04941	0.8
119.29368	0.5
121.06511	1.3
121.10123	1.6
122.10899	0.6
123.04455	4.0
123.08070	23.3
123.10825	0.9
123.11695	7.9
124.07594	1.9
124.08601	2.0
128.98598	0.5
133.06491	15.1
133.09244	0.6
133.10130	2.1
134.06963	1.0
135.11697	1.4
146.99675	0.6
151.04095	2.7
151.05028	1.0
151.07544	32.6
151.09955	5.1
151.11185	10.1
151.14809	13.4
152.05684	1.3
152.07054	3.8
152.08028	1.5
152.11754	1.5
153.04095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03934	2.4
55.01857	5.4
55.05511	10.7
56.05017	1.8
56.96561	12.1
57.03415	4.4
57.07055	3.1
58.06590	1.4
59.04999	1.7
65.03930	7.0
67.05501	31.0
67.59473	1.3
68.05035	9.2
68.94333	2.2
68.95282	3.0
68.96291	1.5
68.99800	1.5
69.03410	5.1
69.04535	2.5
69.07043	5.6
69.38720	3.8
69.39122	9.1
70.06570	2.7
71.04996	1.6
72.62171	1.1
72.68449	1.1
73.02895	1.2
79.05490	22.2
80.04992	3.9
81.03401	5.7
81.04533	1.4
81.06570	2.6
81.07046	43.8
82.06535	1.4
82.07368	1.8
83.04960	3.5
83.06111	7.2
85.02908	2.1
89.06014	1.8
90.01540	2.2
91.05472	23.0
93.04504	1.9
93.07043	16.1
95.01320	2.6
95.04964	17.8
95.08598	28.5
96.01531	1.5
96.04487	1.4
96.05609	1.5
96.08128	3.9
97.06540	1.7
97.07644	1.6
98.97573	3.1
103.05434	3.0
105.03353	1.9
105.07024	35.4
106.06614	2.4
106.07336	4.4
107.01787	1.7
107.04981	2.8
107.06053	1.6
107.08585	13.8
107.47595	2.1
108.02073	3.6
108.05679	3.4
109.02897	2.0
109.05297	1.5
109.06511	26.8
109.07649	3.5
109.10149	22.3
110.01304	3.0
110.06034	2.8
110.07160	17.0
110.97587	1.6
111.05550	2.1
111.07942	37.0
116.03062	2.1
116.98596	4.8
119.01791	4.2
119.04926	2.3
121.06512	1.4
121.10126	2.6
122.07178	1.2
123.04400	5.8
123.08066	19.2
123.11710	8.5
124.03947	2.7
124.07565	7.8
124.08649	5.4
128.02327	8.1
128.98563	1.6
129.03157	1.6
133.06505	7.2
133.10123	13.2
134.05952	4.0
134.07076	3.4
134.99643	4.5
135.09181	1.3
135.72090	1.5
136.08804	3.4
137.02818	3.9
141.05479	3.4
145.88530	1.3
146.97404	7.5
146.99637	5.8
151.02893	2.3
151.03879	23.0
151.05025	8.4
151.06245	2.7
151.07530	22.1
151.09781	14.6
151.11157	100.0
151.14774	2.5
152.01625	5.1
152.03296	1.3
152.05696	3.4
152.07033	12.7
152.08076	2.7
152.11604	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.02371	0.4
52.98878	0.4
53.03927	1.5
54.22013	0.4
55.01869	3.8
55.05502	3.9
56.05019	0.7
56.96288	0.6
56.96555	6.2
57.03435	2.3
57.07053	1.5
59.04982	1.2
61.02923	0.6
65.03940	4.0
66.13536	0.4
67.05499	19.2
68.05030	3.3
68.05824	0.8
68.94344	0.4
68.95284	1.2
68.96307	0.7
69.03071	0.5
69.03427	5.1
69.04530	0.7
69.07060	3.1
69.45879	3.4
70.05390	0.3
70.06573	0.9
71.01338	0.4
71.04982	1.0
73.02901	1.0
77.03899	0.5
79.05054	0.7
79.05486	10.3
80.04997	0.7
80.05819	0.6
81.03416	2.8
81.05764	0.8
81.07049	30.6
82.06567	1.3
82.07352	0.8
83.00776	0.6
83.04954	1.5
83.06107	2.5
83.08598	0.5
84.04483	0.5
84.05603	0.5
85.02896	1.2
86.97345	0.4
91.05473	13.4
92.01278	0.5
92.04967	0.4
93.03408	0.5
93.04540	0.5
93.07036	11.8
94.04146	0.7
94.06547	1.1
95.01288	0.4
95.04961	14.1
95.06915	0.5
95.08595	15.9
96.01565	0.8
96.04474	0.8
96.05242	0.4
96.08112	1.6
96.08927	0.7
97.06506	1.5
97.07635	1.1
98.01302	0.9
98.97575	1.8
99.02086	0.5
103.05444	1.3
105.03395	0.7
105.04530	0.7
105.07021	23.6
106.06544	1.0
106.07342	2.6
107.01749	0.4
107.04962	2.1
107.06066	0.7
107.07854	0.7
107.08584	11.8
108.02094	2.9
108.04478	0.9
108.05724	1.9
109.02863	1.0
109.06508	24.7
109.07668	1.5
109.10144	13.4
110.01269	1.7
110.06063	0.7
110.07176	6.6
110.08366	0.5
110.10511	0.4
111.04419	1.0
111.05572	0.7
111.07938	12.0
111.09125	0.5
112.08288	0.4
116.48124	0.5
116.98618	2.3
117.06973	0.6
119.01818	2.8
119.04938	1.5
119.05930	0.5
121.06492	1.1
121.10141	2.8
121.52045	0.5
122.07223	1.1
123.04422	2.8
123.05495	0.5
123.08060	14.8
123.11694	7.6
124.03950	0.8
124.07558	2.9
124.08636	1.8
128.02316	3.1
128.98592	1.5
130.52652	0.5
131.08556	1.0
133.02847	0.5
133.06461	2.9
133.10126	9.7
134.06003	1.4
134.07138	1.3
134.99614	1.4
135.08025	0.5
135.50171	0.4
136.08798	1.9
137.02803	1.4
137.05412	0.6
138.05530	0.6
141.05440	3.4
146.97447	3.5
146.99637	3.0
151.03886	16.5
151.05028	4.2
151.07561	13.4
151.09827	6.0
151.11160	100.0
151.35835	0.4
152.01599	1.2
152.04407	0.8
152.05644	1.0
152.07047	4.4
152.08141	1.0
152.11577	4.8
165.00761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.02374	0.4
53.03931	1.0
55.01863	2.0
55.05293	0.3
55.05503	3.2
56.05013	1.0
56.96294	0.4
56.96562	5.8
57.03431	2.0
57.07069	1.7
58.06600	0.4
59.04980	1.3
59.06108	0.4
61.02907	0.3
65.03926	2.5
67.05501	13.5
68.05029	3.1
68.93610	0.3
68.94328	0.7
68.95272	0.5
69.03418	3.1
69.04549	0.7
69.07044	2.4
70.06573	1.1
71.04971	0.7
71.18613	0.6
73.02892	1.1
74.97581	0.4
77.03870	0.4
79.05058	0.5
79.05487	7.8
80.04988	0.8
80.06257	0.4
81.03412	2.4
81.07050	22.8
82.06564	1.0
82.07366	0.8
83.04957	1.2
83.06078	2.3
83.08627	0.4
84.08155	0.4
85.02879	0.7
88.06073	0.4
89.00710	0.3
90.01530	0.6
91.05473	12.2
92.01292	0.7
92.05787	0.4
93.07035	8.9
94.06552	0.6
94.07348	0.6
95.04964	8.0
95.06043	0.6
95.08598	10.5
96.01527	0.4
96.04465	0.6
96.05632	1.0
96.08128	1.2
97.02897	0.3
97.06509	1.5
97.07629	0.8
98.01285	0.7
98.97552	1.1
103.05451	0.9
104.01248	0.6
105.03373	0.7
105.04457	0.3
105.07026	18.1
106.06563	0.9
106.07351	1.4
107.04928	1.5
107.06087	0.6
107.08582	9.1
108.02087	0.9
108.04470	0.4
108.05682	1.2
109.02877	0.9
109.06510	17.8
109.07588	1.6
109.10148	13.1
110.01256	0.7
110.06009	0.8
110.07181	5.7
110.10471	0.4
111.04371	0.4
111.07946	12.0
112.08273	0.4
116.98599	1.7
119.01780	1.5
119.04944	1.1
119.06080	0.4
119.08569	0.4
120.02593	0.3
121.06493	1.3
121.10110	2.4
122.07218	0.6
123.04408	1.0
123.05566	0.4
123.07172	0.7
123.08060	11.1
123.10919	0.5
123.11706	5.0
124.03973	0.4
124.07659	1.7
124.08652	1.7
124.09501	0.4
125.07011	0.4
128.00140	0.3
128.02321	2.2
128.80836	0.3
128.98595	0.9
131.08569	1.0
133.06491	1.3
133.10115	7.2
134.05998	1.0
134.07121	0.9
134.10472	0.5
134.99654	1.4
135.05611	0.5
136.08810	2.4
137.02797	2.3
141.05444	1.1
146.97441	2.3
146.99657	2.1
151.02846	0.6
151.03885	5.7
151.05023	2.4
151.07599	8.4
151.09828	5.5
151.11163	100.0
152.01624	1.4
152.03391	0.5
152.05670	1.0
152.07037	3.1
152.08153	1.1
152.11559	4.7
153.00682	0.4
153.04019	0.5
165.00688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.24524	0.5
51.86066	0.4
53.03939	1.6
53.08572	0.4
55.01869	2.4
55.05506	3.6
56.05024	0.8
56.96568	2.3
57.03431	1.3
57.07071	1.9
59.04996	1.6
61.02935	0.5
65.03931	1.7
67.05160	1.0
67.05499	11.2
68.05006	2.6
69.03430	2.4
69.07072	2.9
70.06586	0.9
71.05002	0.6
71.47929	0.4
71.59857	0.8
79.05487	10.1
80.05004	1.0
81.03407	2.1
81.04559	0.7
81.05805	2.7
81.07050	27.4
82.06577	1.0
83.00791	0.5
83.04993	0.8
83.06100	0.9
91.05474	9.7
93.07038	5.9
94.06560	1.8
95.01326	1.1
95.04961	7.0
95.08602	7.7
96.04496	1.0
96.05714	0.6
96.08125	12.8
96.08754	0.7
97.06521	1.3
97.07595	0.5
98.97585	1.2
101.00767	0.6
103.05443	0.6
105.07024	13.7
106.06538	2.1
106.07303	0.7
107.04941	1.3
107.06101	0.7
107.08585	7.1
108.02084	0.7
108.05688	1.0
109.02871	1.1
109.05316	1.1
109.06506	15.3
109.07632	0.8
109.10144	10.3
110.01292	0.5
110.03706	0.5
110.06030	1.0
110.07165	4.5
111.07941	8.7
116.48106	0.5
116.98614	1.1
119.01815	0.8
119.04924	1.9
119.05878	0.6
121.06515	1.1
121.10117	2.1
121.52097	0.5
122.07206	0.5
123.04451	0.7
123.08060	8.0
123.11697	4.3
124.07581	64.7
128.02295	0.9
128.31793	0.5
131.08569	0.9
133.06450	0.5
133.10141	5.5
134.06036	1.3
134.07033	0.9
134.99675	0.9
135.08121	0.5
136.08835	1.9
141.05511	0.7
146.97473	0.9
146.99634	0.8
151.02878	0.6
151.03882	4.1
151.05005	1.4
151.07611	6.4
151.09859	4.6
151.11166	100.0
152.01662	0.6
152.05836	1.0
152.07042	16.0
152.08118	0.8
152.11517	5.0
169.26184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.02379	0.6
53.03944	1.2
54.03471	0.6
55.01873	1.7
55.05510	1.7
56.05031	1.3
56.96564	9.2
57.03429	1.8
58.06590	0.5
60.04499	0.4
63.02346	0.3
65.03938	6.4
65.10986	0.3
67.02981	0.4
67.05501	5.9
68.05024	3.0
68.94344	0.9
68.96328	0.3
69.03423	1.3
69.04546	0.4
69.07065	0.6
70.06599	2.2
70.09009	0.5
70.09404	0.7
71.01355	0.4
71.05024	0.4
72.08125	0.4
72.93790	1.4
73.02914	1.7
73.04015	0.5
73.93852	0.3
74.97604	0.4
75.05605	1.1
77.03905	0.3
79.05489	4.5
80.05006	0.9
80.05836	0.4
80.06269	1.0
81.03421	2.0
81.04536	0.6
81.05781	0.6
81.07062	5.5
82.06168	0.3
82.06569	1.6
83.04975	1.2
83.06080	1.6
84.04471	0.3
84.06445	0.3
84.08138	1.4
84.96000	0.4
85.02905	1.4
86.03683	0.4
87.02641	0.3
87.05589	1.1
89.00780	0.4
89.06052	0.3
90.01558	0.6
90.94823	1.1
91.05478	100.0
92.03500	0.3
92.05257	0.4
92.05800	2.8
92.90083	1.4
93.04493	0.5
93.07060	2.0
94.06577	1.1
95.04967	11.3
95.06087	1.1
95.07389	0.3
95.08622	3.1
96.01560	0.4
96.04461	0.8
96.06873	0.4
96.08135	1.6
97.02895	0.8
97.07681	1.7
97.08205	0.3
98.01290	0.5
98.20864	0.4
98.97585	3.2
99.02019	0.4
100.02465	0.4
103.05486	1.0
104.01242	0.3
105.02094	0.4
105.03393	0.8
105.04513	0.3
105.07021	5.7
106.02895	0.3
106.06547	1.6
106.07355	1.4
107.04969	1.5
107.06078	1.3
107.08601	1.6
108.02111	0.4
108.05725	1.6
108.08092	0.7
109.02860	1.0
109.06512	2.6
109.07627	2.5
109.10143	1.3
110.01269	1.6
110.06036	0.8
110.07185	2.0
110.07893	0.6
110.97575	0.5
111.04433	0.8
111.05582	0.3
111.06802	0.6
111.07971	3.8
111.08649	0.4
111.09232	0.6
112.06334	0.4
112.10004	0.4
115.97860	0.4
116.00188	0.5
116.97247	0.4
116.98623	2.9
119.01825	2.3
119.04939	45.3
120.05280	1.2
121.06470	0.4
121.08480	0.4
122.07132	0.6
123.04418	2.1
123.05533	0.7
123.06342	0.3
123.08069	4.2
123.09153	0.9
123.11698	0.7
124.03929	1.0
124.07588	1.8
124.08685	1.3
124.09525	0.6
125.07098	0.4
127.04027	0.3
128.02322	3.0
128.98587	1.6
130.67368	0.3
131.97446	0.4
132.95836	0.9
133.06483	1.1
133.07605	0.7
133.10123	0.9
134.06012	1.1
134.07132	1.6
134.99658	2.6
135.04477	0.8
135.05550	0.7
135.09157	0.7
136.05191	10.1
137.02815	3.2
137.05981	5.9
139.53082	0.3
141.05440	0.5
143.01933	0.4
146.97456	2.4
146.99638	3.6
147.04997	0.4
149.01190	0.3
150.96867	2.7
151.02841	0.5
151.03908	3.9
151.04996	0.9
151.07538	38.6
151.08591	2.3
151.09753	1.3
151.11292	2.6
151.13098	1.2
151.93800	0.8
152.01640	0.7
152.03516	0.4
152.05652	2.7
152.07039	2.7
152.08160	1.3
152.10704	0.7
152.11827	1.3
153.04085	0.7
158.01227	0.4
158.99675	0.5
159.03369	0.4
160.07436	0.3
161.02968	1.2
165.00705	0.9
168.97958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0582
Annotation	L-Methionine
Peak:m/z	Relative Intensity
50.39341	0.2
55.01857	0.4
56.05029	100.0
56.96557	1.5
57.03440	1.2
57.05367	1.6
58.99580	0.8
61.01143	58.8
62.01475	0.7
65.03950	0.3
67.05484	0.4
70.65428	0.5
72.93771	0.3
74.02430	6.1
74.05647	0.4
74.06069	7.6
74.06473	0.5
74.99060	0.7
75.02699	0.8
77.00613	0.6
79.05479	0.3
80.06785	0.2
84.04494	2.8
85.01129	0.4
85.02897	2.9
87.02682	13.6
89.04254	0.3
91.05471	0.4
93.78029	0.2
94.06551	0.4
95.04923	0.3
98.97547	0.6
100.02491	0.8
102.04840	0.5
102.05533	18.7
104.05315	59.7
105.00072	1.4
105.03738	1.5
105.05667	1.0
105.07014	1.7
111.54004	0.3
112.04777	0.2
115.02341	0.3
116.98615	0.2
118.03511	0.8
119.01849	0.4
120.54491	0.3
122.03178	0.3
122.06022	0.6
123.07991	0.3
128.02286	0.2
133.03171	37.6
134.03503	1.1
137.02756	0.4
138.54137	0.4
144.99792	1.0
145.03453	1.5
150.02661	0.9
150.05843	3.9
150.07727	8.9
150.08904	0.4
150.11232	0.3
151.07581	0.3
163.04427	0.4
169.03363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0751
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
53.03930	2.5
55.01862	3.5
55.05508	5.9
56.96298	1.2
56.96561	16.4
57.03425	4.1
57.07056	0.8
59.31138	0.8
64.30990	1.0
65.03929	3.2
66.78979	0.8
67.05500	29.4
68.05010	1.4
68.45307	1.0
68.93574	1.0
68.94338	1.8
68.95274	4.1
68.96328	2.0
69.03425	6.8
69.07052	2.1
70.77771	2.1
70.78146	2.1
73.02885	3.0
77.00771	1.6
77.03908	1.1
79.05484	18.3
81.03410	4.3
81.06572	2.1
81.07049	41.0
82.07362	1.2
83.04964	1.8
83.06079	1.1
85.02896	1.6
86.97341	1.1
89.00745	1.4
90.01529	1.6
91.05467	9.1
92.01295	0.9
93.07038	12.9
95.04950	12.8
95.08596	39.4
96.01536	1.8
96.04466	1.2
96.08092	1.4
98.01273	1.7
98.97583	4.3
101.00727	1.4
103.05443	3.3
105.02061	0.9
105.04482	1.1
105.07014	24.8
106.06600	1.5
106.07343	2.6
107.01824	1.0
107.04947	8.1
107.08585	7.2
108.05739	12.4
109.02862	3.1
109.06520	10.2
109.10137	10.3
110.01248	4.7
110.06010	1.3
110.07143	4.1
111.03142	0.9
111.07930	7.6
115.97793	1.0
116.48141	4.5
116.98607	4.0
119.01794	8.0
119.04935	1.1
121.06509	6.7
121.10048	0.9
121.52084	0.9
122.07270	20.5
123.04511	1.7
123.08055	100.0
123.11644	5.3
124.07545	2.8
124.08475	3.6
125.48657	1.4
127.03880	1.1
128.02306	7.3
128.98607	2.7
129.03084	1.6
130.52553	2.5
133.06497	10.9
133.10103	4.6
134.05975	1.7
134.99641	4.6
136.08833	1.1
137.02829	4.6
139.53043	1.9
146.97443	5.5
146.99635	5.7
151.02777	2.3
151.03889	6.3
151.04970	1.9
151.07527	56.7
151.08455	2.2
151.09755	3.4
151.11140	21.0
151.12340	1.9
152.01636	2.2
152.03293	1.0
152.05901	1.4
152.06871	4.7
152.08084	1.6
163.04059	0.9
164.04239	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	150.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
53.40068	0.3
55.01878	0.6
55.05512	0.5
56.05030	100.0
56.96567	2.3
57.03430	1.4
57.05367	1.1
58.99584	1.0
61.01145	66.1
63.02718	0.8
63.63126	0.4
66.04291	0.5
67.05489	0.6
70.98151	0.4
71.04981	0.7
71.58350	0.7
74.02435	6.3
74.06071	7.3
74.99067	0.4
75.02706	0.9
77.00613	0.4
79.48624	0.4
81.03378	0.4
81.85137	0.4
84.04509	3.3
85.01137	0.8
85.02902	3.3
85.11536	0.4
87.02686	13.8
91.02216	0.6
93.07034	0.4
94.06541	0.8
95.04984	0.6
96.12880	0.4
98.97572	0.7
99.03820	0.6
100.02457	0.5
102.05535	15.1
104.05321	53.3
105.00082	0.6
105.03721	1.4
105.05672	0.7
106.02843	0.9
109.05064	0.7
110.01289	0.9
115.03399	0.4
116.98599	0.8
117.53656	0.4
119.01841	1.1
121.01704	0.6
122.03204	0.8
122.06006	0.8
123.07932	0.5
128.02304	0.7
132.06538	0.6
133.03178	36.1
134.03500	1.0
137.02812	1.0
144.75980	0.4
144.99817	0.6
145.03470	1.8
150.02670	1.7
150.05916	3.0
150.07732	15.4
151.04195	0.5
152.27197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0549
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
51.02379	0.4
53.03941	5.7
55.01864	1.5
56.05030	2.9
56.96558	2.5
57.03432	0.7
58.06601	0.5
61.01146	1.4
65.03939	6.4
66.04255	0.6
67.05499	37.4
68.05016	1.4
68.05839	0.6
71.34437	0.7
72.04525	0.4
72.93781	2.6
73.02911	0.8
74.02443	1.1
75.03249	0.4
76.04015	0.4
77.03911	0.6
79.05484	5.4
80.05011	1.0
81.03399	1.6
82.06576	0.8
83.06078	0.4
84.08132	1.0
85.02924	0.6
89.94096	0.4
90.90395	1.0
90.94831	1.3
91.05480	5.4
91.52103	0.8
93.05763	2.1
94.06562	88.6
95.04971	4.5
95.06087	1.2
95.06877	2.1
95.08578	0.5
96.04478	2.2
97.10581	0.3
104.05318	1.3
105.04527	0.4
105.07017	4.8
106.06548	24.0
108.04511	0.4
108.08150	0.4
108.95847	0.6
109.05272	0.6
109.07652	2.9
110.06023	0.4
110.07197	0.5
110.08411	3.2
111.94012	0.4
112.72484	0.4
119.01769	0.4
119.04935	2.6
122.03215	1.2
122.06022	45.4
123.06371	1.5
123.07954	1.9
123.09150	2.5
126.59511	0.8
128.02353	0.7
132.04390	0.4
133.03197	1.2
133.04993	0.7
133.07629	0.8
137.02859	0.5
138.54103	1.1
148.03889	1.7
149.94051	0.9
150.02991	2.2
150.05495	100.0
150.10199	4.2
150.12778	1.1
150.96866	0.6
151.04999	0.4
151.05893	4.0
151.07478	2.4
164.02321	0.6
168.06551	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	149.1323
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03933	3.3
55.01855	4.1
55.05506	7.6
56.96550	2.4
57.02401	0.9
57.07061	2.1
65.03935	60.4
66.04276	2.2
67.05507	5.3
67.93566	1.2
69.03413	1.2
69.07062	8.6
71.53605	0.9
71.59850	1.8
77.68560	1.2
79.05486	21.2
81.04528	2.0
81.07048	9.8
83.08601	1.0
91.05473	25.4
93.03407	13.4
93.07034	32.3
94.06551	2.4
95.04954	6.1
95.08608	2.1
98.03658	3.0
102.37373	1.0
103.05444	5.8
105.03406	1.7
105.04475	2.1
105.07025	37.2
106.07285	1.4
107.04980	1.7
107.06069	1.1
107.08585	40.4
107.24663	0.9
108.04509	1.0
108.08915	1.7
109.06477	4.8
110.08438	2.7
111.03931	1.4
111.04469	12.2
112.04736	1.2
112.96564	1.0
116.06203	2.9
119.08569	8.9
120.09370	1.9
120.73239	1.4
121.02856	61.2
121.03958	13.2
121.06487	5.6
121.10130	72.4
122.03195	3.0
122.06052	1.2
122.07108	4.3
122.10480	3.4
123.08039	7.0
126.05396	1.2
129.07002	1.2
131.04906	2.9
131.08562	3.1
133.07594	2.1
133.10120	3.1
134.10912	2.8
139.39661	1.0
140.08173	2.0
143.18340	1.0
145.93422	1.0
149.02332	100.0
149.06030	5.2
149.07059	1.8
149.08223	3.5
149.09602	13.4
149.12195	1.1
149.13255	13.9
150.02681	7.3
150.03737	1.4
150.05498	2.3
150.09106	1.7
150.10245	4.3
167.02098	1.0
167.03397	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.05129	1.1
53.03940	6.4
55.01856	2.6
55.05507	17.3
56.96560	7.8
57.07049	1.7
65.03937	48.8
66.04274	1.4
67.05501	10.7
67.93568	1.5
68.30016	1.1
69.07059	16.3
70.42648	1.1
70.75906	1.3
71.49255	2.5
76.68038	1.1
79.05489	50.9
80.05846	1.7
81.07050	34.6
82.07378	2.4
82.71679	1.1
83.04945	1.5
83.08606	1.8
91.05470	37.9
93.03401	11.0
93.07034	100.0
94.06564	2.3
94.07366	3.4
95.04972	10.5
95.08581	8.7
98.03676	2.0
103.05457	4.2
104.03094	2.7
105.03384	1.7
105.04488	2.8
105.07023	16.6
107.04945	3.1
107.08582	66.7
108.08921	3.2
109.06489	6.2
111.04442	10.7
119.06064	1.9
119.08543	1.3
121.02854	45.2
121.03966	11.7
121.06487	4.3
121.10133	23.1
122.03217	2.3
122.06028	1.3
122.07128	2.2
131.04916	2.9
131.08548	3.0
132.73177	1.1
135.05667	1.8
142.49844	1.1
147.11656	1.4
149.02333	80.4
149.05992	2.0
149.08482	1.3
149.09570	5.7
149.13248	25.9
150.02676	6.1
150.03770	1.8
150.05432	2.3
150.07906	1.4
150.09116	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	149.1323
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03933	3.8
55.01873	4.5
55.05505	6.6
56.96539	2.3
57.07053	3.2
61.01131	0.8
65.03934	59.3
66.04270	2.2
67.05493	9.8
68.05044	1.0
68.99770	1.2
69.03411	0.9
69.07065	7.3
70.90047	2.5
77.03917	1.1
79.05488	27.6
80.05005	1.7
80.05786	0.8
81.03412	1.5
81.04505	2.1
81.07048	19.6
83.04983	1.1
83.08607	1.4
91.05467	23.0
92.05813	0.9
93.03387	13.0
93.07033	40.0
94.06543	2.1
94.07333	2.0
95.04966	6.9
95.06088	1.4
95.08606	4.8
98.03656	2.9
102.59373	0.8
103.05460	7.1
105.04513	1.4
105.07020	38.2
106.07243	0.9
107.04956	2.8
107.06081	1.1
107.08582	46.0
108.04456	1.9
108.05606	1.2
109.06487	3.6
109.07618	3.6
110.08398	3.3
111.04441	13.9
112.04758	1.0
115.05454	1.1
116.06248	1.8
119.06052	0.9
119.08590	10.0
120.09371	2.0
121.01561	1.1
121.02853	60.6
121.03959	13.6
121.06475	5.3
121.10129	63.7
122.03198	3.8
122.06051	2.0
122.07128	5.9
122.10462	4.0
123.08061	6.0
123.08900	0.9
123.09193	0.8
131.04903	5.0
131.08551	3.3
133.07593	2.3
133.10132	2.2
134.07202	1.4
134.10889	2.9
140.08134	1.1
149.02332	100.0
149.05914	5.3
149.08208	4.5
149.09602	14.2
149.13240	18.2
150.02699	6.1
150.05486	2.9
150.07744	1.0
150.09125	1.7
150.10205	3.9
167.03293	2.2
169.03535	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	149.096
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
53.03947	7.4
55.01853	4.2
55.05494	4.0
65.03930	12.4
69.03429	7.2
69.61280	8.8
77.03944	1.9
79.05489	30.9
81.07046	3.8
91.05473	98.6
92.05795	4.9
93.03385	2.0
93.06470	2.4
93.07039	40.8
95.04958	11.6
96.05298	1.2
98.20710	1.6
103.05444	13.9
105.07022	72.5
106.07787	4.7
107.04940	2.8
107.08580	3.4
109.06509	7.7
115.05446	17.2
116.06231	43.3
117.06567	2.5
119.06097	1.4
119.08572	10.6
121.02854	10.6
121.03963	2.1
121.06489	27.9
121.10133	52.6
122.06796	1.3
122.10427	2.4
123.08054	9.7
128.06233	3.2
129.06982	13.7
131.08563	37.7
132.08908	2.6
133.06482	3.9
133.07582	3.3
134.07263	8.9
147.08031	5.3
149.02357	16.8
149.05980	2.4
149.09608	100.0
150.09976	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	147.1166
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03923	2.8
55.01853	2.4
55.05504	14.5
56.96546	4.1
64.13759	1.1
64.92796	8.3
64.95515	1.2
65.03939	6.5
67.05492	5.3
69.03405	4.0
69.07050	4.3
79.05491	12.9
81.07027	3.8
83.06885	2.7
84.04475	3.4
84.08135	1.5
87.95313	1.1
91.05472	90.8
92.04958	1.9
92.05805	5.3
93.07009	5.1
95.04950	3.7
95.06208	1.2
101.07935	3.1
103.05449	7.7
104.06236	2.8
105.07018	87.8
106.06569	2.0
106.07346	3.5
107.04942	12.8
107.08570	3.4
115.05466	1.9
116.06214	1.0
117.07021	14.0
118.06516	1.5
118.07805	1.5
119.04096	2.0
119.04927	27.0
119.08566	100.0
120.04455	3.3
120.05276	1.4
120.08119	2.2
120.08898	6.7
123.96433	12.6
128.06221	2.6
129.06973	4.5
130.02887	2.6
130.04028	0.9
130.06483	6.8
131.04901	1.5
131.08582	1.6
132.05701	6.3
132.06662	1.1
132.09311	3.6
145.10155	5.2
147.04382	19.0
147.05521	9.4
147.06155	1.1
147.06647	2.1
147.08031	31.5
147.09145	2.5
147.11667	36.6
148.03859	7.7
148.07510	3.9
148.08556	2.8
148.12067	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	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03941	0.6
55.01865	0.8
55.05510	3.7
56.96554	0.7
59.94226	0.6
64.92802	0.7
65.03939	9.3
67.05495	1.0
69.03410	1.1
69.07043	0.8
71.49422	0.8
71.49764	0.8
77.03926	0.6
78.04264	0.6
79.05484	3.9
81.07060	1.2
84.04490	3.6
84.08134	0.9
84.64837	0.6
88.03995	0.6
91.05474	100.0
92.04991	2.5
92.05804	5.3
93.07033	2.1
93.45074	0.5
95.04958	1.9
95.46297	0.5
102.04662	0.7
102.05521	0.6
103.05434	3.3
104.06228	0.8
105.07021	29.5
106.07346	1.1
107.08575	4.6
110.02773	0.7
114.93665	0.6
115.05439	1.6
116.06237	2.0
117.07004	8.2
118.06521	0.7
119.04936	66.0
119.06818	1.8
119.08570	46.9
120.04441	2.7
120.05296	3.8
120.08081	1.4
120.08923	2.6
123.96465	1.4
128.06242	1.1
129.07019	1.0
130.02907	1.3
130.04117	1.0
130.05034	0.8
130.06490	3.2
130.07845	0.7
131.08559	1.6
132.09352	3.6
143.47462	0.6
145.10104	4.3
147.04411	27.6
147.05507	2.2
147.08044	3.8
147.09143	1.2
147.10487	1.1
147.11678	21.6
148.03818	5.3
148.04848	1.6
148.07553	2.0
148.08672	1.7
148.12029	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	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01865	0.8
55.05510	3.7
56.96554	0.7
59.94226	0.6
64.92802	0.7
65.03939	9.3
67.05495	1.0
69.03410	1.1
69.07043	0.8
71.49422	0.8
71.49764	0.8
77.03926	0.6
78.04264	0.6
79.05484	3.9
81.07060	1.2
84.04490	3.6
84.08134	0.9
84.64837	0.6
88.03995	0.6
91.05474	100.0
92.04991	2.5
92.05804	5.3
93.07033	2.1
93.45074	0.5
95.04958	1.9
95.46297	0.5
102.04662	0.7
102.05521	0.6
103.05434	3.3
104.06228	0.8
105.07021	29.5
106.07346	1.1
107.08575	4.6
110.02773	0.7
114.93665	0.6
115.05439	1.6
116.06237	2.0
117.07004	8.2
118.06521	0.7
119.04936	66.0
119.06818	1.8
119.08570	46.9
120.04441	2.7
120.05296	3.8
120.08081	1.4
120.08923	2.6
123.96465	1.4
128.06242	1.1
129.07019	1.0
130.02907	1.3
130.04117	1.0
130.05034	0.8
130.06490	3.2
130.07845	0.7
131.08559	1.6
132.09352	3.6
143.47462	0.6
145.10104	4.3
147.04411	27.6
147.05507	2.2
147.08044	3.8
147.09143	1.2
147.10487	1.1
147.11678	21.6
148.03818	5.3
148.04848	1.6
148.07553	2.0
148.08672	1.7
148.12029	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	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03937	2.2
55.01861	1.6
55.05510	13.2
56.05019	1.2
56.05843	1.0
56.96550	3.6
64.92802	9.1
64.95533	1.1
65.03936	5.9
67.05496	3.5
69.03410	3.5
69.07045	3.5
69.56061	0.9
71.59906	1.3
74.97626	0.8
79.05486	7.0
79.18133	0.9
81.07059	2.7
82.06575	1.0
82.99363	1.0
83.06911	3.4
84.04498	3.6
84.08144	1.1
91.05476	73.0
92.05006	3.4
92.05807	4.3
93.07034	4.3
95.04956	4.1
100.07591	1.3
101.07935	2.1
103.05480	5.8
104.06276	1.3
104.90789	1.2
105.07024	100.0
106.06632	1.4
106.07359	4.1
106.92960	1.0
107.04918	3.2
107.08584	3.3
115.05453	1.5
117.07005	10.3
119.04939	27.7
119.08574	76.0
120.04453	6.8
120.05248	1.6
120.08108	2.4
120.08899	2.5
123.96448	13.3
129.07053	3.4
130.02885	2.9
130.06500	9.0
131.08554	2.1
132.09335	3.1
145.10167	6.4
146.98135	1.4
147.04388	22.1
147.05528	11.4
147.06505	2.6
147.07976	7.7
147.11674	65.4
148.03905	10.3
148.04913	2.2
148.07555	3.5
148.08597	1.3
148.12021	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	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03938	0.8
55.01864	0.6
55.05500	1.7
56.96571	1.0
64.92802	1.1
65.03938	9.7
67.05506	0.8
69.03412	1.1
79.05494	1.2
83.04945	0.4
83.06895	1.4
84.04489	0.7
91.05474	100.0
92.04973	0.5
92.05807	4.1
93.07066	0.9
95.04967	1.2
101.07937	1.4
103.05477	1.5
104.06238	0.5
105.04508	0.5
105.07027	13.3
117.06989	2.9
117.91656	0.4
118.06638	0.6
119.04934	87.2
119.08574	14.4
120.04434	1.4
120.05286	4.5
120.08082	0.6
120.08917	0.5
123.96456	2.3
129.07002	0.6
130.02919	0.8
130.06512	3.1
132.05710	0.6
132.09393	0.6
145.10124	1.3
147.04407	37.9
147.05479	3.2
147.08028	4.0
147.09119	0.7
147.11679	6.1
148.03908	2.0
148.04836	1.3
148.07529	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	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
65.03935	12.9
70.45705	0.4
71.58276	0.9
78.07915	0.4
84.04519	0.5
89.75532	0.4
90.10570	0.5
90.12569	0.4
91.05473	100.0
92.05821	4.0
119.04932	89.8
120.05265	3.6
129.04503	0.4
147.04399	29.8
148.04758	1.2
164.62119	0.5
168.19159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02382	0.4
65.03933	12.7
66.04248	0.4
70.06707	1.0
70.07115	0.9
84.04500	0.7
91.05475	100.0
92.05815	3.5
95.04971	0.6
105.07032	0.7
119.04935	87.1
119.08617	0.9
120.05276	3.9
145.00375	0.4
147.04405	29.3
148.04797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.13928	0.4
51.02370	0.4
54.06063	0.4
55.76589	0.4
65.03934	10.9
66.75167	0.3
70.94229	0.9
70.94545	0.4
80.35319	0.4
86.16853	0.4
91.05470	100.0
92.05820	2.9
95.04951	0.4
99.70033	0.4
119.04927	94.4
120.05244	3.1
142.46486	0.5
147.04393	36.7
148.04744	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.15575	0.4
62.57357	0.4
65.03941	13.2
71.18671	0.7
89.25111	0.4
91.05477	100.0
92.05806	3.8
95.04996	0.7
118.59016	0.5
119.04939	91.3
120.05267	3.0
125.36729	0.6
147.04404	32.3
148.04808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00335	0.3
53.03952	0.4
55.05512	0.3
65.03937	12.0
66.15060	0.3
70.48421	1.2
82.02917	0.3
82.91828	0.3
84.04496	0.7
91.05473	100.0
91.41031	0.3
92.04995	0.5
92.05251	0.4
92.05808	3.9
95.04958	0.6
95.73061	0.3
103.05487	0.4
105.07018	3.1
114.36430	0.3
116.73138	0.3
117.07011	0.6
119.04933	88.8
119.08587	3.0
120.04473	0.6
120.05264	4.6
121.07622	0.4
130.06526	0.5
132.17793	0.3
139.03940	0.3
147.04401	30.3
147.05319	1.1
147.11668	1.2
147.90788	0.3
148.03784	0.7
148.04895	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	146.0924
Annotation	4-Guanidinobutanoate
Peak:m/z	Relative Intensity
51.66069	0.5
52.62079	0.5
53.03937	0.8
55.05506	1.5
56.05017	2.4
56.96552	3.5
57.03408	1.1
57.76402	0.5
58.06582	0.7
60.05645	19.8
60.08163	5.4
64.99104	0.6
65.03941	3.0
68.05013	1.5
69.03425	11.3
69.87844	0.6
70.44441	2.3
71.04986	2.0
71.27442	0.6
72.08154	2.6
72.93822	0.6
74.97599	0.6
79.44196	0.7
82.06571	21.1
83.06098	3.4
84.04499	7.6
84.08154	3.9
86.06062	77.0
87.04460	100.0
88.04816	1.8
91.05476	27.1
97.02318	2.4
97.02884	0.6
98.97563	1.2
100.03960	1.4
100.07610	44.4
101.06028	0.8
101.07948	0.8
102.98451	0.7
104.07095	10.9
106.02829	3.3
111.05553	9.9
115.03368	1.2
116.98595	1.0
118.06535	0.9
119.04935	25.7
120.40591	0.6
127.38201	0.7
128.07220	1.0
128.08206	7.4
129.06622	2.1
130.05022	1.5
130.08545	0.7
131.00117	0.9
144.21700	0.6
145.01735	0.8
146.06029	1.7
146.08122	8.3
146.09254	34.7
146.11676	4.7
147.04385	9.3
147.05481	1.1
149.01219	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	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
56.05034	1.4
56.96553	1.3
57.03434	0.3
58.06593	1.4
60.05643	15.1
60.08157	19.6
67.04234	0.3
68.05027	0.9
68.65962	0.2
69.03425	5.9
69.07078	0.3
70.03805	0.3
70.06589	0.7
70.20480	0.5
70.20887	0.7
70.95325	0.2
71.04987	0.8
72.08148	10.7
77.00779	0.3
82.06570	11.0
83.04971	0.3
83.06102	2.4
83.06891	0.6
84.04491	3.1
84.08133	2.9
85.02900	0.4
86.06061	49.7
87.04459	100.0
87.06348	1.2
88.02677	0.3
88.04790	2.1
91.05481	0.9
97.02293	0.4
97.02876	0.4
98.97575	0.3
100.07608	26.1
101.07948	0.8
104.07095	9.1
105.05508	0.4
105.07403	0.3
106.02842	0.9
108.04206	0.3
111.05554	6.9
112.11237	1.9
112.99158	0.3
115.02477	0.3
115.03310	0.3
116.98599	0.3
119.01809	0.3
119.04900	0.7
128.07156	0.7
128.08186	5.1
128.98500	0.2
129.06604	1.4
129.13892	0.2
130.04987	0.9
131.00136	0.6
133.03474	0.3
134.99686	0.3
145.01695	0.2
145.03500	0.2
146.08095	5.8
146.09224	24.2
146.11732	11.1
147.05031	0.6
147.09550	1.0
147.12048	0.8
149.01181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0923
Annotation	4-Guanidinobutanoate
Peak:m/z	Relative Intensity
55.00002	0.6
56.05040	2.6
56.96558	1.8
58.06601	1.7
58.85218	0.5
60.05640	20.1
60.08157	6.5
62.99359	0.5
68.05021	1.3
69.03077	0.6
69.03429	8.6
70.31083	1.6
71.05002	0.7
71.75509	0.5
72.08148	13.7
77.00804	0.6
82.06565	8.4
82.07000	0.8
83.06110	2.7
84.04486	3.9
84.08137	3.6
86.06059	70.7
87.04458	100.0
87.06402	1.7
88.04798	2.0
91.05469	1.0
97.02345	0.6
98.97551	0.9
100.07607	19.7
101.07884	0.7
104.07090	10.3
106.02833	2.7
111.05550	10.8
112.11208	2.8
115.03369	0.6
116.98621	0.5
119.04944	1.6
128.08163	6.8
129.06590	2.2
129.13895	0.6
130.04996	0.5
131.00098	0.6
146.08138	3.3
146.09221	36.3
146.11693	3.0
147.09569	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	146.06
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
50.95206	0.7
55.05505	2.7
56.05038	2.2
57.03422	0.8
58.06592	2.8
65.03930	4.6
65.76314	0.7
71.15324	0.8
71.15672	1.6
72.05314	1.1
72.08144	8.2
74.02428	0.9
82.06574	9.6
84.04495	1.0
84.08138	1.7
86.06076	1.0
87.04446	0.7
91.05475	76.6
92.05774	1.0
100.04778	0.7
100.07603	12.8
100.11252	0.7
103.05463	1.2
112.11221	2.5
117.05773	6.2
118.06538	100.0
119.04939	41.5
119.06824	4.8
119.08580	1.1
123.96482	1.9
128.04019	1.7
128.04961	30.1
128.07040	1.7
129.05338	1.8
129.13928	0.9
146.06004	85.1
146.08070	4.7
146.11726	1.0
147.04424	16.7
147.05461	1.4
147.06351	3.1
156.46404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0811
Annotation	4-Acetamidobutanoate
Peak:m/z	Relative Intensity
50.51440	0.2
55.05497	0.4
56.05032	1.6
56.96568	1.0
57.03437	0.2
58.06601	1.3
60.05643	15.8
60.08158	12.7
61.02916	0.2
61.08494	0.3
65.03951	0.2
66.04263	0.2
67.04257	0.2
68.05013	1.3
68.18093	0.2
69.03425	7.2
70.06580	0.6
71.04971	0.9
72.08148	12.2
75.09248	0.4
76.07731	0.2
82.06571	11.9
83.04975	0.4
83.06100	2.1
83.06869	0.3
84.04497	3.9
84.08136	3.0
85.02906	0.2
86.06060	56.4
87.04459	100.0
88.03979	0.2
88.04786	1.5
91.05482	0.3
97.02325	1.3
98.20764	0.4
98.97560	0.5
100.07608	25.9
101.07950	0.6
101.32279	0.1
104.07095	10.6
105.02067	0.2
105.05479	0.4
105.07438	0.2
106.02849	1.6
111.05554	8.4
112.05907	0.2
112.11226	2.5
112.99157	0.2
115.03371	0.8
116.22824	0.2
116.98594	0.5
118.06492	0.4
119.01802	0.2
119.04894	0.6
124.88984	0.2
128.07097	1.0
128.08183	6.6
128.10732	0.2
129.06595	1.5
129.13866	0.5
130.05006	1.2
130.08583	0.3
131.00148	0.6
136.85686	0.2
145.01726	0.2
146.06029	0.6
146.08087	5.7
146.09209	29.2
146.11725	9.3
147.09544	0.7
147.12100	0.2
149.01163	0.6
157.03287	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
53.11047	0.8
55.01860	0.8
55.05503	4.0
56.05021	1.1
57.03421	1.2
62.92988	11.9
67.05479	2.1
69.03429	0.9
71.04993	4.4
72.04509	1.6
74.02428	3.0
79.05516	1.8
80.05027	0.6
81.03416	1.0
82.06571	15.1
85.02886	2.0
87.04453	1.6
91.05477	14.3
95.04954	0.7
95.24741	0.6
97.02876	0.7
99.04453	10.6
100.03971	1.1
100.07603	16.8
103.05470	3.7
104.71734	0.6
105.07023	83.4
106.07351	3.1
110.30597	0.6
115.05442	9.4
116.06219	3.0
117.07010	29.4
118.06528	4.7
118.07334	1.8
121.96628	19.2
127.03922	2.1
128.06201	7.9
128.07076	2.7
129.07002	12.4
130.07779	50.9
131.08134	1.8
143.08580	9.2
144.98225	2.6
145.06493	2.4
145.08350	2.7
145.10110	100.0
146.06004	6.5
146.08090	5.9
146.10498	5.3
147.08044	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93146	0.6
52.36284	0.6
53.03950	3.7
55.01859	2.1
55.05260	0.7
55.05505	7.5
55.58169	0.7
56.05037	3.3
56.96554	2.7
57.03426	1.7
62.92675	0.8
62.92985	12.0
63.14503	0.6
64.31229	0.6
65.03938	0.8
67.05490	1.7
69.03426	1.0
69.60594	0.6
69.80973	2.7
69.81386	1.2
71.01343	0.9
71.04992	9.0
72.04499	1.4
74.02441	5.3
79.05482	2.5
81.03400	2.8
82.06573	29.6
82.07066	1.4
84.08126	0.6
85.02908	3.2
86.03217	0.6
86.06053	0.7
91.05473	17.2
92.05805	0.9
95.04993	0.8
97.00809	1.2
97.02873	0.8
99.03833	1.0
99.04455	21.2
100.04742	1.1
100.07610	26.1
103.05465	3.7
105.07024	78.6
106.07349	2.8
115.05444	9.1
116.06258	1.3
117.05746	1.0
117.07011	26.5
118.06528	11.0
118.07359	3.0
121.96633	20.3
122.96407	0.6
123.02232	0.6
127.03913	2.8
128.04951	1.2
128.06197	5.6
128.07077	4.8
129.06998	11.6
130.07780	46.0
130.57721	0.6
131.08141	1.9
137.98393	1.1
139.01775	1.2
143.08551	9.8
144.07620	1.7
144.98195	2.3
145.03877	1.2
145.04987	2.1
145.06497	2.4
145.08482	7.9
145.10112	100.0
146.06001	8.4
146.07050	1.3
146.08083	9.1
146.10449	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	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01863	2.5
55.05491	3.4
55.49452	0.8
56.05021	1.5
56.96544	2.1
57.03423	2.2
59.28990	0.6
62.92982	16.1
67.05487	2.4
69.03416	1.9
70.98527	1.4
70.98890	1.5
71.01344	0.7
71.04993	9.2
72.04527	1.3
74.02428	4.3
78.61150	0.8
79.05488	4.4
81.03419	3.9
82.06571	18.4
85.02899	5.2
86.06084	0.9
86.49030	0.7
91.05474	21.9
92.05815	1.0
95.04957	1.5
97.00748	1.0
97.02890	1.8
99.04449	19.2
100.03952	1.6
100.07606	25.2
103.05449	3.4
103.95578	1.5
105.07020	85.0
106.07344	2.4
115.05432	13.0
116.06222	1.7
117.07005	31.9
118.06547	8.3
118.07314	1.6
121.96632	22.5
122.96488	0.8
127.03024	0.8
127.03893	3.0
128.04980	2.0
128.06207	8.2
128.07060	1.6
128.97842	0.9
129.06996	12.3
129.54939	0.8
130.07779	52.0
131.07205	1.1
131.08102	1.7
139.01790	1.8
140.00381	0.9
143.08566	9.6
144.98198	2.5
145.03886	0.8
145.04942	1.2
145.06541	3.8
145.08345	3.2
145.10106	100.0
146.05992	8.0
146.07037	1.3
146.08092	8.3
146.10524	4.0
155.06000	1.0
161.26659	0.8
164.03313	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
53.66553	1.0
55.01850	3.6
55.05513	1.3
56.96565	6.4
57.03423	3.8
59.04990	1.0
60.89461	1.1
62.92680	1.5
62.92988	22.9
67.05488	2.9
69.03423	3.5
69.79596	6.7
71.04986	16.5
72.04480	1.0
72.08126	1.5
74.02433	3.7
79.05486	3.0
81.03416	5.9
82.06576	8.6
83.04993	1.2
85.02893	6.9
86.06059	2.7
90.57834	0.9
91.05479	19.4
95.04938	1.2
97.00820	1.6
97.02877	2.9
99.04449	36.4
100.03972	1.4
100.07610	16.9
101.02342	1.1
103.05449	4.2
103.95604	1.5
105.07023	87.8
106.07348	3.1
113.88383	1.2
115.05443	15.0
116.06247	2.2
117.05760	1.4
117.07007	32.1
118.06567	10.6
118.07330	2.4
121.96632	37.4
122.03076	2.2
122.96467	1.7
127.03915	6.4
128.04987	1.4
128.06204	8.9
128.07108	2.1
129.07002	13.7
130.07777	52.0
131.08096	1.4
137.98337	2.3
139.01823	2.5
143.08554	11.2
144.98192	3.1
145.03909	1.8
145.05051	3.8
145.06482	5.7
145.07648	2.3
145.10115	100.0
146.06003	11.7
146.08064	5.7
146.10406	5.2
149.49155	1.4
155.06076	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	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01857	1.9
55.05508	4.1
56.05014	2.3
57.03416	2.6
60.90754	0.7
62.92682	1.0
62.92983	15.2
67.05505	3.8
69.03413	2.4
71.01304	0.9
71.04985	8.9
71.60139	1.2
72.04501	1.7
72.08140	1.7
74.02433	4.8
79.05483	3.7
81.03394	3.4
82.06571	20.3
85.02883	6.6
86.06065	1.6
91.05473	25.3
93.01329	0.8
95.04946	1.5
97.02863	4.0
99.04451	23.2
100.03989	1.0
100.07609	26.7
103.05455	5.4
105.07020	84.3
106.07359	3.0
115.03849	0.8
115.05437	14.7
116.06281	4.1
116.06895	0.7
117.07006	44.8
118.06518	8.5
118.07333	2.4
121.96628	26.2
127.03904	4.0
128.04996	2.2
128.06204	8.6
128.07069	2.9
129.07008	15.1
130.07777	48.6
131.08131	2.3
137.98344	1.3
139.01775	1.1
143.08546	12.3
144.98195	3.3
145.03914	1.2
145.04976	2.7
145.06474	5.4
145.08513	4.3
145.10109	100.0
146.06023	8.7
146.08104	7.7
146.10464	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	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
54.00334	0.8
55.01865	3.7
55.05491	2.9
56.05038	7.8
56.96544	4.5
57.03435	37.8
57.04552	1.3
57.05819	0.9
57.07060	0.8
58.02947	1.4
58.06585	3.5
59.06123	11.8
60.04519	6.9
60.95840	3.8
61.92847	1.4
62.92995	8.2
65.00520	0.9
67.01879	0.8
67.05495	1.6
68.05021	2.8
69.03423	5.4
69.07068	1.4
69.71993	0.7
70.03767	1.1
70.06589	85.5
70.09602	2.3
70.10012	1.8
71.01333	0.8
71.04640	1.5
71.04992	15.0
71.06107	1.5
72.04515	2.9
72.08139	2.9
74.06052	2.6
75.94585	1.1
78.99777	1.5
80.05003	0.9
81.03413	6.8
81.07061	2.0
82.06570	4.6
83.01328	1.4
83.06096	3.9
83.08621	1.0
84.04499	8.7
84.08148	10.9
85.02902	25.7
85.03997	4.4
85.06538	1.3
85.07663	4.6
86.06066	7.8
87.04453	1.3
88.07600	1.9
89.07442	0.8
91.05475	4.6
97.00803	8.3
97.02881	3.5
97.06528	2.2
97.07641	3.3
98.06041	11.2
98.09707	7.0
99.04452	36.2
99.05557	3.0
99.08087	1.1
99.09263	1.0
99.81065	0.9
100.07568	1.1
101.07155	4.0
102.05569	1.3
102.96881	2.8
103.05457	4.1
103.08688	0.9
104.07140	1.2
109.07632	6.7
110.06029	2.4
114.05547	1.2
114.06563	1.0
115.05459	10.1
116.04936	1.2
116.07124	0.9
117.05735	3.8
117.07012	23.5
118.06524	0.8
120.02027	2.1
120.96533	2.0
120.97919	6.2
121.00766	4.2
121.01662	3.6
121.96635	17.0
126.02741	0.9
126.03854	0.7
126.05508	3.2
126.09143	1.8
126.10184	0.7
127.03906	5.3
127.08711	4.3
127.09909	1.5
128.04987	1.3
128.06206	0.9
134.99672	1.6
138.03156	1.9
138.98958	9.5
139.01807	18.4
139.02693	1.0
143.07303	16.3
144.03764	8.3
144.06601	5.4
144.08080	100.0
144.10173	4.6
144.11238	1.7
144.13799	1.2
145.03896	1.1
145.05000	2.3
145.06506	7.8
145.08429	6.1
145.09869	2.8
155.06033	3.3
156.99983	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20967	2.2
70.09451	10.2
98.20845	3.1
101.00851	13.3
109.42130	2.5
109.47565	2.2
118.03493	12.2
119.01918	100.0
124.02494	2.2
124.33619	2.7
124.49489	2.3
131.42435	2.5
136.04541	9.5
137.02957	45.2
138.02960	2.9
142.03499	18.0
160.04532	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	139.0754
Annotation	1-(4'-Hydroxyphenyl)ethanol
Peak:m/z	Relative Intensity
53.03949	6.1
54.03460	1.2
55.01864	2.2
55.05502	2.2
56.03770	0.7
56.05036	5.5
56.96561	27.5
57.04538	1.1
57.93563	4.4
58.02940	0.7
58.06587	1.3
59.06101	2.1
60.04503	0.8
60.68982	0.7
65.03931	2.4
65.54977	0.6
67.05502	3.2
68.05035	1.7
68.99769	1.2
69.03424	3.5
69.07068	1.4
70.06580	1.8
71.06059	1.4
71.66872	0.6
71.95247	2.9
72.04487	0.7
77.03922	1.8
78.04671	1.0
79.05470	1.5
80.04990	1.0
81.03413	1.4
81.04530	2.4
81.07035	1.4
82.02924	1.3
82.06572	0.6
83.04971	1.8
83.06102	3.4
83.08612	1.0
84.04488	1.8
91.05476	30.9
92.05804	1.0
93.03410	0.8
93.07036	32.2
94.07362	1.0
95.04960	18.0
95.06073	2.7
95.08582	1.6
96.04510	0.8
96.05701	4.1
97.02879	1.0
97.04042	0.8
97.06481	3.4
97.07639	2.0
98.07187	7.9
98.97574	34.8
98.98428	1.4
99.05587	3.0
103.05440	1.7
105.04480	3.9
106.93178	0.6
109.06528	0.7
111.04438	2.4
111.05593	0.8
111.08063	4.4
111.09168	1.0
112.07566	0.7
112.08714	2.7
113.07140	1.8
116.00213	0.7
116.97305	9.0
116.98608	49.2
121.02850	1.9
121.06497	100.0
122.06981	4.7
123.04468	6.1
123.05453	5.2
124.05200	85.0
125.05550	3.5
134.99649	51.2
137.05978	1.6
139.03906	2.1
139.05983	3.8
139.07535	68.7
139.09721	5.6
139.12277	0.7
140.00151	1.2
140.07010	0.9
140.08142	9.0
141.06598	2.2
148.96201	0.8
153.00690	11.3
158.01292	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02369	1.3
52.45796	1.1
53.03936	4.9
54.03454	1.0
54.14367	1.2
55.01855	3.9
55.05510	14.2
55.93524	3.0
56.05022	1.5
56.96559	2.8
65.03944	8.1
66.04718	9.4
67.05502	85.3
68.05017	1.9
68.05826	2.4
68.44270	1.1
69.03416	4.5
69.04539	2.1
69.07066	7.3
71.60233	1.5
72.04507	2.3
77.03924	2.0
79.05488	18.7
81.03407	3.6
81.04527	2.8
81.07053	38.1
82.06556	1.8
82.07372	2.1
91.05482	29.5
92.05802	2.4
93.07046	12.6
94.02927	1.7
94.04182	53.7
94.06535	2.7
94.07830	1.6
95.04443	2.1
95.04977	21.0
95.06046	1.2
95.08601	28.5
96.04489	2.4
96.05647	2.9
96.08934	1.3
97.05502	1.1
97.06379	9.6
97.07641	1.7
98.04808	2.4
103.05489	1.3
105.07030	1.4
107.04935	10.6
107.08595	4.3
108.05710	1.1
109.06516	15.7
109.07639	1.4
109.10150	41.4
109.71272	1.1
110.06044	4.0
110.07184	8.5
110.07822	1.7
111.05538	3.4
117.07004	3.6
119.04934	3.6
119.08567	12.2
120.04446	3.4
121.02879	1.4
121.05684	1.2
121.06458	7.9
122.03645	71.9
122.06416	2.5
122.07272	36.5
123.03995	2.8
135.08034	1.7
137.02518	7.4
137.05969	100.0
137.08099	6.0
137.09615	71.4
137.10693	2.9
137.13161	1.2
138.05478	11.4
138.06480	5.0
138.09122	4.2
138.10052	2.8
146.96118	2.0
151.28220	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.00292	0.8
53.03950	4.3
54.03459	2.1
55.01853	3.2
55.05503	11.3
55.93522	1.7
56.03766	1.5
56.96558	1.2
57.03415	1.4
65.03926	7.5
66.04713	7.7
67.05497	76.1
68.05025	2.1
68.05833	1.7
69.03426	4.3
69.04541	2.7
69.07063	7.8
69.35293	9.5
72.04498	1.5
77.03918	1.3
79.05482	18.6
80.04984	1.5
80.05843	1.4
80.06285	1.6
81.03400	4.3
81.04546	5.7
81.07049	39.5
82.06562	3.0
83.04951	1.9
83.06083	2.2
89.17688	1.1
91.05471	30.2
91.45541	0.8
92.04992	1.5
92.05808	2.3
93.04512	1.2
93.07034	10.5
94.04175	51.5
94.06566	2.1
94.07824	2.1
95.04446	1.6
95.04971	14.5
95.06071	2.5
95.08595	23.9
96.04482	1.9
96.05602	3.1
96.06850	1.1
97.04025	1.3
97.06381	11.9
97.07682	1.4
98.04769	2.8
103.05460	1.4
107.04936	8.1
107.08596	4.5
108.05696	0.8
109.06506	12.8
109.07664	1.4
109.10148	32.0
110.06035	2.6
110.07150	10.5
110.09707	1.3
110.10439	1.1
111.05541	2.9
117.06991	3.3
119.04949	2.8
119.06055	1.1
119.08570	10.2
120.04448	1.1
120.05557	1.7
121.06503	3.9
121.07579	1.7
122.03636	64.9
122.07268	24.1
123.03954	3.4
123.06792	1.7
135.04366	1.2
135.07983	1.5
137.02486	5.3
137.05960	100.0
137.08052	6.4
137.09607	48.4
137.10675	2.5
137.13162	1.6
138.01791	1.4
138.05560	6.1
138.06372	7.1
138.09119	2.4
138.10129	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	137.0959
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.83424	0.8
53.03941	1.9
55.01862	1.0
55.05491	3.1
56.96555	2.2
58.24368	0.7
65.03922	1.4
66.04722	0.7
67.05498	33.8
67.16902	0.9
69.03416	2.0
69.07066	0.9
70.16679	2.9
79.05479	4.2
81.07048	12.1
91.05474	15.7
92.05824	1.2
93.07029	4.8
94.04164	2.2
94.07811	1.3
95.04972	5.3
95.08588	7.6
97.06405	1.5
103.05463	2.1
104.06249	0.9
107.04948	25.6
107.08569	2.2
109.06467	1.4
109.10145	35.5
110.07165	1.2
110.10473	1.9
117.07040	1.3
119.08574	16.6
121.06491	10.9
122.03647	3.9
122.07275	100.0
123.07607	3.8
134.33969	0.6
135.08041	4.8
137.02429	1.3
137.05949	6.2
137.09604	84.3
138.05399	1.2
138.09979	3.8
154.19528	0.9
154.93851	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	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
53.03941	4.1
55.01855	3.4
55.05296	0.8
55.05511	8.9
55.93534	1.1
57.03426	1.7
57.07054	0.9
63.02377	0.9
64.43961	0.8
65.03934	7.5
66.04714	6.6
67.05501	67.1
68.05014	1.6
68.05830	1.6
69.03410	3.3
69.04538	2.6
69.07063	5.0
71.06432	1.6
72.64661	0.9
75.86619	0.8
79.05495	17.3
80.05829	0.8
81.03414	3.1
81.04523	3.4
81.07058	29.4
82.06573	1.5
83.04982	2.1
83.06097	1.4
91.05478	38.5
92.05820	3.3
93.07045	10.8
94.04185	48.4
94.06561	1.9
94.07815	1.1
95.04974	14.3
95.06052	1.1
95.08604	18.1
96.05625	2.9
97.06398	9.5
97.07665	1.1
98.04803	2.0
103.05451	1.0
105.04520	1.1
105.07035	2.7
107.04947	7.2
107.08596	11.6
109.06510	17.2
109.10155	26.6
109.10921	1.3
110.06047	1.6
110.07163	7.5
110.07819	1.2
110.10498	0.8
111.05569	1.6
112.10644	0.9
117.07014	4.9
119.04951	1.3
119.06096	1.2
119.08575	19.9
119.09436	0.9
120.04475	1.0
120.05581	1.4
121.06480	2.0
121.07623	0.9
121.69158	0.9
122.03643	59.7
122.07272	12.3
123.03964	2.0
123.06783	1.0
137.02495	1.9
137.05974	87.6
137.08076	4.1
137.09612	100.0
138.05565	4.7
138.06334	5.7
138.09131	0.9
138.10007	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02366	0.8
53.03939	5.4
54.03455	2.4
55.01866	5.1
55.05505	10.3
55.93526	0.7
56.03762	1.5
56.05023	1.6
56.96544	1.9
57.03429	1.8
57.07071	1.1
63.92147	0.7
65.03929	7.4
66.04678	1.6
67.05499	81.0
68.05019	2.0
68.05830	2.1
69.03415	4.0
69.04539	2.7
69.07062	4.3
69.77776	4.7
70.06571	1.2
72.04500	1.3
76.98318	0.7
77.03920	1.0
79.05489	17.1
80.05009	1.2
81.03414	6.8
81.04535	7.5
81.07052	33.7
82.06554	2.7
83.04961	3.3
83.06084	2.3
91.05474	41.1
92.04998	1.0
92.05797	1.4
93.00377	0.9
93.04535	1.0
93.07040	13.1
94.04176	13.1
94.06564	1.5
94.07814	3.1
95.04356	1.3
95.04961	24.1
95.06075	2.4
95.08595	18.5
95.09216	0.9
96.04486	1.4
96.05660	3.8
96.08115	1.1
97.03993	0.8
97.06393	12.4
97.07664	2.3
98.04784	3.1
103.05463	2.2
104.06229	1.4
105.04512	1.2
105.07031	1.4
107.04946	30.9
107.08584	6.0
108.05727	3.3
109.06509	50.7
109.10146	53.5
110.06035	2.8
110.07172	11.2
110.10485	2.6
111.05570	4.6
117.07011	4.0
119.06033	2.2
119.08573	19.4
119.09452	1.0
120.04488	1.4
120.05589	1.8
120.08926	1.1
121.06506	10.5
121.07439	1.5
122.03658	13.3
122.07274	93.2
123.06807	1.1
123.07598	3.5
135.08017	3.7
137.02499	4.1
137.03418	1.3
137.04466	0.9
137.05969	26.2
137.08153	4.6
137.09605	100.0
138.01736	1.0
138.05486	7.0
138.06584	4.5
138.09113	1.3
138.10077	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	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.7
54.03453	4.8
55.01852	4.1
55.05500	12.3
56.03752	1.8
56.05020	2.5
56.96560	1.5
57.03420	2.4
57.07049	1.4
65.03932	9.6
66.04710	1.8
67.05499	72.5
68.05012	4.1
68.05814	1.8
69.03409	4.6
69.04545	5.3
69.07058	5.8
71.39717	1.9
72.04512	2.3
77.03896	1.7
79.05486	17.8
80.05039	1.5
80.06230	1.1
81.03407	4.6
81.04528	11.5
81.07050	38.7
82.06574	3.8
83.06101	4.3
91.05470	37.7
92.04980	1.9
92.05787	1.8
93.07039	13.2
94.04176	16.3
94.06561	2.6
95.04965	17.2
95.06070	3.8
95.08600	26.2
96.04475	3.7
96.05638	7.0
96.06174	0.9
96.06888	1.1
96.08102	1.6
97.03992	1.3
97.06388	19.1
97.07667	3.0
98.04776	1.5
103.05474	1.8
105.07038	3.4
107.04929	8.2
107.08582	17.4
108.05721	1.2
109.06508	31.2
109.07292	1.5
109.07632	2.3
109.10145	30.7
110.06010	4.3
110.07168	17.0
110.10474	1.4
111.04446	1.2
111.05560	6.1
114.20374	1.1
117.07008	4.1
119.04979	1.9
119.06072	1.8
119.08560	18.4
120.04471	2.9
120.05520	2.8
121.06515	6.1
121.07643	3.2
122.03642	19.8
122.07273	33.9
123.06760	1.1
128.13998	1.1
137.02460	5.3
137.04382	1.5
137.05954	32.9
137.07056	2.5
137.08087	8.7
137.09608	100.0
137.13213	1.8
138.05479	7.7
138.06569	6.6
138.09137	2.2
138.10107	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02367	0.8
53.03939	0.9
55.01865	0.8
65.03926	2.0
66.04714	9.4
67.05503	0.5
69.03422	0.4
69.92715	1.2
69.93132	0.5
76.84246	0.2
77.03917	0.8
79.05047	0.4
79.05483	5.1
80.05837	0.3
81.07054	1.9
91.05473	3.6
91.86900	0.2
93.03410	0.4
94.04176	59.0
95.04480	1.2
95.05013	2.2
105.03378	1.2
105.04491	0.6
107.04941	1.9
109.06493	0.8
110.58229	0.2
118.66576	0.3
119.04897	0.3
119.78047	0.2
122.03634	76.6
123.03963	2.6
135.04402	0.7
137.05962	100.0
138.05487	0.4
138.06317	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01611	0.5
51.02364	0.8
53.03929	1.4
55.01867	0.9
58.65423	0.3
59.12133	0.4
59.87211	0.4
62.05201	0.4
65.03931	2.0
66.04716	8.2
66.13820	0.4
66.27664	0.4
67.05048	0.4
67.05485	0.6
69.34577	1.6
69.34995	2.4
73.08887	0.4
77.03938	0.9
79.05486	4.5
81.07018	1.9
87.40351	0.3
91.05473	3.8
94.04182	55.5
95.04501	1.6
95.05035	2.0
101.83485	0.4
105.03344	0.9
107.04346	0.4
107.04958	2.1
109.06519	0.8
109.85569	0.3
111.68877	0.4
119.64037	0.4
119.81145	0.3
122.03642	74.4
123.03983	2.2
135.04393	1.0
137.05969	100.0
138.06291	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02338	0.5
51.32025	0.5
53.03940	2.6
55.01844	1.2
55.05504	3.4
55.93499	0.5
56.03752	0.8
56.96514	0.8
57.07067	1.0
59.06101	0.5
62.08278	0.5
65.03919	2.0
66.04693	1.9
67.05495	36.4
68.05036	1.0
68.05838	0.8
69.03400	1.6
69.04525	1.6
69.07047	1.8
70.85013	1.0
70.85352	0.8
72.04487	0.8
79.05132	0.6
79.05488	6.4
81.03395	1.2
81.04507	1.9
81.06578	1.1
81.07048	17.5
82.06562	1.0
83.06102	0.9
85.80415	0.5
91.05472	17.8
92.05807	1.1
93.07027	6.3
94.04182	14.2
94.07803	1.4
95.04960	7.9
95.06036	0.5
95.08595	13.1
96.04462	1.1
96.05617	1.3
97.04012	0.7
97.06392	4.7
97.07612	0.5
98.04768	0.8
103.05444	1.5
104.06242	1.2
105.04500	1.1
107.04942	26.6
107.08579	2.7
109.06509	3.0
109.10143	33.9
110.06026	0.9
110.07153	4.1
110.10463	1.2
111.05549	1.6
117.07005	2.2
119.04894	0.7
119.08569	15.5
120.04466	0.8
120.08901	0.7
121.02840	0.8
121.06487	8.9
121.07414	0.8
122.02733	0.8
122.03634	16.8
122.07270	100.0
123.03950	0.8
123.07584	2.7
135.08047	4.2
137.02397	2.1
137.05966	25.4
137.09599	83.7
138.05463	3.6
138.06459	2.1
138.09969	3.4
146.96280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03949	2.9
54.03462	1.4
55.01857	1.5
55.05517	3.2
56.05011	0.8
56.36398	0.6
56.96534	0.6
57.07080	0.6
57.42843	0.5
58.76355	0.5
61.63784	0.5
65.03939	4.2
66.04424	0.7
66.04724	7.4
67.05500	22.6
68.05008	0.6
68.05805	0.5
68.35995	0.5
69.03420	1.6
69.04519	1.5
69.07043	1.5
69.97626	2.8
70.06577	0.5
72.04519	1.1
77.03919	1.0
79.05492	10.1
80.04994	0.7
81.03407	1.7
81.04550	3.3
81.07048	13.8
82.06566	1.1
83.05050	0.6
83.06115	0.7
83.26600	0.5
88.57475	0.6
91.05477	14.4
92.05804	1.4
93.07037	4.4
94.04182	54.3
94.06585	0.7
95.04520	1.0
95.04993	6.6
95.06100	0.7
95.08603	8.4
96.05596	1.4
97.06396	6.0
98.04778	1.0
98.20816	0.7
105.04512	0.8
105.07017	1.2
107.04961	3.0
107.08561	3.2
109.06525	8.1
109.10149	9.0
110.06043	1.1
110.07191	4.8
111.05539	1.4
117.07005	1.4
119.04948	1.0
119.08578	5.7
120.04491	0.6
120.05612	0.9
121.06509	1.6
122.03642	67.0
122.07281	8.3
123.03968	2.4
135.04364	1.0
135.08096	0.7
136.40665	0.5
137.05971	100.0
137.08206	2.5
137.09607	32.0
137.10678	1.3
137.13225	1.0
138.01663	0.7
138.05444	2.0
138.06409	4.7
138.09108	1.1
138.10143	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	136.0757
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02374	2.1
53.03703	1.0
53.03942	16.3
54.03458	1.6
54.04257	0.7
55.01859	1.4
55.05492	1.4
56.01384	0.6
56.96569	0.5
64.64597	0.6
65.03930	7.1
66.62200	0.4
67.01859	1.0
67.02982	0.9
67.04225	0.5
67.05497	16.0
67.40172	0.4
68.05019	5.6
69.03421	1.2
69.07056	0.9
69.28866	6.2
69.29178	0.5
70.02943	2.0
70.06563	0.5
77.03920	5.0
78.04699	1.9
79.05496	5.2
80.05006	4.1
81.03416	2.6
81.04516	1.4
81.07050	9.4
82.02966	0.5
82.06566	1.1
91.05473	62.3
92.05000	0.8
92.05796	2.2
93.05783	12.3
93.07032	25.7
94.04160	3.3
94.06543	1.8
95.04961	40.3
95.06052	3.1
95.08606	2.4
96.04465	1.3
96.05283	1.0
96.06863	4.9
97.06392	2.8
98.20691	1.0
105.04501	8.1
106.06589	0.6
107.04919	1.2
107.08585	1.4
108.04482	2.4
108.08115	13.9
108.08852	0.9
109.01099	1.4
109.06505	2.4
109.07643	4.3
109.08369	0.9
109.10151	7.2
110.06029	1.0
110.07151	1.7
110.38229	0.6
118.06540	2.1
119.03567	0.7
119.04936	2.1
119.06004	0.6
119.08617	0.7
122.03622	4.0
122.07281	1.9
126.05505	8.8
136.02155	13.2
136.03925	1.5
136.06212	9.8
136.07570	100.0
137.02461	1.2
137.04523	1.1
137.05963	6.3
137.07947	5.1
137.09599	7.6
137.10600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0756
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02369	3.2
52.75568	0.7
53.03941	16.8
54.03470	3.9
55.01855	2.9
55.04237	0.9
55.05495	2.7
55.17364	0.6
55.36876	0.8
56.05017	0.8
56.96552	1.5
65.03929	9.3
66.04708	2.8
67.01862	1.3
67.02981	2.6
67.05166	1.3
67.05499	19.1
68.05022	19.9
69.03419	5.8
69.04549	0.9
69.07060	2.2
70.02948	2.0
70.06580	1.1
71.59655	1.0
74.45435	0.7
77.03922	4.5
78.04702	2.4
79.05485	11.0
80.05015	8.8
80.05810	1.9
81.03423	3.7
81.04539	4.9
81.05769	0.9
81.07053	14.0
82.02905	0.9
82.06567	1.6
83.04984	0.8
83.06086	1.8
91.05473	73.5
92.04971	1.4
92.05811	5.6
93.05779	11.5
93.07037	25.8
94.04167	22.6
94.06565	2.5
94.07368	2.0
95.04961	43.5
95.06064	12.1
95.08600	8.7
96.04492	1.6
96.05206	0.7
96.05646	1.6
96.06860	18.5
97.06392	7.1
98.89261	0.8
100.77768	0.7
105.04504	7.0
106.06571	1.4
106.07330	0.8
107.04927	4.8
107.06073	0.8
107.07370	1.3
107.08595	2.1
108.04479	2.8
108.08115	16.4
108.08917	4.1
109.01111	4.9
109.06528	7.6
109.07632	16.1
109.10147	7.9
110.06042	1.1
110.07175	7.7
111.33595	0.8
116.05784	2.2
118.06532	4.8
118.07294	1.1
119.03616	3.4
119.04948	3.3
119.06031	3.2
119.08590	3.1
121.06403	1.6
122.03638	30.6
122.07284	9.6
123.49197	0.7
126.05522	7.9
136.02158	53.7
136.03751	5.2
136.05063	3.7
136.06192	38.0
136.07565	100.0
136.08652	20.2
137.02496	3.9
137.03572	1.5
137.04602	5.5
137.05969	50.7
137.06874	1.7
137.08022	5.3
137.09602	18.0
137.10648	0.7
149.02977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02361	2.1
53.03940	16.6
54.03460	2.8
54.27712	0.8
55.01857	1.0
55.04258	1.5
55.05500	0.9
56.96555	1.0
65.03931	6.8
66.04719	1.0
67.01846	1.4
67.02962	0.9
67.05499	11.3
68.05019	7.3
69.03407	2.2
70.02930	1.9
70.33625	1.2
70.33986	3.2
77.03932	3.6
77.89825	0.9
78.04705	1.6
79.05485	5.7
80.05016	3.3
81.03391	3.2
81.04529	3.4
81.07054	8.6
82.02914	0.9
82.06543	1.5
82.43320	0.9
83.04990	1.2
91.05473	59.6
92.04961	1.0
92.05801	3.3
93.05780	12.5
93.07030	26.0
94.04142	4.7
94.06572	2.0
94.07365	3.9
95.04963	34.0
95.06017	4.4
95.08618	2.6
96.04503	1.5
96.06863	7.1
97.06384	3.3
105.04498	5.5
106.07369	1.9
107.04957	1.5
107.08591	2.4
108.04472	3.1
108.08113	12.9
108.08919	5.3
109.01089	2.4
109.06521	5.3
109.07643	6.9
109.10135	3.6
110.06035	1.0
110.07154	2.8
118.06538	3.7
119.04939	2.1
119.06043	1.0
119.08545	2.0
121.06355	0.9
122.03641	5.2
122.07246	5.4
126.05509	8.9
136.02164	18.7
136.03929	1.7
136.06204	13.4
136.07570	100.0
136.08635	7.9
137.02379	1.6
137.04543	1.6
137.05972	9.3
137.07953	5.0
137.09576	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	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45111	0.2
51.94176	0.3
56.75992	0.2
56.96556	0.4
67.02982	0.6
69.54158	1.7
69.54565	0.5
70.36673	0.3
74.25333	0.2
91.05473	5.1
92.02472	0.8
94.04037	4.5
100.02464	0.4
107.04889	0.3
109.05095	0.7
112.05061	0.5
119.03540	9.6
119.04914	1.1
120.03905	0.4
131.01862	2.3
132.01988	0.3
136.06172	100.0
137.04581	8.7
137.06509	1.7
145.82669	0.2
149.02937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0756
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03944	0.7
54.03460	1.0
55.01866	0.6
55.02991	0.4
55.05500	0.4
56.05035	0.5
56.96556	2.0
64.79392	0.3
65.03933	2.4
66.29124	0.3
67.02978	0.6
67.05477	1.3
68.05016	3.4
69.03425	1.2
69.04537	0.8
69.05801	0.3
70.97997	0.7
79.02953	0.3
79.05479	1.9
80.05007	3.3
80.05808	0.9
81.03429	0.7
81.04533	3.3
81.07044	2.5
82.04071	0.4
82.06573	1.0
83.06087	0.4
84.08135	0.8
88.38764	0.3
91.05467	100.0
92.01276	0.3
92.02490	0.5
92.04964	0.5
92.05810	3.1
93.05759	1.9
93.07040	1.5
94.04062	4.6
94.06575	1.5
94.90014	0.4
95.04948	1.9
95.06068	3.3
95.08581	0.5
96.04463	0.4
96.05596	0.5
96.06853	3.8
97.06376	2.4
106.06555	0.4
107.04936	5.4
107.06039	0.3
108.04489	1.0
108.05346	0.5
108.08118	2.7
109.01082	2.0
109.05156	0.5
109.06513	4.7
109.07616	4.8
109.10116	0.5
110.03509	3.2
110.06009	0.5
110.07176	2.0
111.00246	0.4
112.05060	0.9
113.05894	0.3
117.05757	0.6
118.06534	5.7
119.01850	0.4
119.03577	9.2
119.04921	21.1
119.05989	1.3
120.05320	1.0
121.59684	0.4
122.03642	1.3
122.07268	0.5
131.01918	1.0
136.02151	19.5
136.03996	2.6
136.06174	66.1
136.07552	22.0
136.08655	4.4
136.11191	0.9
137.02422	1.3
137.04567	28.0
137.05930	2.2
137.08017	2.1
137.09604	1.0
137.10709	0.9
138.04997	0.3
149.02940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02394	2.4
53.03943	15.0
55.01866	4.9
55.05502	15.0
56.12733	1.7
56.96556	3.7
57.07044	1.8
65.03934	7.1
67.05503	25.7
68.05030	6.4
69.03422	6.2
69.07073	8.9
69.53562	15.1
79.05489	89.2
80.05017	8.0
81.07053	31.9
82.07352	1.9
91.04893	1.9
91.05476	69.6
93.05782	9.9
93.07037	100.0
94.04037	2.0
94.06560	2.4
94.07361	2.6
94.07903	2.0
94.89979	2.7
95.04965	29.2
95.06082	2.7
96.06866	3.5
98.20743	3.4
105.04527	5.3
105.07030	24.1
107.04945	12.6
107.06052	2.4
107.08587	97.7
108.04483	2.3
108.08157	3.6
108.08912	4.2
109.01086	12.9
109.06525	9.3
115.05462	5.6
117.07028	4.7
118.06549	4.8
119.03555	6.6
119.06094	2.8
119.08590	6.3
120.09397	3.3
133.10114	2.3
135.04489	14.5
135.05534	8.2
135.06641	8.9
135.08066	22.4
135.09009	2.7
135.10670	3.8
135.11688	54.1
136.02161	98.2
136.03931	7.7
136.05078	5.1
136.06189	69.6
136.07578	27.1
136.08588	3.6
136.12039	2.3
137.04578	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02394	1.0
53.03951	8.3
53.76895	0.7
54.03468	1.3
55.01872	1.7
55.05512	10.9
56.96579	0.6
65.03954	3.7
67.05496	5.8
68.05027	4.3
69.03429	1.1
69.07062	4.8
70.84523	0.6
71.31423	1.3
77.03941	1.2
78.04698	0.8
79.05489	35.4
80.05035	1.7
80.05827	0.9
81.03420	1.0
81.07054	6.5
87.05581	1.0
89.03905	0.8
91.05475	64.2
92.05794	1.2
92.06288	0.9
93.05791	2.5
93.07040	68.5
94.06577	1.1
94.07376	2.5
95.04964	19.4
95.06091	2.4
96.06868	3.8
97.89364	0.6
102.87099	0.6
103.05492	0.7
105.04508	3.6
105.07030	21.5
107.04961	5.9
107.08590	100.0
108.04501	0.9
108.05623	1.0
108.08114	3.2
108.08916	4.3
109.01094	1.4
109.06521	9.8
109.07632	3.3
115.05457	5.0
116.01298	0.9
117.07016	3.9
118.06507	1.4
119.03585	0.6
119.06072	3.5
119.08583	7.9
120.05669	0.8
120.09354	2.6
126.05514	2.1
130.00957	0.9
135.04404	4.6
135.05457	1.1
135.06532	1.1
135.08049	21.6
135.09044	0.8
135.11685	22.6
136.02161	12.5
136.03915	1.4
136.05125	1.4
136.06184	7.4
136.07564	24.9
136.08650	5.5
136.12032	0.8
137.04594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
50.75967	0.1
51.19001	0.1
55.02986	0.2
56.96553	0.4
59.31932	0.1
65.03910	0.2
67.02966	0.4
71.04333	0.2
71.04967	0.2
71.27160	0.1
76.44415	0.1
82.04036	0.2
84.28041	0.1
84.31778	0.1
85.31043	0.1
91.05477	8.9
92.02479	0.8
92.05811	0.3
94.04049	3.6
100.64774	0.1
107.04961	0.6
109.05098	0.8
109.06455	0.2
110.03477	0.3
112.05106	0.6
118.06531	0.3
119.03543	10.1
119.04849	2.2
120.03913	0.2
131.01889	0.6
136.06177	100.0
137.04582	10.3
137.05678	0.5
137.06644	2.2
138.04932	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02383	2.3
53.03943	15.5
54.03452	1.5
54.33150	1.1
55.01867	4.0
55.05511	9.0
56.96577	1.8
57.07076	1.7
65.03946	6.0
67.05505	7.4
68.05019	10.4
68.63119	1.2
69.03419	3.2
69.07061	4.9
70.02957	1.3
70.13577	6.2
78.04700	2.0
79.05486	38.1
79.25755	1.1
80.05021	4.6
81.03404	1.8
81.07053	7.9
83.70932	1.3
89.03912	5.1
91.05471	100.0
91.68047	1.0
93.05784	5.5
93.07034	63.0
94.06525	1.5
95.04957	28.4
95.06079	3.2
95.08594	1.6
96.06860	5.7
105.04509	5.7
105.07013	32.5
107.04949	15.0
107.08582	99.9
108.04422	2.9
108.08112	6.8
108.08922	4.1
109.01102	2.4
109.06522	9.5
109.07623	6.4
115.05440	10.8
117.06981	6.1
118.06541	4.1
119.06081	3.8
119.08573	21.3
120.05697	1.6
120.09338	5.1
126.05524	4.9
135.04417	10.9
135.05493	2.9
135.06570	3.1
135.08073	25.5
135.11681	34.6
136.01105	2.1
136.02153	39.8
136.03905	2.8
136.05148	2.8
136.06187	27.3
136.07571	46.8
136.08661	7.0
136.12108	1.8
137.04596	2.6
144.78214	1.2
147.50641	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.40676	1.5
53.03941	10.0
53.15948	1.4
55.01871	4.3
55.05511	14.4
55.49025	1.6
56.96574	2.2
64.33287	1.3
65.03928	6.2
67.02986	2.0
67.05503	24.4
68.05038	7.7
69.03413	5.1
69.07055	8.9
71.21175	3.7
76.17111	1.4
79.05491	84.1
79.62531	1.5
80.05015	4.8
80.05821	1.6
81.03438	1.7
81.07050	27.4
83.44340	1.4
89.03915	4.2
91.05479	74.9
92.02626	2.0
92.05799	2.5
93.04536	1.7
93.05791	5.1
93.07040	100.0
94.04076	2.5
94.06573	1.9
94.07340	2.3
95.04967	23.5
95.06079	4.7
96.06864	6.9
105.04529	3.3
105.07021	14.3
107.04946	17.9
107.08591	81.9
108.04471	2.3
108.05627	1.5
108.08132	3.6
108.08907	3.6
109.01093	6.9
109.06537	8.1
109.07634	3.7
112.91105	1.8
115.05426	12.6
117.07015	8.8
118.06539	4.7
119.03548	3.7
119.04926	1.4
119.06071	3.3
119.08550	4.1
120.09341	1.9
120.32054	1.4
128.24220	1.5
135.04422	15.9
135.05547	5.5
135.06625	5.8
135.08060	35.6
135.09094	1.8
135.11691	48.4
136.02159	86.3
136.03931	6.8
136.05080	4.0
136.06186	38.1
136.07559	20.7
136.08643	9.0
137.04530	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03945	5.0
54.67028	0.5
55.01865	1.3
55.05507	8.7
57.07066	1.2
65.03928	4.1
67.05501	3.6
68.05020	1.7
69.03412	0.6
69.07061	2.2
70.93517	0.5
71.33848	0.8
72.81234	0.5
77.03924	1.3
79.05486	26.0
79.05956	1.3
80.05827	0.6
81.04546	0.4
81.07054	3.3
82.06612	0.5
87.05573	0.9
89.03893	0.5
91.05472	78.1
92.05794	1.9
92.06246	0.9
93.07035	47.7
94.06596	0.6
94.07305	1.1
94.07859	0.7
95.04963	13.5
95.06056	1.6
95.08586	1.8
96.06876	2.4
100.43776	0.5
103.05443	1.8
104.06223	1.6
105.04517	2.1
105.07021	36.7
106.07270	0.7
106.07884	1.1
107.04952	3.4
107.08583	100.0
107.92718	0.5
108.04496	0.5
108.08910	3.8
109.01104	0.5
109.06506	14.9
109.07598	2.5
115.05437	5.7
116.06215	0.6
117.07020	6.5
119.06068	4.5
119.08572	20.5
120.09393	7.4
121.06436	0.6
124.05209	0.8
133.10133	2.4
135.04405	2.8
135.05446	1.0
135.06525	0.8
135.06853	0.6
135.08049	11.5
135.11678	25.6
136.02167	7.3
136.03851	0.8
136.06151	5.0
136.07532	1.8
136.08510	2.7
136.11948	0.9
137.04663	0.4
137.09584	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	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02374	1.0
53.03938	5.9
55.01865	8.6
55.05509	2.7
56.96563	2.8
57.23427	0.7
59.30643	0.7
63.02391	0.8
65.03937	10.7
67.02972	0.9
67.05498	7.8
68.05019	5.1
69.03422	8.3
69.07076	0.9
77.03932	1.1
79.05486	58.9
80.05003	2.5
80.05813	1.9
81.03381	1.2
81.04539	0.8
81.07052	2.4
83.06106	0.9
89.03904	10.2
91.05474	100.0
92.05787	3.2
92.06275	2.7
93.05792	1.8
93.07036	24.2
94.04075	1.0
94.06545	1.1
95.04961	15.6
95.06065	2.4
96.04494	0.8
96.06879	3.8
96.07378	0.8
105.04515	3.5
105.07022	30.5
106.07352	1.5
106.54264	0.7
107.04263	1.2
107.04948	10.4
107.06100	0.9
107.08588	44.5
108.04499	1.3
108.05597	1.4
108.08179	1.5
108.08919	1.9
109.01099	3.0
109.06506	15.0
109.07643	2.5
115.05447	29.9
116.05748	1.4
117.03378	3.0
117.07010	19.9
118.06523	2.3
118.07314	1.9
119.03527	1.4
119.04980	0.9
119.06056	5.3
119.08568	3.6
120.05717	1.8
120.09338	1.1
124.05205	1.1
133.06404	0.8
134.07111	0.8
135.04410	12.2
135.05530	3.2
135.08044	49.0
135.11673	6.8
136.02156	38.9
136.03903	2.8
136.05107	1.0
136.06172	19.4
136.07545	9.5
136.08585	4.8
137.04552	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	134.06
Annotation	Oxindole
Peak:m/z	Relative Intensity
52.72919	0.2
53.03946	1.2
55.01865	0.5
56.05032	0.3
59.14331	0.2
63.02387	0.2
65.03934	0.4
67.05486	0.6
69.03416	0.3
70.85385	0.4
70.85730	0.6
77.03929	0.3
77.25988	0.2
79.05486	20.5
80.05038	0.3
80.05827	0.9
81.03373	0.3
81.07024	0.4
87.05589	0.3
89.03899	0.7
91.05474	5.3
91.92640	0.3
92.05792	0.6
92.90083	0.3
93.07039	2.0
95.04961	3.1
96.04500	0.4
104.05044	0.3
105.03384	15.5
105.04536	0.8
105.05312	1.1
105.07011	1.7
106.06548	79.8
107.04956	3.2
107.06150	0.6
107.06873	3.1
107.08578	3.8
109.06488	0.5
113.08410	0.3
115.05450	1.2
116.04991	1.7
117.05785	0.5
117.06985	0.7
119.08617	0.5
132.08897	0.5
133.05199	0.6
133.13823	0.2
134.06009	100.0
134.10460	2.5
135.04483	1.4
135.05437	0.4
135.06381	5.2
135.08011	4.1
135.11684	0.7
147.70967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02372	0.6
53.03932	3.3
55.01865	13.4
55.05499	1.9
56.96553	0.9
65.03931	8.7
67.05499	7.0
68.05025	1.5
69.03423	13.8
69.03800	0.8
69.07079	0.6
71.60140	1.0
79.05483	52.3
80.05009	2.3
80.05806	2.1
81.03413	1.2
81.07062	1.7
88.95895	0.6
91.05469	100.0
92.05776	3.2
92.06279	2.1
93.05792	2.1
93.07037	14.3
94.06550	1.2
95.04958	12.3
96.06843	0.9
103.05462	0.7
105.04523	1.4
105.07021	31.7
106.07384	1.7
107.04939	7.2
107.06106	0.9
107.08580	50.4
108.04448	0.8
108.08195	1.2
108.08950	2.8
109.01082	3.0
109.06509	17.6
110.06845	0.9
115.05438	25.7
116.05727	1.1
116.06310	0.6
117.07005	19.3
118.06520	1.7
119.03587	1.5
119.06045	5.8
119.08569	2.8
120.05708	2.1
124.05270	1.0
135.04416	5.1
135.05531	2.5
135.06538	1.7
135.08041	37.2
135.11667	4.4
136.02145	34.8
136.03920	2.4
136.05095	1.6
136.06183	21.8
136.07562	8.1
136.08482	2.5
137.04593	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	1.9
55.05504	3.3
56.96555	0.7
66.64749	0.7
66.82611	0.7
70.73843	2.1
79.05496	11.0
91.05476	30.6
92.05782	1.4
92.58525	0.6
93.07046	6.1
95.04961	2.9
103.05461	4.9
105.07025	77.2
106.06682	0.8
106.07327	3.7
107.08607	1.3
112.02207	1.0
115.05447	7.6
116.06237	1.5
117.07024	9.4
118.07803	10.2
123.07968	1.2
129.07010	0.8
131.08577	8.7
133.06619	3.6
133.10124	100.0
134.06017	1.8
134.07130	2.4
134.10471	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02348	0.5
53.03940	1.3
55.05507	2.8
56.96546	0.3
60.98527	0.3
65.03928	0.7
67.05502	0.9
70.94507	0.6
70.94858	0.7
74.86427	0.4
77.03925	0.8
78.61228	0.3
79.05484	8.6
84.72742	0.3
91.05473	25.3
92.05785	0.8
92.06304	0.5
92.14009	0.3
93.07036	6.3
95.04946	2.6
103.05461	4.5
105.07021	62.3
106.06659	0.5
106.07327	2.2
107.08577	1.3
115.05452	7.5
116.06219	1.3
117.07010	10.9
118.07796	9.2
119.08171	0.4
123.07961	0.5
129.07021	0.8
131.08554	7.6
133.10117	100.0
134.06038	0.4
134.07068	0.5
134.10445	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0318
Annotation	THTC
Peak:m/z	Relative Intensity
53.03940	5.2
55.01872	1.4
55.05516	0.7
56.05033	0.8
56.96567	5.8
57.02792	0.4
57.03436	7.2
58.06588	0.7
58.99284	0.6
58.99583	12.8
59.04997	0.7
59.96720	2.1
60.04537	0.4
60.95844	0.4
61.01148	82.9
62.01485	0.6
68.05014	0.4
69.03429	0.7
70.11026	1.4
70.11423	0.6
70.95879	0.6
71.04986	1.1
72.00343	2.6
72.04502	0.5
72.93781	0.8
73.02911	1.7
74.02438	4.5
74.06066	2.0
74.99074	5.8
75.02697	4.9
75.05601	0.9
77.00613	5.4
77.03896	0.4
79.05492	1.5
80.05003	0.5
83.01326	1.0
83.03448	0.4
83.04956	0.8
84.01571	1.8
85.01130	9.0
85.02901	10.9
86.01373	0.5
86.06064	0.8
86.99059	0.9
87.02689	100.0
87.04453	1.3
88.02208	0.5
88.03027	1.9
88.03986	1.1
88.07592	0.4
89.03461	0.5
89.04243	1.1
90.59206	0.4
91.02182	3.1
91.05460	1.3
92.01297	0.7
93.02068	1.2
95.03449	0.5
95.04971	0.8
97.02328	1.3
98.04001	0.4
98.06028	0.7
98.97576	0.8
99.02016	0.5
100.02490	0.5
103.05473	0.7
104.03972	0.4
105.00096	5.5
105.02086	0.6
105.03754	2.8
105.07027	7.8
105.07672	0.7
106.02834	1.6
106.06557	0.4
115.08720	0.6
116.98593	0.7
118.03553	0.6
119.01911	1.0
121.01674	0.5
121.03416	0.5
128.96964	0.4
130.02591	0.4
132.95830	0.4
133.03185	20.3
133.06506	3.3
133.10126	1.2
134.03560	0.6
134.05997	0.8
134.99625	0.6
137.02934	0.7
147.04993	1.6
149.01195	1.4
150.96864	0.8
151.04550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
69.07054	1.4
70.49697	2.9
72.16606	0.7
86.09698	100.0
87.10042	2.5
94.66736	0.8
118.50429	0.7
119.48621	0.8
123.07914	1.4
130.78416	0.7
132.04463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01876	0.8
55.05500	1.7
56.05038	1.2
56.13382	0.4
56.96559	9.1
57.03151	0.4
57.03432	7.6
58.06586	2.7
58.99280	0.8
58.99581	15.0
59.04989	0.8
59.96725	2.9
60.04532	0.8
60.95840	0.8
61.01144	83.7
62.01493	0.9
62.06065	0.5
69.01911	0.6
69.03413	0.9
69.40671	3.8
70.06582	0.8
70.88577	0.4
70.99553	0.7
71.01385	0.4
71.04980	3.1
72.00336	2.9
72.08142	1.1
73.02907	0.9
74.02025	0.6
74.02435	10.5
74.06075	3.7
74.97579	0.5
74.99059	5.4
75.01015	0.5
75.02689	4.9
75.04485	0.7
75.05608	2.5
76.07641	1.6
77.00600	5.0
79.05479	0.9
83.00777	0.6
83.03455	0.8
83.04977	1.4
84.01554	3.3
84.84845	0.4
85.01118	10.0
85.02895	10.3
86.01315	0.7
86.06025	0.9
86.09731	0.5
86.99039	0.6
87.02682	100.0
87.05574	2.0
87.10036	2.0
88.02199	0.4
88.03038	2.0
88.03989	3.1
88.07626	1.3
88.72401	0.4
89.00779	0.7
89.03433	0.7
89.04258	0.7
90.01634	0.4
90.09184	0.7
91.02174	3.4
91.52111	0.6
92.01303	1.2
92.90067	1.3
93.02080	2.1
95.03448	1.2
97.02345	1.9
98.03981	0.9
98.20723	0.5
98.97602	2.1
104.01270	0.5
104.03954	1.7
105.00084	5.6
105.02040	1.1
105.03723	3.0
105.07001	3.3
106.02822	3.3
112.02162	0.7
115.02145	0.6
115.03319	0.7
116.03468	1.0
116.07057	0.7
116.10761	0.5
116.98602	1.8
118.03497	0.7
119.01926	2.1
119.03602	0.5
121.01673	0.5
121.03433	0.8
123.07937	0.9
129.03952	0.5
131.00131	1.3
133.03178	19.8
133.04759	0.8
133.06544	0.8
133.09789	1.6
134.03517	0.8
134.05983	1.1
134.08130	0.5
134.11728	1.8
134.99635	1.2
137.02933	0.5
138.98979	0.4
142.03482	0.5
147.04984	2.6
149.01198	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	132.102
Annotation	N,N-Diethylglycine
Peak:m/z	Relative Intensity
53.03939	2.4
55.05511	1.8
55.25166	1.0
56.05024	3.2
56.96561	12.2
57.03425	4.1
58.06591	6.0
59.07376	2.9
59.65699	1.1
60.05648	1.2
60.08150	1.5
60.95836	2.2
61.01147	10.6
61.02904	1.6
68.05022	1.8
69.03408	2.0
69.07063	5.2
70.06583	1.6
71.04986	4.2
71.29572	2.5
72.04501	1.4
72.05626	1.7
72.08129	1.1
73.02895	1.9
74.02437	3.2
74.06078	6.4
75.05576	1.3
77.00757	2.3
84.01596	1.2
84.08134	3.3
85.02885	2.9
86.01316	1.1
86.06051	3.5
86.09698	100.0
87.02695	11.1
87.05549	1.6
87.10036	2.7
88.01836	1.4
89.98772	1.1
90.05521	2.3
90.90401	2.2
91.52096	2.5
92.01282	2.7
97.02321	2.4
98.01284	3.3
98.97577	6.9
105.02082	1.1
106.02850	6.5
107.01796	1.9
114.09142	2.5
116.98614	4.0
119.01897	3.0
128.98607	1.2
131.00121	1.9
132.10210	10.7
133.03247	3.2
134.99683	2.1
146.99631	1.7
149.01167	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
53.03946	4.4
54.58718	0.5
55.05500	1.0
56.01393	0.6
56.05040	4.2
56.96565	7.2
57.03435	6.8
57.04553	0.6
58.02958	0.9
58.06588	2.7
59.06115	1.4
60.04515	1.4
61.02922	0.9
65.03949	0.9
67.05506	1.0
68.05026	1.2
68.95296	0.6
69.03432	2.9
69.07095	0.8
70.03741	2.6
70.06579	1.9
71.04993	1.0
71.59332	0.8
71.59707	0.6
71.93017	0.7
72.04516	1.7
72.08170	2.8
72.93787	2.5
73.02927	1.0
73.08493	1.1
74.06087	0.8
81.03416	0.9
83.00769	0.7
83.02451	0.7
83.06110	1.3
84.04506	2.0
84.08144	1.6
85.02904	1.6
85.04839	1.6
85.07710	1.3
85.08472	3.9
86.00636	0.5
86.06065	2.9
86.09702	10.0
87.05587	2.1
88.07612	0.6
89.07143	0.7
89.90653	0.9
90.01574	0.9
90.90382	4.3
90.94844	1.0
91.05477	100.0
92.01270	0.8
92.05812	3.3
93.03706	0.6
95.04974	7.7
96.84506	0.5
98.01314	0.7
98.04784	0.8
98.15318	0.6
98.97578	1.5
102.04678	0.9
103.05464	88.3
104.04996	2.0
104.05796	5.5
105.03365	0.6
105.04529	1.7
105.06988	1.3
107.01797	0.7
110.01293	0.6
113.07163	1.6
113.07915	8.1
113.96410	0.7
114.05532	1.0
115.05454	10.0
116.06238	25.6
116.98590	1.0
117.06564	0.7
125.96132	1.4
128.06216	2.0
129.07004	16.1
130.06488	0.6
130.07336	0.7
131.04933	13.2
131.06900	5.2
131.08559	81.2
131.97412	0.6
132.04460	5.8
132.05435	0.9
132.06566	4.7
132.08057	2.4
132.08910	4.6
133.06503	1.2
134.99651	2.0
143.06018	0.8
144.08098	0.6
146.99635	1.0
148.97701	0.9
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
50.01587	0.4
51.02380	1.2
53.03944	4.2
55.01862	0.7
55.05510	0.9
56.05030	1.6
56.24755	0.3
56.96556	1.6
57.03435	4.7
57.04548	0.5
58.02967	1.0
58.05335	1.1
58.06597	1.1
59.06111	0.5
65.03951	0.3
67.05492	0.4
68.05028	0.8
69.03426	0.8
69.07058	0.4
70.06590	0.6
71.06122	0.7
71.21554	0.5
72.04512	0.6
72.08145	1.1
72.93791	1.1
74.06056	0.5
75.05597	0.7
75.62467	0.3
77.03931	1.2
78.03452	0.3
79.05491	1.2
81.03410	0.5
81.04536	0.4
84.04496	1.0
84.05659	0.4
84.55325	0.2
85.04023	0.5
86.06062	0.8
86.09701	6.3
86.10232	0.4
87.02688	0.4
87.05593	1.8
89.07152	0.4
90.90379	5.0
90.94801	0.6
91.05487	2.9
92.05807	0.5
95.04962	12.5
96.04471	2.1
96.05312	0.5
98.01317	0.4
98.84470	0.3
103.05453	1.2
104.04988	77.4
105.03403	2.1
105.04517	2.4
105.05315	2.1
105.07017	8.7
108.91350	0.4
108.95879	0.5
109.06501	0.3
112.02186	1.1
113.02984	0.4
114.05515	0.6
115.05467	0.6
115.08717	0.5
117.05782	1.4
117.07050	0.4
118.07817	0.4
123.07921	1.3
123.67170	0.3
131.08554	0.6
132.04443	100.0
132.08072	2.4
132.08943	0.7
133.02873	0.3
133.04741	3.2
133.06461	3.4
133.10124	3.5
149.94049	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
56.05038	0.7
56.96562	1.3
57.03433	2.7
58.02935	0.8
62.00725	0.4
64.99030	0.5
65.03935	1.5
68.05028	0.7
68.95278	0.7
69.03449	1.0
70.03748	0.5
71.34107	1.2
84.04499	1.3
84.08177	0.6
85.04821	1.3
85.08482	3.0
86.06035	1.0
86.09698	1.1
90.42375	0.5
91.05475	100.0
92.05820	3.4
95.04987	0.9
103.05465	7.7
104.05022	0.6
105.07035	0.8
109.06535	0.8
113.07970	1.4
113.92557	0.5
115.05448	8.2
116.06237	21.2
117.05760	0.7
120.14471	0.5
128.06209	2.0
129.07002	14.7
130.07314	0.7
131.04918	1.4
131.08557	76.9
132.04437	0.7
132.06516	2.7
132.08061	1.7
132.08910	3.8
133.06465	0.8
145.83018	0.5
147.04631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29509	0.9
53.03925	2.4
54.48100	0.8
55.05477	0.9
56.05035	4.8
56.96567	6.1
57.03430	6.9
58.02955	1.6
58.06577	3.3
59.06104	2.2
60.04507	0.9
65.03923	1.6
68.05018	1.6
69.03419	2.2
69.07058	1.2
70.03745	2.3
70.06561	2.4
71.06927	1.1
71.60486	1.5
71.92995	1.2
72.04503	1.9
72.08138	3.0
72.93771	1.5
73.02924	1.8
78.37360	0.9
83.00742	1.0
84.04489	2.8
84.08131	2.4
85.04813	3.1
85.07692	1.1
85.08472	8.7
86.06046	3.7
86.09709	6.2
87.05573	2.3
90.90379	1.8
91.05471	100.0
92.05786	4.8
93.03694	1.3
95.04948	4.6
98.97572	1.5
99.02029	1.0
103.05455	40.7
103.96420	0.8
104.04977	2.6
104.05776	3.0
105.07014	1.4
109.06496	1.8
113.07157	2.3
113.07899	10.2
114.05524	1.3
115.05442	13.2
116.06237	35.3
116.98605	2.0
117.05723	4.2
125.96071	1.3
128.06213	2.8
129.06999	15.4
130.06456	1.5
130.07356	1.2
131.04927	9.4
131.05893	2.2
131.07016	7.6
131.08548	57.3
132.04449	7.6
132.05560	1.2
132.06561	6.2
132.08063	6.6
132.08920	2.4
133.06514	1.4
134.99638	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	130.0652
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02376	0.4
51.35130	0.2
53.03942	1.3
55.01859	0.4
55.02994	0.4
55.05498	0.9
56.05028	1.9
56.96564	2.6
57.03427	0.5
57.07067	0.4
58.06591	0.5
59.06118	1.0
60.04508	0.3
62.43049	0.2
66.55702	0.2
67.05495	0.6
68.05037	0.2
69.03429	12.4
69.07066	1.5
70.06590	2.7
70.53220	0.8
71.04979	0.5
71.93008	0.7
72.04520	0.4
72.08152	4.5
72.93771	0.7
74.06049	0.4
74.13020	0.3
77.03930	0.3
81.03434	0.3
82.06577	0.9
83.06115	0.4
84.04506	5.1
84.08140	15.5
85.02885	0.5
85.04016	0.5
85.07664	0.9
85.08441	0.4
86.06039	0.4
87.09223	0.5
87.64422	0.2
88.07630	0.5
88.90838	0.3
90.04287	0.7
90.94842	0.3
91.05494	0.4
91.86328	0.2
94.06529	0.3
95.04961	3.2
98.18571	0.2
98.97570	0.6
99.02068	0.3
102.04663	0.6
103.05467	14.1
104.04955	0.3
104.05744	0.2
105.04544	0.5
107.95017	0.3
112.05119	0.5
112.07602	26.0
113.07129	0.6
113.07955	0.7
113.11537	0.2
116.98636	0.6
119.01785	0.4
125.96160	0.5
128.02251	0.2
128.04965	2.2
128.98599	0.3
130.06523	100.0
131.04857	0.3
131.05997	0.4
131.06873	4.2
134.99663	0.6
146.05994	1.0
147.86867	0.2
148.97739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
55.02996	0.9
55.05493	3.6
56.05019	4.3
56.96567	5.7
57.03428	1.6
57.07071	82.8
58.06578	1.2
58.07397	2.2
59.06112	3.6
67.02950	1.0
67.05489	2.3
68.04997	1.1
69.03426	37.9
69.07056	5.3
69.60520	5.3
70.03737	1.2
70.06593	5.5
71.04995	2.0
71.92984	1.6
72.04498	3.4
72.08149	13.8
72.93770	1.3
73.02965	0.9
74.09712	51.7
75.10043	1.3
82.06579	2.1
84.04498	17.3
84.08140	28.8
85.02897	1.5
85.04776	1.0
85.07662	6.6
86.06072	1.1
87.09222	2.2
91.05468	7.9
95.04972	1.0
98.07117	0.9
98.97573	1.4
103.05455	13.8
104.11748	1.0
107.95045	0.9
110.81634	0.8
112.07597	81.2
113.07115	4.9
113.07938	5.4
113.10709	1.0
115.05466	1.0
116.06265	1.7
116.98632	1.2
125.96101	1.4
129.07004	1.4
130.06531	22.8
130.08638	17.9
130.09645	1.7
130.15907	100.0
131.04907	2.9
131.06845	2.3
131.08498	5.6
131.16258	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	129.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.8
53.03929	2.9
54.14502	0.7
55.01869	4.9
55.02983	1.7
55.05505	23.0
55.93523	16.4
56.04773	1.1
56.05030	11.6
56.96561	7.2
57.03432	8.6
57.07072	12.9
58.06592	5.7
59.04988	5.7
59.06118	4.0
60.04504	1.7
61.97799	0.7
62.00071	0.7
65.03929	2.8
67.05497	14.7
68.05019	1.8
68.99764	1.4
69.03423	36.2
69.07060	42.4
70.02957	1.4
70.06589	21.1
70.07391	1.0
70.09095	3.5
70.95840	0.8
71.01331	0.7
71.04981	7.3
71.06914	3.5
71.92992	0.8
72.04503	6.2
72.08150	22.3
72.93774	3.2
73.02890	1.1
73.05296	1.7
73.06548	3.9
74.06074	2.8
74.09713	8.0
77.00789	0.8
79.05497	3.9
81.07037	2.8
82.06567	3.2
83.04969	10.6
83.06105	3.0
83.08614	15.3
84.03979	1.2
84.04497	35.3
84.08134	100.0
85.02899	3.3
85.04005	1.3
85.06531	1.9
85.07658	7.3
85.08463	1.7
86.06056	3.0
86.08451	0.9
86.09703	1.3
87.00796	2.1
87.04461	3.5
87.05575	2.1
87.09216	6.6
87.98974	0.7
88.07625	4.5
88.90848	1.0
88.96909	1.5
90.94826	1.3
93.04588	0.7
94.04126	1.0
94.06557	1.4
95.04965	2.0
95.06107	0.7
96.06857	1.3
97.02320	2.3
97.02890	3.7
97.06474	2.1
99.04530	0.9
99.05582	4.0
99.09203	1.2
100.07577	0.9
101.06013	1.8
102.04688	1.2
103.05489	1.4
106.02838	4.4
106.53096	0.9
111.04420	5.7
111.05559	1.7
111.08076	4.1
111.09221	3.1
112.03960	1.4
112.05062	3.0
112.07597	68.2
112.09521	10.4
112.11222	14.0
113.07121	5.0
117.53583	0.9
128.06142	4.9
128.95110	3.9
129.01836	26.0
129.04451	1.9
129.05473	9.4
129.07054	4.1
129.09116	2.1
129.10245	6.8
129.13884	2.7
130.02229	1.1
130.04977	2.8
130.06522	29.2
130.08624	21.5
130.09711	2.2
130.15904	15.7
145.06470	1.4
146.96120	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	128.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73999	1.0
53.03936	1.5
55.01864	1.3
55.05509	25.7
55.93509	1.4
56.05033	36.4
56.05828	1.2
56.96574	1.3
57.03417	4.0
57.05347	1.3
57.05811	7.7
58.02966	1.0
58.06598	16.6
59.04997	5.6
59.06113	0.9
60.04516	5.8
63.77782	0.9
65.03941	1.0
67.04228	3.3
67.05490	3.2
67.07024	0.8
68.05025	18.6
69.03411	2.8
69.05432	1.2
69.05800	7.2
69.07069	4.7
69.71945	6.3
70.06586	30.3
70.22487	0.9
71.04984	4.8
71.07370	1.0
72.04510	30.1
72.08143	1.4
74.06078	2.2
79.05489	4.5
80.05006	3.3
81.05813	4.6
81.07050	6.4
82.06575	34.9
83.04962	2.1
83.06083	4.6
83.06915	1.2
83.07366	1.7
83.08607	2.3
84.04501	54.3
84.08134	3.3
85.08920	7.3
86.06062	100.0
87.06387	2.1
93.22636	0.9
94.06561	4.1
95.07344	4.3
96.08124	45.0
97.02332	1.1
97.08459	2.3
98.06019	1.5
98.07148	0.9
98.09703	1.2
98.20833	2.0
99.06825	12.7
100.07618	3.2
100.11237	5.5
108.08128	1.1
110.03139	1.0
110.06021	1.8
110.07188	1.4
110.09660	5.7
111.04457	1.5
111.05639	1.0
111.09206	30.9
111.10422	15.5
112.09566	1.7
112.11256	1.5
128.04274	2.9
128.06201	3.8
128.07080	5.6
128.08113	1.0
128.10713	45.3
128.11716	1.5
129.01837	3.8
129.05481	1.8
129.07016	1.4
129.11069	2.1
138.62628	1.0
148.43796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.039
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03945	3.7
55.01664	0.2
55.01870	2.4
55.05494	0.6
56.05026	0.5
57.03426	0.5
58.06598	0.6
59.06108	1.0
60.06448	0.3
67.01860	0.4
67.05502	0.3
68.05025	1.0
68.99791	0.3
69.03413	0.7
69.04508	0.2
69.05352	0.4
70.06593	2.0
71.01330	0.4
71.04984	1.3
71.07341	0.2
71.58421	0.3
72.08125	0.2
79.05501	0.2
81.03417	4.7
81.07047	0.4
82.06567	1.1
83.06096	0.8
84.08138	0.4
85.02876	0.4
85.07658	0.7
86.06069	0.8
87.06850	0.4
97.02869	0.4
97.07624	0.4
98.80000	0.3
99.04449	0.9
100.07641	0.3
109.02876	8.0
109.07624	1.3
110.03236	0.3
110.06015	0.7
110.07955	0.4
111.09204	3.2
127.03910	100.0
127.08662	0.7
127.10585	0.5
128.03386	0.2
128.04243	3.3
128.07016	0.5
134.84668	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	126.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.6
53.03945	8.2
54.03470	0.8
55.01871	5.5
55.05507	34.2
56.05033	11.9
56.05824	0.8
56.96555	1.1
57.03430	2.8
57.04535	1.3
58.05314	0.9
58.06599	11.9
59.06119	53.0
65.03940	1.8
67.01850	0.8
67.02982	0.9
67.04246	1.2
67.05495	3.6
67.46273	0.6
67.93545	1.5
68.05020	69.0
68.99802	0.7
69.03423	7.7
69.05358	0.9
69.05784	1.2
69.07059	1.0
69.82998	1.3
69.83412	2.4
70.02935	0.7
70.06588	16.6
71.04988	5.6
71.06101	1.8
72.08145	1.5
79.05484	15.2
80.05013	4.1
80.05817	0.7
81.03414	16.1
81.04507	3.3
81.07049	44.8
82.02921	0.9
82.06573	16.5
82.07382	1.8
83.01326	0.8
83.04974	0.9
83.06095	4.9
83.07364	1.1
83.08608	12.4
84.04506	3.9
84.05629	0.8
84.06870	1.8
84.08134	4.2
85.02890	1.2
85.04047	0.8
85.07663	14.5
86.06071	0.7
86.08437	17.1
91.05486	3.4
93.05774	4.2
94.04198	0.7
94.06578	1.2
96.04488	6.1
96.08128	3.0
97.02892	1.6
97.05265	24.3
97.07652	2.2
98.06056	19.0
98.07094	0.7
98.09681	13.2
99.04450	2.7
99.09222	2.0
102.94843	1.9
108.04469	3.2
108.08109	22.5
108.08851	1.1
109.02872	16.0
109.04002	1.4
109.06514	32.7
109.07639	23.4
110.06052	1.4
110.06807	0.8
111.06800	1.9
114.59616	0.6
121.01649	2.4
123.07941	0.8
126.05560	5.8
126.06631	4.0
126.09155	100.0
126.10252	30.7
127.03906	46.2
127.04903	1.8
127.07521	0.6
127.08687	1.1
127.09502	4.8
127.10482	1.0
139.02687	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	127.039
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03741	0.2
53.03945	2.8
55.01871	1.5
56.05022	0.3
57.03425	0.3
58.06591	0.2
59.06121	0.4
67.01848	0.5
68.05013	0.4
68.99805	0.2
69.03416	0.4
69.05358	0.3
70.06583	0.8
71.01349	0.3
71.04977	0.9
71.19054	0.4
71.19383	0.3
79.05457	0.3
81.03415	3.4
81.07044	0.4
82.06575	0.7
83.06081	0.2
85.02815	0.2
86.06035	0.4
92.30319	0.2
97.02898	0.2
99.04453	0.3
100.07615	0.2
109.02871	7.7
109.07626	0.8
110.06010	0.3
111.09204	1.4
127.03905	100.0
127.91874	0.2
128.04230	3.9
128.07079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02375	0.8
53.03940	5.2
54.03464	3.0
55.01855	1.6
55.05503	5.7
56.05025	5.6
56.96552	0.8
57.07045	0.7
58.06584	0.6
65.03927	2.0
66.03472	0.8
66.04722	0.7
67.04228	0.5
67.05497	30.0
68.05025	3.8
68.05835	0.8
69.03409	0.9
69.04548	0.9
70.06580	2.2
71.07172	1.1
77.03924	1.3
78.03448	1.2
79.02190	2.4
79.05483	17.3
80.05006	25.1
80.05797	1.5
80.06244	2.8
81.03392	1.4
81.04531	6.4
81.05324	0.6
81.05782	1.1
81.07046	18.0
82.01429	1.6
82.02927	0.5
82.04866	0.6
82.05314	0.9
82.06555	0.6
82.07356	0.7
83.04962	0.7
83.05656	0.8
83.06092	9.2
90.04696	0.6
91.05473	2.9
93.07038	7.3
95.04958	34.7
95.06050	1.8
95.08592	45.2
96.04482	15.3
96.05240	0.9
96.06348	0.5
96.08122	1.1
96.08859	1.1
97.07639	5.7
100.02467	19.9
101.00819	0.6
101.02560	1.6
103.05482	3.5
104.05776	0.8
105.04498	1.9
105.07018	17.5
106.02876	0.9
106.06564	1.2
106.07349	5.5
107.04948	12.1
107.06061	7.6
108.05724	72.3
108.07643	4.7
109.06043	2.7
112.03939	2.2
118.03506	20.4
119.01907	10.1
119.03603	1.5
121.06493	11.4
122.06741	0.4
123.04439	5.3
123.05544	40.3
123.08063	100.0
123.09898	5.7
123.11609	2.6
124.03938	17.7
124.04930	1.0
124.05878	1.4
124.07561	2.2
124.08629	12.7
124.11138	0.6
125.05983	1.3
125.07184	0.5
133.07591	0.6
135.05519	0.8
137.02930	7.1
140.03407	1.4
141.05055	0.9
142.03423	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36886	0.1
58.99855	0.2
60.00636	0.2
71.37685	0.2
82.17182	0.1
82.99815	0.8
83.01513	0.3
84.01151	0.1
100.02486	1.4
101.00869	12.9
101.02547	2.4
101.26096	0.1
102.01000	0.4
102.02240	1.4
118.03529	0.8
119.01912	100.0
120.02010	5.3
120.03269	1.2
121.02330	0.4
124.02446	0.3
135.15703	0.1
137.02945	49.8
138.03036	3.1
139.03326	0.3
142.03484	4.4
143.03545	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.03462	0.5
55.01878	0.4
55.05507	0.3
56.05029	2.2
56.96563	4.5
57.03428	0.5
58.06591	1.0
58.99863	0.3
59.07377	0.4
60.08174	0.3
66.03459	0.3
67.04275	0.4
67.05505	0.7
68.05028	1.3
69.03433	0.4
69.04555	0.4
69.05350	0.3
70.06586	0.6
70.11411	0.6
70.11803	0.6
71.95251	0.3
74.06081	0.3
77.00870	0.9
78.04709	1.5
78.06334	1.1
79.05491	1.1
80.05009	4.8
81.04543	1.8
81.05354	0.8
81.05782	0.3
81.07056	0.4
82.05313	0.4
82.99837	0.7
83.06096	3.5
89.00909	0.2
95.01292	0.3
95.01939	0.3
95.04971	0.6
95.06079	0.4
95.56127	0.3
96.04489	4.5
96.05279	1.1
96.06873	0.4
96.08098	0.6
97.02887	1.0
97.05257	0.4
97.07642	2.0
98.97565	0.7
100.02463	1.2
101.00867	10.1
101.02530	1.7
102.00949	0.5
102.02241	1.0
102.50137	0.3
106.06501	0.3
107.04976	0.4
107.06078	3.1
112.03957	0.6
116.98613	0.6
117.10257	1.1
118.03521	1.2
119.01907	100.0
120.01986	6.3
120.03276	0.9
121.02316	0.4
123.04411	0.9
123.36331	0.2
124.02536	0.4
124.03944	10.2
124.04951	0.7
124.05235	0.6
124.05946	1.7
124.06719	0.3
124.07592	1.7
124.08696	5.0
124.11197	0.3
125.06081	0.3
125.07115	1.3
125.10687	0.3
127.22655	0.2
133.03508	0.3
137.02939	60.4
138.03008	3.5
140.03377	0.5
142.03482	5.3
143.03687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
53.03938	2.6
55.05509	3.1
56.99980	0.4
64.97597	0.5
65.03929	0.8
66.04739	0.5
67.05501	22.7
68.05846	0.4
69.03424	1.0
69.98386	2.4
74.50109	0.5
77.03925	0.9
78.63020	0.4
79.05488	14.3
80.05013	2.6
80.06260	2.4
81.03364	0.6
81.04494	0.5
81.07053	2.6
83.06111	0.8
90.04715	0.8
91.05466	1.0
93.01858	0.4
93.07040	5.7
95.04966	9.8
95.08601	47.2
96.04480	1.6
96.08946	2.3
97.07647	0.6
100.02475	2.8
103.05477	3.1
105.04505	0.7
105.07021	19.3
106.07380	1.2
107.04949	13.9
107.06078	0.8
108.05731	83.8
109.06050	3.4
118.03548	2.4
119.01912	0.7
121.06507	13.2
123.05581	4.9
123.08064	100.0
124.03953	2.1
124.08394	4.7
125.05984	2.1
135.05521	0.7
137.02936	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	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02378	2.1
53.03944	8.6
54.03459	3.9
55.01870	2.6
55.05508	26.1
56.05034	7.4
57.07070	2.1
58.06592	1.1
65.03934	4.8
67.05499	100.0
68.05014	6.0
68.05824	3.2
69.03424	2.4
69.04565	1.8
69.07066	2.0
70.06574	3.5
71.29475	1.3
77.03939	1.7
79.02193	2.6
79.04996	1.0
79.05487	29.6
80.05014	30.9
80.05803	1.7
80.06282	3.5
81.03420	3.4
81.04533	8.4
81.05789	6.3
81.07050	44.1
82.01467	1.3
82.02937	0.9
82.05325	1.9
82.06583	3.7
83.06100	12.4
91.05458	4.8
92.52711	0.8
93.07037	20.2
94.06581	1.6
95.04965	58.7
95.06063	2.7
95.08600	96.0
96.04486	17.7
96.05267	1.7
96.08134	12.7
96.08937	3.7
97.07664	5.8
100.02483	15.0
103.05479	2.0
105.03388	2.4
105.04523	2.8
105.07022	10.7
106.02896	0.9
106.06568	3.7
106.07361	3.7
107.04961	5.9
107.06075	8.6
108.05730	31.2
108.07625	5.1
108.09234	0.8
109.05292	1.1
112.03988	3.2
118.03517	14.4
119.01901	10.6
119.03617	1.7
121.06453	4.7
123.04464	11.5
123.05569	45.5
123.08082	66.2
123.09093	2.0
123.09923	6.5
123.11700	8.3
124.03941	20.8
124.04808	1.5
124.05917	1.5
124.07603	14.8
124.08705	19.2
125.06012	1.0
137.02948	6.5
140.03424	1.8
142.03586	1.2
144.81866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
52.91333	0.6
53.03935	3.2
54.03463	0.6
55.05498	3.1
56.05038	0.6
65.03915	0.9
67.05498	21.7
68.05009	1.2
71.20813	1.4
77.55380	0.6
79.02164	0.8
79.05491	12.9
80.05009	5.8
80.05813	0.9
80.06258	2.5
81.04523	1.0
81.07037	3.2
82.01457	0.8
83.06082	1.9
86.08435	0.6
88.96213	0.6
91.05463	1.2
93.07047	6.1
95.04969	13.4
95.08598	44.7
96.04504	2.4
96.08926	1.9
97.07632	0.9
100.02465	4.1
103.05468	2.8
105.04539	1.0
105.07021	18.6
105.99524	0.7
106.07366	1.0
107.04953	13.1
107.06081	1.2
108.05730	76.0
109.06056	2.1
118.03511	4.3
119.01913	2.6
121.06499	12.2
123.04471	1.7
123.05554	9.4
123.08060	100.0
124.03955	2.2
124.08404	5.2
125.05988	1.2
137.02942	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	123.0554
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
50.24236	0.3
53.03949	0.8
56.96569	0.2
57.03430	0.8
58.06602	0.3
61.01146	7.1
62.01921	1.1
62.30976	0.3
63.99850	10.8
70.89983	0.7
71.97346	0.2
77.00885	0.6
78.03448	5.7
78.06339	0.3
79.02184	100.0
80.02106	0.5
80.02529	0.9
80.05007	21.1
81.03412	0.4
81.05356	0.3
82.01436	0.9
89.00932	0.3
95.01953	0.4
95.04948	2.6
96.04487	7.9
100.02479	6.7
101.00842	1.6
101.02549	0.4
105.04530	0.3
106.02906	10.5
106.05296	0.3
107.03246	0.3
118.01113	0.4
118.03506	4.1
119.01910	9.8
123.04755	3.4
123.05538	44.2
124.03943	6.2
124.05896	1.2
131.01865	0.5
137.02948	3.2
142.03445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03938	9.3
54.03466	2.8
55.01863	1.9
55.05507	4.3
56.05030	5.6
65.03908	1.9
67.05502	26.0
68.05030	5.4
69.04517	1.7
69.43092	2.5
69.43494	10.2
70.06590	1.8
77.03944	1.4
79.02196	4.9
79.05487	14.6
80.05014	30.2
80.06291	2.8
81.03407	2.0
81.04547	6.4
81.07048	22.2
82.01441	4.0
82.05313	1.5
82.07362	1.2
83.06086	7.3
91.05487	2.6
93.07037	4.9
95.04962	71.3
95.08597	45.1
96.04489	13.8
96.05332	2.5
97.07667	6.8
100.02467	25.6
101.02586	2.1
103.05489	2.6
105.04442	2.8
105.07021	15.4
106.07356	2.2
107.04950	10.2
107.06087	6.5
108.05730	73.1
109.06073	2.7
112.03972	4.7
118.03510	23.0
119.01917	8.5
119.03619	2.4
119.16827	1.7
121.06494	16.7
123.04450	12.6
123.05562	46.5
123.08072	100.0
123.10014	4.8
123.11730	3.0
124.03947	19.7
124.07610	3.0
124.08684	13.7
125.05991	1.7
137.02931	7.5
140.03419	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	123.0475
Annotation	thiodiglycol
Peak:m/z	Relative Intensity
53.03951	0.2
55.01861	0.2
57.03441	0.8
58.99870	0.5
61.01145	6.1
62.01931	0.9
62.99068	0.5
63.99852	8.7
69.03450	0.3
76.82437	0.2
77.00905	0.2
78.03452	0.3
78.52942	0.2
79.02186	100.0
80.02100	0.3
80.02498	1.0
80.05005	1.6
81.03409	0.3
82.01447	0.4
87.46474	0.1
88.02659	0.2
95.04961	0.5
96.04506	0.6
99.55976	0.2
100.02475	3.9
101.00865	1.3
101.02591	0.2
102.02417	0.4
106.02901	0.5
118.01137	0.4
118.03510	2.8
119.01911	9.1
120.03400	0.2
121.01649	0.3
123.04748	4.0
123.05567	3.9
124.03916	1.4
131.01912	0.4
133.03470	0.3
137.02945	4.4
141.02684	0.3
142.03467	0.8
143.61679	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	123.0554
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02373	0.7
53.03941	2.4
55.01868	1.0
55.05506	0.5
56.05011	0.2
56.96558	6.1
57.03442	1.9
58.06596	1.6
58.99855	1.9
59.07378	0.9
60.08160	0.7
61.01141	2.8
61.02921	0.5
62.01925	0.4
62.99092	0.3
63.99851	3.9
65.03940	0.5
67.05501	3.4
68.00254	0.6
68.05025	1.0
69.03440	0.8
70.99854	0.3
71.04984	0.3
71.29689	0.7
71.95270	0.4
73.02905	0.4
77.00871	2.4
77.03934	0.5
78.03456	3.9
78.06316	2.0
79.02185	39.7
79.05466	1.4
80.01331	0.3
80.02554	0.4
80.05008	56.2
81.03423	1.3
81.05343	0.9
81.07050	2.4
82.01424	1.9
83.59839	0.3
84.08163	0.3
85.02892	0.6
86.01255	0.6
89.00887	0.5
91.00503	0.3
92.01318	0.4
92.07854	0.3
95.01373	0.4
95.01949	1.2
95.04961	28.1
95.06046	1.0
95.08600	0.8
96.04482	23.1
96.08101	0.5
97.02325	0.6
97.05266	0.9
98.01253	0.4
98.97569	2.2
99.09244	0.5
100.02472	28.6
100.07622	0.3
101.00861	4.3
101.02551	1.7
102.02400	0.3
105.03399	0.5
105.04517	1.5
106.02903	7.8
106.07361	0.8
112.03947	0.8
116.98614	2.8
117.10242	1.6
118.01138	1.1
118.03509	30.0
119.01910	47.0
119.03591	2.4
123.04575	5.5
123.05537	100.0
123.11654	0.4
124.03944	25.4
124.05869	2.4
124.07597	0.4
127.85468	0.3
131.01872	0.9
133.03447	1.1
134.34091	0.3
134.99641	2.3
136.04543	1.2
137.02942	30.5
140.03362	0.6
141.05055	0.9
142.03467	3.0
143.03587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.3
53.03938	10.7
55.01869	1.5
56.05033	1.0
56.96292	0.8
56.96558	13.1
57.03426	1.7
58.06576	1.2
61.01134	0.7
63.99844	1.3
65.03931	1.0
67.05499	6.6
68.05030	1.4
70.06557	0.6
71.29655	1.2
74.62766	0.6
77.00809	2.7
77.03928	4.1
78.03452	5.1
78.04687	1.3
78.06319	2.7
79.02182	13.7
79.05462	2.0
80.05007	42.1
81.03387	2.1
81.04530	1.3
81.05322	0.8
81.07047	1.1
82.01427	4.1
82.99811	1.0
83.00758	0.8
83.06088	1.7
85.02864	0.8
91.02389	0.6
92.01307	1.1
94.06551	0.9
95.04958	81.2
95.08572	0.8
96.04481	22.0
96.05515	1.1
98.97570	7.1
100.02473	33.2
101.00870	11.3
101.02576	1.9
102.02422	0.9
105.03375	2.8
105.04478	3.7
106.02887	8.9
106.07349	1.0
107.06065	1.1
112.03954	0.8
116.98615	4.6
117.10268	0.9
118.01120	0.8
118.02646	1.1
118.03505	27.6
119.01907	100.0
119.03657	2.3
123.04427	33.4
123.05537	81.7
123.09137	2.0
124.03938	45.9
124.05856	1.5
124.07581	1.7
124.08679	1.8
128.98488	0.6
134.99652	2.5
136.04570	1.6
137.02942	54.6
142.03500	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	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.0
53.03946	10.1
55.01871	1.8
56.05017	0.8
56.96561	11.9
57.03424	1.0
58.06601	1.3
58.99859	1.6
61.01157	1.1
61.18286	0.7
62.99055	0.7
63.99852	1.4
65.03960	0.8
67.05510	5.1
68.05026	2.3
69.04548	1.0
70.06597	1.0
70.42865	2.1
70.43262	1.6
71.95249	0.8
73.02900	0.8
77.00828	3.0
77.03928	4.6
78.03441	7.2
78.06328	1.5
79.02187	14.8
79.05473	1.3
80.05013	54.2
81.03406	1.7
81.04564	0.9
81.05363	1.3
81.07061	1.7
82.01445	2.6
82.02873	0.7
83.00761	0.8
83.06132	1.7
83.57896	0.6
86.01291	1.2
90.89079	0.7
92.01306	0.9
95.04964	97.2
96.04487	23.0
96.05626	1.7
98.97570	6.4
100.02474	24.7
100.03132	1.5
101.00880	9.5
101.02584	2.1
105.03407	3.1
105.04504	4.0
106.02902	9.6
106.06542	0.7
107.06084	1.3
116.98611	5.2
117.10259	0.9
118.03513	26.9
119.01912	100.0
121.77067	0.7
123.04428	38.8
123.05539	92.0
123.09140	1.7
124.03947	61.9
124.05874	3.3
124.07590	1.8
124.08697	2.7
131.01869	1.0
133.03427	1.1
134.99646	2.6
136.04527	1.2
137.02948	55.9
141.52759	0.7
142.03456	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01862	0.7
56.96563	1.0
57.03427	2.0
58.06595	1.3
58.99846	1.9
59.07374	1.0
61.01148	5.1
62.01936	1.2
62.99085	0.5
63.99854	9.9
65.03936	0.7
67.05497	2.2
67.34030	0.4
68.02636	0.5
68.05017	0.6
69.03413	0.7
70.99861	0.6
71.03917	0.8
71.04247	0.7
77.00909	2.2
77.03948	0.5
78.03454	3.3
78.06323	1.8
79.02185	100.0
79.05482	1.3
80.02534	0.9
80.05008	29.2
81.03418	1.5
81.05309	0.4
81.07048	1.0
82.01437	4.6
85.02921	0.6
86.03683	0.5
88.02682	0.5
89.00923	0.4
93.07063	0.5
94.28032	0.5
95.01913	0.8
95.04961	24.5
95.08584	0.5
96.04488	11.5
96.05247	0.6
97.05289	0.9
98.97579	1.0
99.09192	0.9
100.02473	49.9
101.00865	5.3
101.02560	2.5
102.02335	0.5
105.04514	1.4
106.02908	5.0
107.01870	0.4
112.03952	0.7
117.10271	1.6
118.01157	1.4
118.03511	41.0
119.01910	40.6
119.03591	4.0
119.10481	0.4
123.04619	4.7
123.05538	65.5
124.03942	10.3
124.05874	1.8
124.07590	0.7
131.01895	1.6
133.03464	1.2
136.04515	1.0
137.02943	20.8
140.03395	0.4
141.02681	0.5
141.05043	1.1
142.03506	2.5
142.60692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99865	1.5
60.89097	0.3
70.64404	1.3
77.00908	0.5
82.01432	6.9
82.99831	0.6
83.01507	0.7
91.85220	0.3
96.63669	0.3
100.02472	70.5
101.00866	10.6
101.02525	4.7
118.03512	55.5
119.01907	100.0
119.03625	4.9
123.04016	1.2
123.05601	0.5
136.04555	1.6
137.02943	57.0
138.00125	0.4
138.49875	0.5
139.03339	0.4
141.05109	1.1
142.03479	5.9
142.04480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02373	0.8
51.29479	0.4
52.85412	0.5
53.03946	5.5
54.03467	1.1
55.05505	0.6
57.07104	0.4
59.67489	0.4
61.15955	0.4
65.03934	0.7
67.05492	0.8
70.21993	1.9
77.03923	1.2
79.05492	38.3
80.05822	1.2
81.03416	0.8
81.04514	2.2
81.07040	0.5
81.30661	0.4
82.05323	1.4
91.05479	11.9
93.07041	15.6
94.07342	0.9
95.04968	12.6
96.05279	0.4
98.20909	0.5
103.05467	21.1
104.05802	0.7
105.04570	2.5
105.07026	100.0
106.07288	2.8
106.07941	5.6
107.07348	5.6
107.08060	0.9
114.19512	0.5
119.08576	14.6
120.08901	0.9
121.02881	0.7
121.06532	3.3
121.10139	49.3
122.06143	0.9
122.07150	8.3
122.09654	7.9
122.10479	2.6
123.08058	15.2
124.08379	0.6
133.07616	5.4
138.06725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01583	0.9
51.02377	1.9
53.03942	20.7
54.03468	2.9
54.04282	0.6
55.01868	3.5
55.05498	0.7
56.96558	4.3
57.03434	0.8
60.04514	0.9
65.03937	4.9
67.02975	1.0
67.05497	2.0
68.05016	2.2
70.06597	0.8
71.34153	1.0
73.02879	0.5
77.03935	2.7
79.05488	4.4
80.05016	1.5
80.91296	0.5
80.93089	0.7
81.03431	2.3
81.04532	5.6
81.05788	1.5
81.07035	0.5
82.05315	9.3
86.06250	0.5
91.05473	59.1
92.01261	0.5
92.03456	0.5
92.05814	1.9
93.04514	1.0
93.07034	47.0
94.06556	1.9
94.07384	1.0
95.04961	52.6
95.06027	8.2
96.05309	1.3
96.45870	0.5
98.97592	1.2
102.04683	2.2
103.05458	100.0
104.05779	5.1
105.04507	9.3
105.07019	3.6
107.04880	0.6
107.07288	1.0
111.04413	1.3
116.98592	1.1
119.01838	0.6
121.02866	4.6
121.03974	1.9
121.06494	66.3
121.08408	2.3
121.10110	1.3
122.06010	1.2
122.07150	18.7
122.09634	3.3
134.99640	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02373	1.9
53.03941	25.1
55.01869	3.5
56.96557	1.8
65.03930	1.6
68.99783	0.7
70.14695	2.6
71.30485	0.6
75.25912	0.7
77.03922	4.7
79.05492	1.0
81.03414	2.2
81.04533	0.5
82.54217	0.6
85.03383	0.5
91.05473	77.8
92.05795	2.3
93.07034	65.7
94.07363	2.2
95.04961	53.1
96.05303	1.2
97.86720	0.5
98.97569	0.6
102.04682	2.4
103.05457	100.0
104.05814	3.2
105.04503	10.4
121.06492	99.6
122.06839	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	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.05564	0.5
53.03941	2.2
54.74170	0.5
56.96560	1.0
59.06118	3.4
64.13338	0.5
65.03935	5.4
66.04357	0.6
71.59251	0.6
74.06071	0.8
74.86369	0.5
76.93358	0.8
77.03506	1.2
77.93372	0.9
78.04694	0.8
78.93111	2.8
79.05485	5.8
82.86028	0.7
87.05608	0.6
91.05471	100.0
92.04995	1.9
92.05804	2.5
93.04522	0.7
93.07039	6.7
95.04955	4.6
95.94438	0.6
96.05281	1.7
96.94126	0.8
103.05451	15.3
104.06241	10.5
105.04505	0.9
109.06467	1.0
115.05434	4.9
117.07001	33.1
118.07318	1.2
119.04926	1.4
119.06192	3.9
119.06834	2.4
119.08566	67.1
120.04461	2.1
120.05549	3.9
120.08083	3.6
120.08910	3.6
120.84003	0.6
121.06461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.02
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01859	1.6
55.05519	2.5
56.05022	1.0
56.96560	41.6
57.03411	1.6
58.96123	0.5
58.99857	0.6
60.04502	1.6
60.95850	3.6
65.03931	5.2
67.05499	2.9
68.05837	0.6
69.03408	2.9
70.20278	2.4
71.04989	1.0
71.95274	2.7
72.04520	0.9
74.97592	1.0
77.00880	1.3
78.93106	0.6
79.00646	0.6
79.03034	0.5
79.05466	1.3
80.06257	0.7
81.02841	0.7
81.03397	1.9
81.05783	0.5
81.07059	0.9
83.00768	0.8
83.04984	1.2
86.52673	0.6
87.50036	1.1
87.53477	0.6
91.05463	4.4
92.05004	3.6
92.05801	1.6
93.01869	0.8
93.04528	1.8
93.07028	2.4
95.01925	1.8
95.04964	2.0
95.08592	0.6
96.50554	5.5
97.02873	0.7
98.21451	0.6
98.52859	0.6
98.97572	7.5
100.02473	8.0
101.00869	0.7
101.02536	1.7
102.02222	3.4
102.96892	1.5
103.00558	0.7
103.02431	4.8
103.05441	2.2
103.53696	1.0
105.02177	1.7
105.07047	1.2
105.51084	1.9
106.01028	0.6
106.02655	2.3
106.54213	0.6
106.96532	1.0
108.05106	1.4
111.04433	12.7
115.03132	0.8
115.97074	2.2
116.03062	0.7
116.98611	14.9
117.05670	1.7
117.98896	0.6
118.01074	1.2
118.03497	7.6
118.54224	0.6
119.01920	14.2
119.02785	1.0
119.03671	2.2
119.04854	0.7
120.01991	8.8
120.03276	4.2
120.04518	3.8
120.05568	7.6
120.08083	1.9
120.97913	2.7
121.01656	4.7
121.02712	1.0
121.03450	4.5
121.04790	1.0
121.06477	2.3
122.03598	0.8
123.03208	2.4
123.04024	0.5
124.97556	14.2
127.47836	0.5
129.55925	0.6
131.01888	1.1
131.03734	0.6
133.98085	100.0
134.98341	1.6
134.99646	30.9
136.00023	0.8
136.48352	2.4
137.02959	11.5
138.03043	9.1
138.98946	6.9
139.02667	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03937	2.7
55.81340	1.0
65.03925	5.3
68.51724	1.1
74.37693	1.1
78.04683	1.3
79.05481	6.2
91.05473	100.0
92.04984	1.4
92.05815	2.8
93.07018	5.6
95.04946	4.9
103.05460	12.3
104.06232	11.5
109.06499	2.5
115.05446	7.4
117.07014	28.6
119.06065	3.3
119.08567	74.5
119.12627	1.3
120.04487	1.3
120.05564	2.4
120.08910	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03940	2.0
54.04301	0.6
55.01870	0.4
56.05025	0.9
56.96564	1.1
58.26310	0.3
59.06122	11.0
60.04514	2.0
61.02924	0.5
65.03937	9.7
71.12669	1.0
72.08151	0.4
74.06065	2.3
76.93353	0.7
77.03508	0.4
77.93375	1.1
78.04702	1.3
78.93111	2.5
79.05490	5.2
87.05582	1.7
91.05473	100.0
92.04991	3.3
92.05814	3.3
93.04543	0.5
93.07045	3.9
95.04959	4.4
96.05296	1.0
96.94164	0.6
103.05463	14.7
104.05614	0.6
104.06250	8.1
105.04505	0.7
106.04906	0.5
109.06489	1.2
110.06035	0.5
113.96378	0.7
115.05448	4.7
117.07010	22.5
118.06577	0.6
118.07364	1.1
119.04937	8.0
119.06056	5.7
119.08572	54.6
120.04501	2.4
120.05586	4.1
120.08086	5.7
120.08920	1.9
120.96496	0.4
121.06479	0.5
122.87528	0.4
123.20350	0.4
131.97449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02385	0.6
53.03938	2.4
54.04275	0.4
54.76403	0.3
56.05032	0.5
56.96557	0.5
59.06119	4.8
60.04518	0.9
65.03594	0.7
65.03931	10.0
65.04275	0.6
67.05495	0.7
70.08470	0.3
70.52489	0.4
71.36494	0.4
72.93884	0.3
73.88804	0.3
74.06078	1.1
78.04694	1.4
78.93108	0.9
79.05054	0.5
79.05489	7.9
87.05585	0.7
91.05472	100.0
92.05001	1.0
92.05806	2.7
93.07045	5.3
95.04958	4.9
95.94423	0.5
96.05304	1.3
102.04654	0.5
103.05454	12.5
104.06242	11.6
105.04514	0.8
105.07053	0.5
109.06510	1.2
115.05453	5.6
117.07010	16.9
118.07314	0.7
119.04949	7.1
119.06208	1.7
119.08568	78.3
120.04453	1.0
120.05614	1.7
120.08083	3.4
120.08906	3.2
121.06489	0.5
121.12549	0.3
131.06033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
59.06118	1.3
60.04511	0.4
65.03934	20.6
70.04822	1.3
70.05235	0.9
79.05492	0.8
81.04929	0.5
91.05472	100.0
92.04976	0.7
92.05820	3.1
93.07066	0.6
95.04977	0.9
103.05447	2.5
104.06209	1.2
107.66142	0.4
111.04438	0.6
115.05430	0.9
117.06974	2.4
118.04113	0.7
119.04930	31.1
119.08568	8.8
120.05324	1.0
120.08086	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
56.82609	0.4
56.96566	0.8
58.06572	0.5
58.40544	0.4
59.05912	0.4
59.06127	5.0
59.23894	0.4
60.04520	1.8
65.03939	22.8
66.63248	0.5
71.15833	1.0
74.06067	1.0
78.93123	1.2
87.05555	0.8
91.05478	100.0
92.04987	2.5
92.05807	3.5
95.04984	1.2
96.94192	0.5
102.05512	0.5
103.05495	2.3
110.06074	0.6
111.04465	0.6
117.06966	1.0
119.04942	30.8
119.05894	1.1
119.08585	3.4
120.04571	2.2
120.05540	1.9
120.08120	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	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03939	0.8
56.05020	0.6
59.06121	3.6
60.04517	1.0
65.03934	19.8
69.76890	2.3
74.06063	0.4
76.93372	0.4
77.03910	0.5
78.93115	0.9
79.05492	0.7
87.05573	0.7
91.05472	100.0
92.05007	1.6
92.05789	2.7
93.07037	0.8
95.04946	1.2
103.05450	2.7
104.06256	1.2
111.04459	0.5
115.05491	0.4
117.07015	1.7
119.04937	28.6
119.06045	5.3
119.06803	0.7
119.08573	6.9
120.04490	0.8
120.05431	1.8
120.08051	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0864
Annotation	Betaine
Peak:m/z	Relative Intensity
50.80431	0.3
53.13848	0.3
54.49087	0.3
58.06598	43.0
59.04983	1.2
59.07380	39.9
60.07718	0.8
60.08150	1.1
69.03422	3.0
71.04970	0.6
71.58869	0.6
72.08144	1.2
81.86805	0.3
82.06567	1.1
87.04468	9.8
91.05486	0.8
91.28027	0.4
100.07610	3.1
108.21497	0.3
118.08647	100.0
119.01881	0.5
119.09002	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	5.7
56.96556	12.1
58.17635	2.2
59.06103	14.0
61.02934	2.7
65.03928	4.8
67.05501	23.6
69.03413	12.0
71.58512	4.3
74.02915	2.5
77.00913	4.0
79.05483	8.0
80.06277	9.9
81.07055	3.6
89.03458	3.9
91.05473	40.5
93.03719	3.2
93.07021	8.7
95.04958	6.1
100.02470	20.8
101.00871	7.2
103.02438	25.2
105.02198	3.0
107.05239	16.0
111.04435	4.9
116.05769	17.7
116.55902	3.7
117.05692	6.1
118.03526	16.2
118.56071	2.5
119.01912	100.0
119.03602	4.5
119.08608	5.0
119.46165	2.5
120.02000	7.4
120.03248	3.8
120.04486	3.4
121.03468	25.3
122.03548	4.2
123.03179	3.1
129.03992	4.8
132.28333	2.7
133.03482	5.0
133.60350	2.9
133.98080	7.1
134.99649	2.8
137.02945	60.6
138.03036	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	119.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42456	0.8
53.03936	2.1
53.11736	1.0
55.05498	1.0
56.05032	8.7
56.96556	8.6
58.06605	5.0
59.06118	37.9
59.06916	0.9
60.04213	1.6
60.04519	25.2
61.02909	2.3
61.92851	1.4
62.06073	3.4
65.01419	1.0
65.03938	11.0
67.02979	6.9
67.05490	1.0
69.03409	1.8
71.58440	1.0
72.04507	1.8
72.06890	1.7
72.08147	3.1
73.02900	1.2
73.04037	1.1
73.08482	1.9
74.06068	10.4
76.93327	2.0
77.93373	3.4
78.93130	8.0
79.05480	3.4
83.06094	2.1
84.04484	2.4
84.08138	1.7
86.06023	1.0
87.05589	6.3
91.05473	100.0
92.02481	17.9
92.04993	9.1
92.05794	3.5
93.04523	1.8
93.07029	5.1
94.94395	0.9
95.04959	2.5
95.94411	1.9
96.94141	3.8
100.02469	1.4
101.07121	4.9
102.02187	1.2
102.05508	3.1
102.09176	1.3
103.05453	17.5
104.06223	2.1
106.02879	0.9
111.04485	1.2
112.07603	2.1
116.05434	1.1
117.07022	3.2
118.03529	2.0
119.01860	2.6
119.03540	95.3
119.04936	7.0
119.06039	10.4
119.06852	2.3
119.08603	8.9
119.95748	0.9
120.03185	1.2
120.04490	4.3
120.05574	12.3
120.06413	1.6
120.08096	19.4
131.29530	1.0
137.02928	2.9
137.04568	2.8
137.65102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01582	1.7
51.02371	5.7
53.03942	45.5
55.01852	2.6
55.05516	1.1
59.06110	4.0
59.93089	2.2
62.49671	1.1
65.03922	2.3
66.21401	1.0
69.71175	2.3
69.71584	5.4
70.06577	6.6
72.08123	2.8
75.05607	1.3
76.93362	20.7
77.03921	10.2
79.05485	1.5
81.03398	3.7
84.08118	4.0
89.31830	1.2
91.05471	27.8
94.94405	4.6
95.04958	100.0
96.05293	3.5
97.91058	1.2
98.20773	2.0
100.07623	1.5
103.05481	2.2
104.06197	2.4
105.04501	16.3
117.06998	4.9
117.95989	1.3
118.06528	70.6
119.04966	1.9
119.06066	1.7
119.06871	3.3
119.08562	17.6
122.82024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01590	2.3
51.02367	5.9
52.33339	1.4
53.03705	2.6
53.03946	45.8
55.01849	1.6
55.05493	1.6
61.96984	1.3
70.99097	3.9
72.08153	4.1
76.93356	8.2
77.03915	8.0
79.05464	2.0
79.14798	1.5
81.03408	4.7
91.05476	39.1
91.92902	1.3
93.07052	1.5
94.94405	3.0
95.04968	100.0
96.05312	2.9
103.05470	2.8
103.21239	1.4
104.06232	4.2
105.04513	19.0
115.05433	2.4
116.05792	5.0
117.07010	6.1
118.06542	71.2
118.07307	3.7
119.06094	2.8
119.06870	2.3
119.08570	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.80371	0.8
53.03933	2.8
56.05029	2.1
56.96545	3.8
58.02944	3.6
58.06578	3.0
59.06118	7.9
59.93103	6.9
60.04523	4.5
60.06435	1.7
60.93637	0.9
65.03930	3.4
65.50386	0.9
70.04131	4.4
72.04521	6.5
72.08157	5.0
74.06056	1.9
75.05588	2.2
76.03977	1.2
76.93363	54.7
77.93401	1.5
83.01339	1.2
84.01299	1.1
90.49103	0.8
91.05473	64.4
92.05822	1.6
94.94393	16.6
95.04959	5.2
112.95423	1.6
117.05752	7.1
117.95968	5.8
118.06537	100.0
118.08662	3.7
118.96784	2.7
119.04943	3.1
119.06062	2.5
119.06871	4.0
124.24530	0.9
135.97021	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	112.0508
Annotation	Cytosine
Peak:m/z	Relative Intensity
52.01899	0.4
53.35069	0.2
55.15252	0.2
56.48526	0.2
56.96560	2.7
67.02983	1.4
67.05500	0.2
68.01379	1.4
69.04546	10.2
70.02574	0.3
70.02948	5.1
70.06596	0.7
70.94247	0.9
70.96139	0.6
71.02456	0.3
71.94094	1.9
81.94639	0.2
84.08130	1.2
94.04041	4.4
95.02443	34.2
96.00846	2.4
96.02814	0.3
98.01308	0.3
112.05077	100.0
112.11250	1.3
113.02354	0.9
113.03484	7.4
113.04701	0.3
113.05381	1.1
113.10780	0.2
116.63691	0.2
117.09742	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	112.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01904	0.5
54.03471	2.1
55.05505	1.9
56.05038	1.3
56.96288	0.5
56.96562	9.6
57.03421	0.7
58.06581	0.9
64.95547	0.6
67.02972	1.2
67.05511	0.6
68.01373	1.0
68.05005	0.8
69.03426	2.4
69.04549	10.1
69.07034	0.3
69.98050	1.5
70.02946	2.1
70.06585	4.3
70.94250	1.8
70.95867	0.3
70.98100	0.6
71.02489	0.4
71.04964	0.3
71.94101	4.2
71.95255	1.1
81.04532	3.2
82.06562	0.5
83.04991	0.4
83.06094	0.4
84.04482	0.3
84.08134	11.3
85.25615	0.3
86.06044	0.7
88.95302	0.3
88.96888	0.3
88.99149	0.3
89.95121	0.4
91.53692	0.3
94.04050	4.4
94.06579	0.6
95.02444	30.6
95.06083	0.9
96.00880	0.5
96.02136	0.4
96.02743	0.3
96.08136	0.6
96.80340	0.3
98.03963	0.5
100.02470	1.1
112.05080	100.0
112.07597	4.5
112.08705	0.9
112.09494	0.6
112.11230	11.8
113.02349	1.8
113.03477	2.2
113.04749	0.3
113.05412	1.4
113.07113	1.7
113.10725	0.4
113.11535	0.3
115.02418	0.3
116.98655	0.5
118.03524	1.3
119.01854	0.3
120.03384	0.3
125.82366	0.3
129.03949	0.3
130.04106	0.3
131.00151	0.5
133.03462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
77.93208	0.1
79.97942	0.1
81.03410	1.4
83.04975	0.3
85.02894	4.1
86.09679	0.1
87.04468	0.1
89.03886	0.2
91.03936	0.1
91.05521	0.1
95.00388	0.1
95.04959	0.2
97.02884	1.0
99.04436	0.4
103.03927	0.1
107.01316	0.2
107.04932	0.1
109.02872	1.1
111.00796	0.3
111.04403	0.2
115.03877	0.1
117.03348	0.1
119.04928	0.2
121.02857	1.3
121.06488	0.1
123.04408	0.4
127.03901	2.3
129.05458	0.5
133.02818	0.1
133.04939	0.3
135.04390	0.4
137.02332	8.6
137.03391	0.6
138.74039	0.1
139.03859	0.1
145.02841	0.4
145.04939	0.8
147.04388	0.4
147.06462	0.1
149.02315	0.4
153.01813	7.7
159.04318	0.1
161.02306	0.4
161.05988	0.1
163.03900	2.5
165.01877	0.3
171.02901	0.5
171.04285	0.1
175.03941	0.3
177.01859	0.2
177.05473	0.3
179.03281	0.1
183.03088	0.1
187.03937	0.3
187.06024	1.1
189.01892	0.2
189.05536	0.2
191.03450	0.2
195.02902	0.2
199.03932	0.1
200.04550	0.1
201.05505	0.2
203.03384	1.3
205.04987	0.6
205.07079	1.4
207.02827	0.9
211.03923	0.1
213.05450	0.2
215.03397	0.3
216.04202	0.2
217.04918	0.8
227.03436	0.4
228.03992	0.2
229.04942	0.5
231.02928	0.3
239.03415	0.2
241.04997	0.1
243.02875	0.4
244.03737	0.3
245.04420	1.1
247.05917	0.1
251.14476	0.1
253.04976	0.1
255.02786	0.4
257.04288	0.5
259.06039	0.2
263.07123	0.2
265.04819	0.2
267.02777	0.2
269.04303	0.5
271.02347	1.1
273.03873	1.8
274.04681	0.2
279.06467	0.2
281.04276	0.2
283.02408	0.3
283.05963	0.2
284.03156	0.2
285.03882	1.1
287.02228	0.2
287.05609	0.5
291.06308	0.2
293.04684	0.2
293.08160	0.2
295.02405	0.2
295.06012	0.3
297.03918	2.8
298.04660	1.1
299.02045	0.2
299.05539	0.5
301.03094	0.9
302.04126	0.4
303.04813	1.7
305.04663	0.2
307.05960	0.5
309.03860	0.2
309.07364	0.2
311.02228	0.1
311.05399	0.5
313.03317	1.5
313.06570	0.1
314.03931	0.1
315.04871	1.3
317.04492	0.2
318.05170	0.1
319.06000	0.6
320.06644	0.1
321.04007	0.3
321.07703	0.3
322.04694	0.2
323.05258	0.4
325.03436	0.8
325.06747	0.1
327.04922	0.1
329.03979	0.1
331.05933	0.6
333.03986	0.2
333.07620	0.2
335.05411	0.6
336.06183	0.1
337.03650	0.6
337.06638	0.5
338.04471	0.1
339.04929	1.0
341.02954	0.2
341.06546	1.4
343.04663	0.4
346.04745	0.2
347.05469	1.2
348.06180	0.2
349.03369	0.2
349.07117	0.6
351.04965	0.7
353.06546	0.4
359.05600	0.2
361.03226	0.2
361.07181	0.2
362.22217	0.1
363.04904	0.7
364.05725	0.3
365.02530	0.1
365.06558	1.0
366.07379	0.3
367.04193	0.8
367.08566	0.1
369.02307	0.2
371.05243	0.1
375.04898	0.8
376.05646	0.2
377.06516	1.0
379.04291	0.7
380.05338	0.1
381.06161	0.5
382.07010	0.3
385.06589	0.3
387.04636	0.2
389.06686	0.3
391.04419	0.4
392.05225	1.3
393.02252	0.2
393.06165	1.8
394.06638	0.2
395.08109	0.6
397.06647	0.1
403.04639	0.4
405.06158	0.7
406.07074	0.1
407.03879	0.3
408.04871	0.1
409.05533	0.7
410.06229	0.7
411.07199	0.5
413.06235	0.5
417.06027	0.3
419.03271	0.2
419.07681	0.4
420.05142	0.2
421.05472	4.1
422.06335	0.1
423.07217	1.0
426.06741	0.1
427.07297	0.2
431.03943	0.4
431.08759	0.2
433.05505	0.2
435.03159	0.2
437.04892	0.5
441.06024	0.3
443.07681	0.3
445.05399	0.6
449.05042	0.4
451.06577	1.6
451.12274	0.2
453.04446	1.0
455.07520	0.4
459.07132	0.9
461.09091	0.1
463.06833	0.2
465.04926	0.4
467.07129	0.3
469.05417	0.5
471.07175	0.2
483.07031	0.8
485.08554	0.1
487.06601	2.6
501.08490	0.6
505.07333	0.2
511.06705	1.0
515.05804	0.5
529.07642	2.6
529.15637	0.1
531.09125	0.4
539.05853	0.5
543.05792	0.2
547.08649	6.0
548.09424	0.2
557.07092	0.8
574.07013	0.6
575.08057	2.0
585.06885	0.7
587.08154	5.3
603.07611	100.0
604.07898	2.0
615.07349	0.2
627.07428	0.6
645.08966	0.5
669.08716	0.4
693.08636	0.1
711.09741	0.5
747.11597	0.2
789.13153	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	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02373	0.6
53.03942	13.2
54.03460	0.7
55.01861	1.2
55.05257	0.7
55.05507	10.4
56.05851	0.5
56.96570	3.3
58.82555	0.4
59.80719	0.5
62.99065	5.1
65.00629	2.7
65.03937	7.0
67.05497	100.0
68.05022	7.9
68.05833	2.0
68.95271	0.8
69.04550	5.1
69.07056	6.3
71.20097	1.2
72.75111	0.5
72.93780	1.8
77.99911	0.7
79.05488	13.3
80.05007	1.1
80.05845	0.5
80.06264	1.5
80.39096	0.5
81.03410	17.8
81.04541	0.6
81.07047	34.5
82.03723	1.1
82.05317	1.0
82.06572	4.9
82.07372	1.0
83.06097	1.5
86.00695	2.5
86.50621	1.0
87.00457	16.3
90.94794	0.8
91.02332	0.5
91.05466	2.1
92.04984	1.9
93.04519	1.1
94.04179	1.3
94.07818	1.1
95.01167	0.5
95.04979	0.7
96.00977	2.6
98.51241	2.0
102.11275	0.5
105.07011	1.0
107.08588	3.9
109.02834	5.5
109.06502	8.5
109.07625	14.2
109.10140	36.8
110.06024	9.2
110.07146	18.3
110.07935	0.9
110.10417	1.1
111.04429	0.9
111.96870	0.8
113.96395	8.6
129.97861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1074.588
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	3.9
81.07051	14.4
83.04985	0.5
83.08611	3.6
85.06523	0.5
91.05473	2.5
93.07039	4.4
95.04996	0.3
95.08600	11.8
97.06518	0.9
97.10159	2.6
98.20705	0.5
99.08096	0.5
105.07023	1.8
107.08581	2.9
109.06537	0.2
109.10146	4.4
111.08073	0.5
111.11687	0.3
119.08578	2.1
121.10146	2.6
123.11697	2.1
124.01616	0.4
125.09624	0.5
131.08522	0.3
133.10129	2.1
133.11081	0.3
135.11700	1.4
137.09554	0.4
137.13206	0.5
147.11659	1.0
149.13246	0.6
151.14847	0.4
153.12743	0.2
161.13254	0.7
163.14790	0.6
165.12752	0.4
175.14772	0.5
186.47473	0.2
198.05263	0.5
216.06363	0.8
222.95351	0.2
245.22673	0.5
263.23734	0.8
264.33151	0.3
273.22473	0.2
306.27859	4.1
337.27338	100.0
338.27682	2.4
460.28085	0.7
471.95544	0.2
473.70847	0.3
478.29370	3.0
1074.60852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02380	0.6
53.03696	0.7
53.03941	9.6
54.03409	0.4
55.01620	0.5
55.01870	7.5
55.05503	3.4
56.96563	2.6
60.40964	0.4
62.99066	3.4
63.57433	0.4
65.00620	1.8
65.03942	6.6
65.28401	0.4
66.04713	1.4
66.15572	0.4
67.04230	0.5
67.05502	30.4
68.05028	3.5
69.04543	1.7
69.07057	2.0
71.22020	0.4
71.22356	0.6
72.93776	1.4
74.99802	0.5
77.00802	0.6
77.99951	0.6
79.05489	43.6
80.05013	0.5
80.05803	1.0
80.06246	0.7
81.03413	7.9
81.03857	0.7
81.04464	0.4
81.07051	44.1
82.06572	1.6
82.07373	1.0
83.06105	0.5
86.00699	2.0
86.50598	1.2
87.00461	14.9
90.94798	0.7
91.05476	13.8
92.05002	0.4
94.04172	4.0
94.07817	0.4
95.04964	2.7
95.51112	0.9
95.76427	0.4
96.00970	3.3
98.51222	1.8
105.04523	0.4
106.02831	0.6
107.04932	1.3
107.08585	1.6
108.95882	0.6
109.02888	1.6
109.06510	100.0
109.07566	4.7
109.10149	13.2
110.06033	4.1
110.07124	7.8
111.04405	0.7
111.96844	0.6
112.96738	0.5
113.96394	7.8
120.21539	0.4
129.97890	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	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.13179	0.3
51.02371	1.4
51.08509	0.4
53.03945	8.3
55.01860	1.8
63.02708	0.7
65.03937	14.8
66.03458	0.6
67.03004	0.4
67.04252	1.8
67.05501	2.4
71.59593	0.7
77.03923	2.1
79.05488	27.5
80.05018	6.5
80.05799	0.5
81.03400	1.5
91.05476	100.0
92.05744	2.1
92.06311	2.3
94.34152	0.5
95.04963	23.5
96.04468	0.5
96.05272	0.5
103.05470	0.8
105.04527	4.3
105.07027	28.4
106.06560	1.0
106.07348	1.0
107.04949	95.8
107.06103	3.9
107.08586	28.7
108.04569	0.7
108.05350	2.0
108.08155	0.7
108.08919	1.0
109.06512	16.0
110.06866	0.5
110.83430	0.4
119.06064	5.0
124.05222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.9
51.02377	6.9
52.21522	0.2
53.00299	0.4
53.03941	36.1
54.04277	0.4
55.01863	2.6
57.03406	0.2
60.04523	0.2
65.03938	0.2
67.05495	0.5
68.99795	0.6
70.86223	0.5
77.03922	9.0
79.05486	5.8
79.05944	0.2
81.03408	4.3
85.11691	0.2
87.66465	0.2
95.04958	100.0
96.05306	1.7
97.05354	0.3
103.05463	4.2
104.90828	0.2
105.03387	40.2
105.04478	18.1
105.07014	10.7
105.11045	0.2
106.03738	0.7
106.04842	0.4
114.59489	0.2
118.06548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	2.5
53.03944	12.7
55.01870	1.2
60.04535	0.8
61.08490	0.5
64.95549	1.1
65.03938	1.6
66.17397	0.4
70.21719	0.6
70.22134	1.7
77.03901	2.7
79.05487	55.1
80.05835	0.7
81.03406	1.2
85.19372	0.4
88.04790	0.5
91.05485	0.8
91.48186	1.2
95.04963	26.7
96.04495	0.5
96.05275	0.5
100.48693	1.1
103.05463	41.0
104.05760	0.9
104.90797	1.1
105.04539	6.7
105.07021	100.0
105.11057	1.2
106.06652	0.7
106.07354	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	1067.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
78.26204	0.1
81.03410	1.3
83.01289	0.2
84.08098	0.4
85.02839	0.7
90.94773	0.2
94.36963	0.1
95.06069	0.3
97.02832	0.4
99.04380	0.7
109.02798	0.7
127.03896	2.4
131.03342	0.2
132.77048	0.2
132.95761	0.4
137.02293	0.9
146.11867	0.2
147.04317	0.4
150.96928	0.9
150.97894	0.2
158.97313	0.2
170.33200	0.2
174.96864	0.3
176.98466	0.2
187.04594	0.2
187.06015	2.2
192.97888	0.2
198.96841	0.3
208.95219	0.2
211.03822	0.2
226.98024	0.2
229.04922	0.3
232.99107	0.2
234.96799	0.2
236.98425	0.2
244.98938	0.3
248.98521	0.2
252.97812	0.2
254.97292	0.2
258.96765	0.2
258.99081	0.2
262.99899	0.2
272.98389	0.7
273.03885	0.5
276.97501	0.2
277.00034	0.7
282.96793	0.7
285.03790	0.4
286.96298	0.5
287.05591	0.2
290.99423	0.3
298.96609	0.2
299.97040	0.3
300.97849	4.2
301.98511	0.3
303.04922	0.7
304.97278	0.3
310.96375	1.6
311.96780	0.2
314.95761	0.7
315.96594	0.2
316.97260	1.2
317.98068	0.4
318.98901	2.7
326.95874	0.3
327.96732	0.3
328.97382	5.0
329.97791	0.3
332.96899	0.6
333.97900	0.2
334.98352	1.3
338.95538	0.2
340.97284	0.2
341.94244	0.2
342.95331	0.7
344.96823	2.3
345.97623	0.5
346.98389	3.0
356.96759	5.8
357.97543	0.5
358.98383	0.5
359.95575	1.6
360.96429	1.0
361.01584	0.2
362.97964	3.9
363.98328	0.2
367.98538	0.2
371.95587	0.2
372.96121	0.8
373.98206	1.1
374.97925	56.3
375.98157	1.9
376.98581	0.3
386.98065	1.0
387.95032	2.6
388.95828	18.5
389.96078	0.5
390.97229	1.0
391.98624	4.1
392.98969	51.2
393.99167	1.8
394.99033	0.4
397.99539	5.3
398.98138	0.7
412.95270	0.2
414.97061	1.7
415.98087	3.8
416.98950	4.0
426.97388	2.7
427.98251	0.5
428.99066	3.3
431.00717	0.8
433.99207	3.3
435.00095	4.0
436.99942	0.2
440.99042	2.4
443.00714	0.4
452.98965	2.3
455.00400	0.4
457.00766	0.4
458.01138	0.5
459.00021	4.9
463.05173	0.6
464.98972	1.7
470.00946	0.2
470.99963	0.8
473.02423	0.2
482.01395	0.4
483.00089	4.1
489.01065	3.9
492.98511	0.4
494.02094	0.2
501.01074	2.7
506.01636	0.3
508.98035	0.9
519.01630	0.5
520.97821	0.4
525.01184	0.4
529.09497	0.3
542.03278	0.2
543.02295	2.2
545.06421	0.3
549.98468	0.3
560.03583	0.5
561.03204	23.1
562.03662	0.3
579.04486	0.7
585.01190	0.8
602.05530	0.6
603.02191	0.5
613.00598	2.9
629.00226	0.3
630.00903	0.7
631.01459	0.7
640.99768	0.7
642.00757	0.7
657.00049	1.1
658.00372	9.6
659.01019	100.0
660.01105	1.9
676.03424	0.3
700.03387	1.7
701.02594	0.3
704.06073	0.3
717.45825	0.3
765.09534	0.3
863.07806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	2.0
51.02375	6.0
53.00290	0.4
53.03942	37.8
54.04266	0.6
55.01870	1.9
56.96537	0.4
59.20255	0.3
60.04504	0.6
61.08493	0.4
65.03922	0.7
71.59611	0.6
77.03518	0.5
77.03925	8.0
79.05488	19.5
81.03410	4.0
87.00818	0.9
94.95390	0.3
95.04960	100.0
95.69454	0.3
96.04524	0.4
96.05300	1.8
103.05462	12.4
104.05835	0.4
104.90803	0.6
104.98586	0.3
105.02830	0.5
105.03391	34.5
105.04482	17.6
105.07020	34.7
105.11098	1.1
106.03725	0.8
106.04859	0.3
106.07352	1.0
113.96378	0.4
118.06577	0.7
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
58.06594	6.3
59.07375	1.9
60.08158	55.3
61.08497	0.4
62.92972	0.3
69.03411	0.2
70.74306	0.2
70.74656	0.6
79.05103	0.2
79.05489	1.0
95.04952	0.4
103.05479	0.9
104.10735	100.0
105.04488	0.3
105.07002	1.7
105.11060	1.2
107.82179	0.2
115.70697	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	5.8
59.07377	1.8
60.08158	56.2
61.08493	0.3
68.05022	0.3
69.03429	1.0
70.11436	0.3
70.11843	0.1
74.84141	0.1
76.97392	0.1
77.59750	0.1
86.06056	0.5
86.09705	0.2
87.04460	2.0
88.07626	0.1
98.21505	0.1
104.10733	100.0
105.10441	0.1
105.11055	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	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45953	0.2
58.06596	6.4
59.07375	2.2
60.08159	59.2
61.08494	0.4
62.92978	0.2
69.42500	0.7
69.42931	0.7
77.66147	0.2
79.05490	0.4
86.09700	0.2
94.25733	0.2
95.04961	0.4
103.05459	0.4
104.10736	100.0
105.06993	0.8
105.11055	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	1042.6168
Annotation	Unknow
Peak:m/z	Relative Intensity
74.01911	3.5
79.05473	0.2
80.97436	0.1
81.07037	0.6
83.08622	0.1
86.09692	41.3
87.10017	1.0
89.04240	21.0
91.05477	0.1
93.07053	0.2
94.98941	0.1
95.08605	0.4
98.98446	3.9
104.10730	3.8
104.11331	0.1
104.11477	0.1
105.06991	0.1
105.11041	0.1
107.08591	0.1
109.10154	0.2
112.99986	2.3
116.99479	0.2
119.08536	0.1
124.99986	22.1
126.00342	0.4
127.00415	0.3
135.76382	0.1
139.01529	18.5
143.01022	0.5
146.27518	0.1
163.01463	0.1
166.02620	0.2
168.07886	0.1
169.60986	0.1
184.07312	100.0
185.07674	3.6
186.07768	1.8
187.01854	2.3
187.08142	0.1
198.08876	59.4
199.09200	0.3
228.10062	0.1
258.11023	0.2
308.06485	0.9
337.27322	0.5
447.17218	0.1
502.25790	0.1
502.32901	1.5
503.33133	0.2
504.33603	0.1
520.33929	13.2
521.34314	1.9
522.34509	1.3
523.28076	0.5
523.35315	0.4
534.35480	15.7
535.35553	0.3
608.37061	0.3
644.32892	0.3
754.66644	0.1
794.78888	0.1
959.90277	0.1
1042.51794	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	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02859	0.4
53.03913	0.3
58.06306	0.3
58.06594	6.2
59.07367	1.8
60.08158	56.5
61.08491	0.8
62.92980	1.9
64.01905	0.5
70.12849	1.4
78.03464	0.4
79.05489	0.7
87.04450	0.5
95.04942	0.6
97.87674	0.3
103.05463	0.9
104.10733	100.0
105.04506	0.8
105.07022	1.8
105.11065	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.9
51.02374	3.7
53.03702	1.3
53.03942	24.9
55.01861	1.3
56.05009	1.7
56.96538	0.9
57.05347	1.7
58.06590	1.4
59.06111	1.9
60.08144	1.0
62.06077	3.2
68.11079	0.8
68.68877	0.7
69.03414	2.2
70.48633	0.7
70.63522	0.7
71.04778	2.1
75.05629	0.9
77.03917	6.0
81.03420	2.5
81.37782	0.8
86.06054	3.8
87.04468	1.8
95.04961	54.8
96.05307	1.2
101.40788	0.7
102.04675	5.6
103.05460	100.0
103.08680	7.0
104.05794	2.6
104.10718	2.1
105.04496	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	1035.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
72.93740	0.4
73.02857	0.2
79.05455	0.2
81.03410	2.2
83.01287	0.2
84.08072	0.3
85.02898	1.5
86.09666	0.2
90.94771	0.3
91.05418	0.3
97.02811	0.7
98.21361	0.2
99.04439	1.4
105.92015	0.2
109.02858	1.1
111.04333	0.2
114.98312	0.2
115.03888	0.2
121.02855	1.7
127.03905	3.9
129.10114	0.2
131.03349	0.3
131.04845	0.7
132.95772	0.7
144.55168	0.2
145.04878	0.4
147.04352	0.3
150.96910	0.8
155.04843	0.7
158.97324	0.2
162.96931	0.2
170.97353	0.3
171.04428	0.2
174.96848	0.5
176.98355	0.4
184.05191	0.2
186.96747	0.3
187.06010	2.3
188.98502	0.2
190.30884	0.2
192.95964	0.2
192.97859	0.6
195.04376	0.3
198.96782	0.3
200.98460	0.3
202.97922	0.3
208.98827	0.4
210.96626	0.2
213.05354	0.3
216.97824	0.3
220.98929	0.2
224.98506	0.3
228.99513	0.3
229.04875	0.5
232.98842	1.2
236.98425	0.3
241.04900	0.2
248.98401	0.2
251.00063	0.2
256.98831	0.2
257.04431	0.8
258.98795	0.4
260.98343	1.0
266.97446	1.3
275.00006	0.4
277.00082	1.1
278.99429	0.5
284.98431	8.9
285.99075	0.6
287.05484	2.9
288.05899	0.3
288.97830	0.3
300.97876	0.6
301.99429	0.2
302.99438	4.4
303.04819	0.2
304.40915	0.2
306.98859	0.3
308.00159	0.4
309.06158	0.2
310.96317	0.2
311.96954	0.3
312.97849	1.1
316.97357	0.6
318.98752	0.9
321.00369	0.4
326.01004	0.5
326.95792	0.3
328.97433	3.5
329.98157	0.9
330.98969	1.4
334.98407	0.3
339.97577	0.3
340.97278	6.7
343.96127	4.6
344.96634	0.9
346.98453	4.6
347.99100	0.3
348.99948	0.4
354.00531	0.3
354.95276	0.4
356.97186	0.4
357.99051	1.3
358.98441	81.5
359.98767	1.5
361.02545	1.7
370.98495	1.4
371.95563	3.2
372.96368	21.9
373.96872	0.3
374.97910	0.7
375.99442	5.6
376.99496	75.7
377.99796	1.5
379.03372	0.6
382.00055	7.9
382.98407	2.0
395.02789	0.4
396.96115	0.4
398.97656	1.4
399.98627	5.3
400.99503	5.1
403.02991	0.3
408.06070	0.4
409.00330	0.2
410.97961	3.0
411.98938	0.7
412.94574	0.1
412.99527	3.4
415.01047	1.2
416.99176	0.2
417.99829	4.6
419.00571	4.9
424.99451	3.4
427.01215	0.7
431.00565	0.5
436.99564	2.6
439.01050	0.6
441.01367	0.6
442.01318	0.6
443.00571	5.4
443.07004	0.2
448.99448	1.3
452.00983	0.2
455.00735	0.8
455.06317	0.4
460.99747	0.3
463.05087	0.4
464.08762	0.4
466.01990	0.4
467.00580	5.2
469.02240	0.2
473.01614	3.2
473.07629	0.4
484.02423	0.2
485.01639	3.9
490.02197	0.2
492.98721	0.6
503.02640	0.5
504.98111	0.4
509.01920	0.4
510.08710	0.3
513.10114	0.2
514.03033	0.2
526.03412	0.2
527.02588	2.8
529.06744	0.3
544.03998	0.7
545.03754	23.0
546.04443	0.3
563.04694	0.9
571.03101	1.3
581.01801	0.6
586.06519	0.4
597.00751	0.4
598.01892	0.7
599.02667	0.8
610.02301	0.5
625.01788	0.8
626.01581	6.4
627.02124	100.0
628.02399	2.6
668.04181	0.4
831.09534	0.3
1059.19080	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.0
51.02375	3.1
53.03945	24.6
55.01869	1.5
56.05037	2.7
56.96555	1.1
57.03435	0.6
57.05370	2.7
58.02960	0.9
58.06593	2.6
59.06115	4.5
60.04515	2.0
60.08164	3.9
60.95841	1.3
61.06520	0.5
61.19081	0.5
62.06084	6.3
65.55268	0.5
69.03414	1.6
71.56745	0.6
73.07661	1.3
74.06094	0.8
75.05589	0.8
77.03918	5.5
81.03412	2.8
85.02905	1.2
85.07662	1.6
86.06066	5.8
87.04469	4.2
95.04961	57.6
96.05308	0.9
98.98660	0.6
100.02460	0.6
102.04670	6.0
103.05462	100.0
103.08693	9.7
104.05790	1.4
104.10740	6.1
105.04501	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	102.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59881	0.3
53.03946	1.1
54.03473	0.8
55.01862	0.9
55.05511	1.3
56.00259	0.3
56.05029	37.1
56.96560	88.1
57.03423	0.8
57.05365	1.0
57.07074	0.5
58.06601	0.9
58.50531	1.6
58.96156	0.4
58.99868	0.5
59.06119	3.2
59.52202	0.8
59.96175	2.9
60.04522	4.0
60.05820	0.5
60.06471	1.8
60.95846	100.0
60.99606	2.9
61.00772	0.4
61.04866	0.6
62.06087	1.2
64.02205	0.7
66.03452	0.3
67.02988	0.9
67.51060	7.4
68.02634	0.5
68.52709	0.6
69.63687	2.4
70.01324	1.5
71.02985	1.4
71.95255	0.6
72.08141	0.4
74.02455	0.6
74.06079	2.0
74.52708	0.3
74.94881	0.5
74.97598	1.8
75.94534	3.5
76.51581	7.3
77.00895	0.8
77.02937	0.3
78.52967	0.7
78.96885	1.5
79.00654	2.7
79.01385	0.8
79.01847	14.6
79.02733	0.9
79.52003	0.8
80.03507	1.2
81.02893	0.4
81.03415	1.5
81.04530	0.9
82.01447	1.1
82.02946	0.5
82.05313	8.5
83.04985	0.6
83.05617	0.7
83.06096	10.6
84.01160	2.8
84.04494	7.1
84.06429	0.8
84.08137	1.9
85.02892	2.6
85.04846	0.4
85.07661	0.7
85.52094	1.0
85.53738	0.8
86.06061	0.9
88.02366	23.1
88.03158	2.2
88.51579	2.3
88.52548	0.9
89.04005	0.9
90.03324	0.4
90.52635	1.1
91.54283	2.6
95.01344	0.3
95.01923	0.5
95.04974	0.4
95.06067	0.6
96.04497	0.6
97.01704	1.0
97.02354	0.6
97.02883	14.3
97.06409	0.4
97.52091	1.4
97.53088	0.7
99.53133	2.0
99.54041	1.2
100.02467	9.8
100.03133	0.7
100.38136	0.3
100.52470	0.4
100.54817	0.9
101.02589	0.9
102.02225	41.1
102.05531	3.9
102.07454	0.6
102.09185	2.6
102.96857	5.0
103.00632	0.6
103.02540	0.4
103.08691	2.1
106.03413	1.3
108.53687	1.0
109.02312	0.7
115.01166	1.3
118.03510	8.8
119.01882	1.0
119.03637	1.0
119.98251	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	1018.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04978	8.6
79.05492	82.6
81.03409	32.5
81.07047	100.0
83.04974	28.7
83.08606	27.1
85.02896	15.8
85.06539	7.4
86.09690	8.3
88.17190	5.5
91.05472	82.9
93.07033	80.9
95.04959	31.2
95.08593	51.0
97.02927	10.9
97.06499	17.4
97.10161	33.7
105.07024	78.9
107.04941	24.6
107.08585	57.8
109.06509	13.9
109.10148	29.7
111.08123	5.8
117.07007	31.8
119.08568	49.9
121.06497	10.4
121.10140	29.4
123.11666	8.9
125.09643	21.5
127.03913	8.1
128.06163	6.0
129.06982	12.6
131.08549	42.9
133.10133	43.2
135.08060	13.8
135.11688	22.2
143.08517	12.4
145.06416	5.9
145.10118	31.7
147.11664	19.5
149.09621	25.7
149.13242	13.2
151.11163	9.5
157.10077	9.9
159.11678	33.3
161.13275	7.6
163.11148	21.6
169.10114	13.0
170.68336	6.2
171.11690	10.6
173.13213	12.3
177.12750	7.9
183.11633	6.4
185.13083	6.9
187.14748	5.9
189.11230	10.3
212.70171	5.7
213.16307	5.8
227.12778	37.5
239.17885	10.4
255.15845	11.3
257.18991	22.7
267.15982	10.9
269.17551	20.1
275.20078	73.0
293.21265	7.7
331.22784	8.7
349.23709	70.2
367.24930	8.0
382.49594	6.0
435.27261	7.0
449.29391	7.1
463.30490	15.3
519.32629	9.5
525.35583	7.5
527.37482	7.4
529.35614	12.1
543.36761	78.4
623.42792	28.8
641.43475	13.4
641.67047	5.9
766.42688	6.7
846.00647	6.3
1019.52234	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	1011.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06588	0.8
71.01363	0.4
71.04986	0.2
72.08146	0.2
73.02910	1.4
81.03407	3.7
83.01308	0.2
84.04511	0.1
84.08117	0.3
85.02893	5.5
86.09670	0.3
87.04435	0.1
87.11100	0.1
89.03912	0.2
95.04932	0.2
97.02884	2.4
98.20657	0.2
99.00784	0.1
99.04446	1.0
103.03925	0.3
107.01350	0.1
109.02871	2.3
110.07147	0.3
111.00807	0.5
111.04430	0.2
115.03922	0.3
117.03387	0.3
120.08069	0.1
121.02870	0.7
123.04440	0.5
127.03902	5.1
129.10123	0.2
131.04915	0.2
133.02913	0.1
133.04973	0.8
135.04361	0.7
137.02330	11.5
137.03401	1.0
138.02785	0.1
138.36998	0.1
145.02837	0.4
145.04948	1.6
147.04385	0.3
149.02335	0.6
153.01813	9.2
161.02357	0.5
161.05988	0.2
163.03889	3.8
165.01852	0.4
171.02895	0.6
171.04305	0.1
175.03918	0.5
177.01892	0.4
177.05453	0.4
179.03410	0.2
183.02858	0.2
184.80724	0.1
187.03992	0.5
187.05981	3.5
189.01863	0.4
189.05463	0.3
191.03419	0.2
195.02852	0.3
199.03957	0.3
201.05508	0.3
203.03381	1.5
205.04962	0.8
205.07079	2.8
207.02893	1.2
211.03889	0.1
213.05411	0.2
215.03424	0.3
216.04228	0.2
217.04912	0.8
219.02988	0.1
223.07600	0.1
227.03369	0.6
228.04211	0.4
229.04941	0.7
229.06920	0.1
231.02878	0.2
235.07425	0.1
239.03404	0.3
241.04861	0.2
243.02885	0.5
244.03801	0.2
245.04366	1.5
247.05928	0.1
251.06921	0.2
253.04958	0.1
255.02788	0.6
256.03650	0.2
257.04446	0.7
259.05948	0.2
263.07132	0.2
265.05023	0.3
267.02823	0.3
267.06631	0.1
269.04456	0.5
271.02298	1.3
273.03833	2.2
274.04727	0.3
275.07175	0.2
275.66425	0.1
277.04874	0.2
279.06601	0.3
281.04486	0.4
283.02365	0.4
283.06064	0.4
284.03342	0.3
285.03824	1.3
286.04572	0.1
287.02231	0.2
287.05273	0.5
291.06512	0.1
293.04550	0.3
294.05334	0.1
295.02774	0.2
295.06064	0.4
297.03912	2.8
298.04718	1.3
299.01929	0.2
299.05560	0.4
300.02402	0.1
301.03195	1.3
302.04166	1.0
303.04816	3.0
305.04419	0.2
306.05130	0.2
307.05994	0.8
309.04068	0.2
309.07458	0.2
311.05383	0.8
313.03326	1.6
313.07007	0.1
315.04910	2.0
317.04330	0.1
319.02579	0.2
319.05835	0.9
321.03970	0.4
321.07565	0.4
322.04782	0.1
323.05356	0.5
325.03531	0.9
325.06870	0.2
331.06058	0.4
333.04034	0.3
335.05399	0.8
337.03394	0.5
337.07166	0.4
339.04840	0.9
341.02808	0.1
341.06567	1.3
343.04633	0.3
346.04648	0.2
347.05545	1.3
348.06235	0.2
349.03528	0.2
349.07132	0.7
350.04092	0.2
351.05020	0.5
353.06689	0.3
357.07138	0.2
359.05460	0.2
361.03470	0.4
363.04953	0.8
364.05655	0.3
365.02698	0.1
365.06577	1.1
366.07443	0.2
367.04672	0.4
367.08545	0.2
369.02597	0.2
371.05399	0.2
374.04047	0.1
375.05075	0.7
376.05780	0.2
377.02432	0.2
377.06598	0.9
379.04306	0.6
380.05438	0.2
381.06302	0.5
382.06940	0.2
385.06857	0.3
389.06561	0.3
391.04520	0.4
391.12268	0.2
392.05206	1.3
393.02548	0.1
393.06183	1.3
394.06577	0.2
395.07581	0.5
403.04449	0.3
405.06125	0.4
407.03970	0.3
409.05621	0.7
410.06250	0.6
411.07141	0.4
413.06406	0.4
414.07587	0.1
417.05969	0.3
419.03427	0.2
419.08154	0.2
420.04739	0.2
421.05475	2.9
421.10788	0.2
422.06180	0.3
423.07397	0.7
431.03409	0.2
435.03604	0.4
437.05264	0.6
441.06250	0.3
443.07983	0.2
445.05417	0.7
449.05026	0.2
451.06586	1.0
453.04477	1.0
455.07388	0.3
459.07159	0.8
460.11816	0.1
461.11102	0.3
463.06821	0.4
465.04773	0.5
467.06244	0.1
469.05527	0.5
483.06985	0.6
487.06598	2.4
501.07999	0.7
505.07776	0.2
511.06659	1.1
512.06708	0.1
515.06207	0.7
519.08936	0.2
529.07587	2.1
539.06171	0.4
543.05756	0.2
547.08594	4.3
548.08954	0.3
557.06995	0.6
574.07452	0.5
575.08478	1.3
585.06543	0.3
603.07611	100.0
604.07983	3.4
627.07990	0.8
645.08704	0.5
669.08862	0.8
676.15631	0.1
693.08118	0.3
711.09534	0.5
789.12543	0.2
953.34955	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	1011.203
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06576	0.3
71.01345	0.1
71.04977	0.3
73.02914	1.2
81.03410	3.2
83.01324	0.3
85.02895	5.5
87.04417	0.1
89.03886	0.2
95.04958	0.2
96.12424	0.1
97.02886	2.5
99.00775	0.2
99.04440	0.9
101.02324	0.1
103.03943	0.3
105.03379	0.1
107.04961	0.2
109.02866	2.4
111.00810	0.3
111.04441	0.2
115.03907	0.4
121.02867	0.7
123.04440	0.3
127.03905	4.5
129.01947	0.1
133.04926	0.6
135.04442	0.6
136.19603	0.1
137.02335	10.5
137.03392	0.8
139.03888	0.1
145.02866	0.5
145.04944	1.6
147.04388	0.2
149.02327	0.5
153.01817	8.9
161.02371	0.5
161.06046	0.2
163.03902	3.0
165.01909	0.3
169.04962	0.2
171.02910	0.6
171.04327	0.2
175.03957	0.3
177.01814	0.3
177.05472	0.2
179.03494	0.1
183.02814	0.1
187.04108	0.3
187.05991	3.0
189.01871	0.3
189.05438	0.3
191.03395	0.2
192.94055	0.1
193.01282	0.1
195.02931	0.3
199.03958	0.2
200.04643	0.2
201.05453	0.1
203.03380	1.6
205.04970	0.6
205.07082	1.8
207.02856	1.1
211.03911	0.2
213.05434	0.2
215.03391	0.3
216.04294	0.2
217.04851	0.8
227.03375	0.4
228.04187	0.1
228.49702	0.1
229.04924	0.4
231.02905	0.2
231.79823	0.1
239.03487	0.3
241.04807	0.2
243.02910	0.5
244.03697	0.3
245.04332	1.2
247.01640	0.2
251.07092	0.1
253.04829	0.1
255.02953	0.5
256.03738	0.2
257.04364	0.5
259.02325	0.1
259.06082	0.2
261.03577	0.3
263.01138	0.2
263.07175	0.2
265.05063	0.2
266.05731	0.1
267.03055	0.2
267.06488	0.1
269.04572	0.5
271.02338	1.2
273.03860	2.1
274.04532	0.2
279.03766	0.1
279.06546	0.6
281.04486	0.2
283.02426	0.4
283.06085	0.3
284.03247	0.3
285.03864	1.4
286.04648	0.2
287.01843	0.1
287.05511	0.4
289.02670	0.1
291.06445	0.2
291.52200	0.1
293.04480	0.4
295.02625	0.2
295.06058	0.4
297.03903	3.4
298.04660	1.3
299.02051	0.1
299.05591	0.4
301.03214	0.9
302.04407	0.4
303.04691	1.4
305.01962	0.5
307.06070	0.4
308.06891	0.1
309.04080	0.2
311.02310	0.1
311.05426	0.7
313.03348	1.5
314.04010	0.2
315.04926	1.5
317.04517	0.2
318.05157	0.2
319.06122	0.6
321.03922	0.5
321.07626	0.3
323.05496	0.5
325.03506	0.9
331.05972	0.5
333.03836	0.2
333.07507	0.2
335.01840	0.2
335.05301	0.7
336.06155	0.1
337.03421	0.4
337.07190	0.4
339.04922	1.0
341.02774	0.2
341.06509	1.5
343.04221	0.2
346.04773	0.2
347.05560	1.3
348.06219	0.2
349.03320	0.2
349.07047	0.5
350.04089	0.2
351.04956	0.5
353.06738	0.3
359.05521	0.1
361.04181	0.4
363.04904	0.9
364.05627	0.3
365.06546	1.3
366.07275	0.4
367.04208	0.5
367.08493	0.2
369.02557	0.2
369.07111	0.2
375.04852	1.0
376.05734	0.2
377.06659	1.1
379.04953	1.0
380.05069	0.2
381.06125	0.7
382.06879	0.2
385.06866	0.4
389.06769	0.2
391.04376	0.5
392.05206	1.7
393.02249	0.2
393.06161	1.8
394.06616	0.2
395.07996	0.7
397.06857	0.3
403.04636	0.4
405.06073	0.8
407.04062	0.3
408.04715	0.2
409.05423	0.7
410.06326	0.8
411.07217	0.5
413.06583	0.3
417.06003	0.3
419.03445	0.2
419.08127	0.2
421.05548	4.7
422.06198	0.3
423.07269	1.1
425.05298	0.2
427.06601	0.2
431.03290	0.7
437.04987	0.6
439.08157	0.2
441.05969	0.3
443.07480	0.2
445.05270	0.5
449.05182	0.4
451.06607	1.7
453.04541	0.8
455.07428	0.5
459.07150	0.8
463.07959	1.3
465.05380	0.2
467.07266	0.2
469.05573	0.4
483.07184	0.5
487.06604	2.2
497.04752	0.2
501.08032	0.7
505.07315	0.2
511.06625	0.8
515.06165	0.6
519.09412	0.2
529.07654	2.1
539.06036	0.2
543.05444	0.2
547.08673	4.0
548.09167	0.2
557.07153	0.6
574.07172	0.6
575.08221	1.3
585.06549	0.4
603.07629	100.0
604.08002	3.8
627.07672	0.7
645.08698	0.4
648.13367	0.1
669.08490	0.8
672.88074	0.1
693.08435	0.2
711.09796	0.4
817.64606	0.1
849.62817	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	101.0601
Annotation	2-Ethylacrylic acid
Peak:m/z	Relative Intensity
51.02398	1.3
51.99939	0.5
53.00301	1.2
53.03945	43.2
55.01880	1.4
55.05508	100.0
56.05037	6.0
56.05851	1.2
56.96565	3.9
57.03431	4.4
57.05817	0.6
58.06605	2.9
58.96189	0.6
58.99855	1.5
59.05000	7.3
59.06122	14.5
60.04530	1.9
60.95849	2.8
64.21220	0.6
65.03964	0.7
65.52196	1.2
69.01908	0.9
70.21035	2.7
71.04990	37.1
72.08143	4.7
73.02937	0.9
73.06556	1.9
74.02458	1.0
74.06087	0.8
74.52728	0.8
77.00894	2.2
80.02946	1.0
80.52699	4.4
81.02783	0.8
81.03424	0.6
82.01463	1.7
83.04975	71.2
84.04501	2.7
84.05322	1.4
84.06889	0.7
84.08144	2.2
85.02898	1.1
85.53731	0.6
87.53493	1.3
89.03451	2.8
90.03316	0.5
91.53716	0.8
95.01924	1.0
95.18514	0.6
98.03997	1.9
98.97637	0.5
100.02473	15.4
100.54184	0.7
101.00893	2.8
101.02523	3.1
101.06013	11.4
101.06567	0.8
101.07159	2.1
101.07917	0.7
102.02236	1.8
102.05558	1.5
102.09207	1.9
103.02464	1.3
115.02462	1.9
118.03512	9.7
118.04267	0.6
119.01920	13.2
119.03625	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50811	0.9
53.03924	2.9
53.70658	1.0
55.05516	7.1
56.05035	16.7
56.96568	11.6
57.03414	3.0
57.04528	2.7
57.70291	0.9
58.06581	1.3
58.96142	4.1
58.99851	2.4
59.04982	1.1
59.06121	28.7
59.06570	1.3
59.96146	1.1
59.99916	1.5
60.04523	10.4
60.95852	11.8
60.99606	1.8
71.04992	1.8
71.18156	1.9
74.06052	1.3
77.00862	2.4
78.00964	1.6
78.52993	1.0
79.00635	1.6
79.01859	2.1
80.52679	2.5
82.01411	3.2
82.99843	1.1
83.01490	5.9
83.04993	5.1
83.06068	2.7
84.01163	3.1
84.04478	4.0
89.03433	1.9
91.53711	2.0
98.04026	1.1
100.02473	15.6
101.00269	1.2
101.00873	13.5
101.02544	35.6
101.03265	1.7
101.07128	6.6
102.00969	1.1
102.01617	1.3
102.02230	18.5
102.02863	2.2
103.02419	1.6
103.12972	1.1
112.84234	0.9
118.03513	9.5
119.01917	100.0
119.03614	27.1
END